| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 59.1 | Low | 196 Ų | 196 | 107.8 Ų | 107.8 | 97% | 0.966 | 57% | 0.567 | S | S | * | * | 0 | 117.7 | 0 | -159 | 178.1 | -155.7 | 0 | 0 | 104.6 | D3 L6 | M1-D3 PolarHBondContact O-N 3.46Å; M1-L6 HydrophobicContact CB-CD1 4.24Å; M1-L6 HydrophobicContact CG-CD1 3.86Å; M1-L6 HydrophobicContact SD-CD1 3.71Å | |||
| 2 | D | 40.3 | Very low | 61 | Low | 121 Ų | 121 | 100.8 Ų | 100.8 | 65% | 0.647 | 53% | 0.527 | S | S | * | . | trans | -70.7 | 133.1 | -170 | -55.1 | -42.6 | 0 | 0 | 0 | 109.8 | L4 D5 | D2-L4 PolarHBondContact O-N 3.24Å; D2-D5 PolarHBondContact O-N 3.35Å | ||
| 3 | D | 53.5 | Low | 62.8 | Low | 85 Ų | 85 | 102.2 Ų | 102.2 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -13.6 | -174.4 | -81.1 | 1.4 | 0 | 0 | 0 | 112.5 | M1 R96 | M1-D3 PolarHBondContact O-N 3.46Å; D3-R96 IonicContact OD1-CZ 3.66Å; D3-R96 IonicContact OD1-NH1 2.86Å; D3-R96 PolarHBondContact OD1-NH1 3.26Å; D3-R96 IonicContact OD1-NH2 3.36Å; D3-R96 IonicContact OD2-CZ 2.65Å; D3-R96 IonicContact OD2-NH1 2.66Å; D3-R96 PolarHBondContact OD2-NH1 3.04Å; D3-R96 IonicContact OD2-NH2 2.78Å; D3-R96 PolarHBondContact OD2-NH2 3.44Å |
| 4 | L | 54 | Low | 64.5 | Low | 150 Ų | 150 | 99.1 Ų | 99.1 | 79% | 0.785 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24.3 | 174.4 | -73.1 | 157.7 | 0 | 0 | 0 | 115 | D2 | D2-L4 PolarHBondContact O-N 3.24Š|
| 5 | D | 55.4 | Low | 66.2 | Low | 85 Ų | 85 | 92.5 Ų | 92.5 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -25.6 | -175.5 | -97.4 | -29 | 0 | 0 | 0 | 114.4 | D2 P7 K8 | D2-D5 PolarHBondContact O-N 3.35Å; D5-P7 VanDerWaalsContact C-N 3.3Å; D5-K8 WeakPolarHBondContact O-CB 3.37Å; D5-K8 PolarHBondContact O-N 3.16Å; D5-K8 VanDerWaalsContact O-N 3.11Å; D5-K8 WeakPolarHBondContact OD1-CD 3.38Å; D5-K8 VanDerWaalsContact OD1-CE 3.32Å; D5-K8 WeakPolarHBondContact OD1-CE 3.45Å; D5-K8 IonicContact OD1-NZ 2.64Å; D5-K8 PolarHBondContact OD1-NZ 3.24Å |
| 6 | L | 60.4 | Low | 67.5 | Low | 18 Ų | 18 | 89.5 Ų | 89.5 | 9% | 0.094 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -47.4 | -43.3 | 173.9 | -95 | 74.4 | 0 | 0 | 0 | 113.9 | M1 K8 D9 Y12 Y54 | M1-L6 HydrophobicContact CB-CD1 4.24Å; M1-L6 HydrophobicContact CG-CD1 3.86Å; M1-L6 HydrophobicContact SD-CD1 3.71Å; L6-K8 PolarHBondContact O-N 3.28Å; L6-D9 PolarHBondContact O-N 3.23Å; L6-Y12 HydrophobicContact CB-CD1 4.07Å; L6-Y12 HydrophobicContact CB-CE1 3.97Å; L6-Y12 HydrophobicContact CD2-CE2 4.3Å; L6-Y12 WeakPolarHBondContact O-CD1 3.47Å; L6-Y54 HydrophobicContact CD2-CD1 3.85Å; L6-Y54 HydrophobicContact CD2-CG 4.17Å |
| 7 | P | 59.2 | Low | 68.8 | Low | 68 Ų | 68 | 87.6 Ų | 87.6 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -59.3 | -8.6 | -178.5 | -26.3 | 36.2 | 0 | 0 | 0 | 116 | D5 K13 | D5-P7 VanDerWaalsContact C-N 3.3Å; P7-K13 WeakPolarHBondContact O-CE 3.31Å |
| 8 | K | 58.5 | Low | 70.1 | Confident | 148 Ų | 148 | 86 Ų | 86 | 64% | 0.643 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -88.4 | -28.4 | -179.4 | -62.8 | 170.8 | -172.5 | 168.1 | 0 | 113.1 | D5 L6 A10 | D5-K8 WeakPolarHBondContact O-CB 3.37Å; D5-K8 PolarHBondContact O-N 3.16Å; D5-K8 VanDerWaalsContact O-N 3.11Å; D5-K8 WeakPolarHBondContact OD1-CD 3.38Å; D5-K8 VanDerWaalsContact OD1-CE 3.32Å; D5-K8 WeakPolarHBondContact OD1-CE 3.45Å; D5-K8 IonicContact OD1-NZ 2.64Å; D5-K8 PolarHBondContact OD1-NZ 3.24Å; L6-K8 PolarHBondContact O-N 3.28Å; K8-A10 PolarHBondContact O-N 3.37Å |
| 9 | D | 71.8 | Confident | 71.2 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | trans | -69.4 | 129.2 | -177.4 | -172.9 | -3.2 | 0 | 0 | 0 | 112.2 | L6 K11 Y12 K13 | L6-D9 PolarHBondContact O-N 3.23Å; D9-K11 VanDerWaalsContact C-N 3.26Å; D9-K11 PolarHBondContact O-N 3.06Å; D9-K11 PolarHBondContact OD1-N 3.17Å; D9-Y12 PolarHBondContact O-N 3.48Å; D9-K13 WeakPolarHBondContact O-CG 3.49Å; D9-K13 PolarHBondContact O-N 2.93Å | ||
| 10 | A | 78.8 | Confident | 72.2 | Confident | 76 Ų | 76 | 79.7 Ų | 79.7 | 63% | 0.628 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.4 | -31.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K8 S14 | K8-A10 PolarHBondContact O-N 3.37Å; A10-S14 PolarHBondContact O-N 3.35Å |
| 11 | K | 80 | Confident | 73.1 | Confident | 160 Ų | 160 | 84 Ų | 84 | 70% | 0.696 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.6 | -46 | 174.5 | -63.8 | 172 | -177 | 165.7 | 0 | 111 | D9 K13 S14 F15 | D9-K11 VanDerWaalsContact C-N 3.26Å; D9-K11 PolarHBondContact O-N 3.06Å; D9-K11 PolarHBondContact OD1-N 3.17Å; K11-K13 PolarHBondContact O-N 3.26Å; K11-S14 WeakPolarHBondContact O-CB 3.43Å; K11-S14 PolarHBondContact O-N 3.1Å; K11-S14 VanDerWaalsContact O-N 3.15Å; K11-F15 PolarHBondContact O-N 3.43Å |
| 12 | Y | 81.9 | Confident | 75.5 | Confident | 24 Ų | 24 | 75 Ų | 75 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 177.1 | -176.1 | -120.1 | 0 | 0 | 0 | 112 | L6 D9 S14 F15 I16 Y54 P56 | L6-Y12 HydrophobicContact CB-CD1 4.07Å; L6-Y12 HydrophobicContact CB-CE1 3.97Å; L6-Y12 HydrophobicContact CD2-CE2 4.3Å; L6-Y12 WeakPolarHBondContact O-CD1 3.47Å; D9-Y12 PolarHBondContact O-N 3.48Å; Y12-S14 VanDerWaalsContact C-N 3.33Å; Y12-S14 PolarHBondContact O-N 2.95Å; Y12-F15 PolarHBondContact O-N 2.99Å; Y12-I16 HydrophobicContact CD1-CD1 3.83Å; Y12-I16 HydrophobicContact CE1-CD1 3.63Å; Y12-I16 HydrophobicContact CE1-CG1 4.32Å; Y12-I16 HydrophobicContact CE2-CG1 4.41Å; Y12-I16 HydrophobicContact CG-CD1 4.41Å; Y12-I16 WeakPolarHBondContact O-CG1 3.38Å; Y12-I16 PolarHBondContact O-N 3.09Å; Y12-Y54 HydrophobicContact CE2-CD1 4.03Å; Y12-Y54 WeakPolarHBondContact OH-CE1 3.41Å; Y12-P56 HydrophobicContact CE2-CB 3.81Å; Y12-P56 HydrophobicContact CE2-CG 4.18Å |
| 13 | K | 83.9 | Confident | 78 | Confident | 118 Ų | 118 | 69.7 Ų | 69.7 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 170.8 | -70.2 | 178.4 | -173.8 | 177.3 | 0 | 112.9 | P7 D9 K11 A17 | P7-K13 WeakPolarHBondContact O-CE 3.31Å; D9-K13 WeakPolarHBondContact O-CG 3.49Å; D9-K13 PolarHBondContact O-N 2.93Å; K11-K13 PolarHBondContact O-N 3.26Å; K13-A17 PolarHBondContact O-N 3.45Å; K13-A17 VanDerWaalsContact O-N 3.12Å |
| 14 | S | 86.6 | Confident | 79.7 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 173.6 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | A10 K11 Y12 A17 Q18 | A10-S14 PolarHBondContact O-N 3.35Å; K11-S14 WeakPolarHBondContact O-CB 3.43Å; K11-S14 PolarHBondContact O-N 3.1Å; K11-S14 VanDerWaalsContact O-N 3.15Å; Y12-S14 VanDerWaalsContact C-N 3.33Å; Y12-S14 PolarHBondContact O-N 2.95Å; S14-A17 PolarHBondContact O-N 2.69Å; S14-Q18 VanDerWaalsContact O-CG 3.28Å; S14-Q18 WeakPolarHBondContact O-CG 3.16Å; S14-Q18 PolarHBondContact O-N 3.21Å; S14-Q18 PolarHBondContact O-NE2 3.08Å; S14-Q18 PolarHBondContact OG-NE2 3.48Å |
| 15 | F | 89.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.2 | -173.5 | -161.8 | 0 | 0 | 0 | 111.9 | K11 Y12 A17 Q18 V19 V45 I46 N49 C52 Y54 P56 | K11-F15 PolarHBondContact O-N 3.43Å; Y12-F15 PolarHBondContact O-N 2.99Å; F15-A17 VanDerWaalsContact C-N 3.32Å; F15-A17 PolarHBondContact O-N 3.16Å; F15-Q18 PolarHBondContact O-N 3.44Å; F15-V19 HydrophobicContact CD2-CG2 3.78Å; F15-V19 HydrophobicContact CE2-CG2 3.57Å; F15-V19 HydrophobicContact CZ-CG2 4.42Å; F15-V19 WeakPolarHBondContact O-CB 3.21Å; F15-V19 WeakPolarHBondContact O-CG2 3.33Å; F15-V19 PolarHBondContact O-N 2.82Å; F15-V45 HydrophobicContact CD2-CG1 4.18Å; F15-V45 HydrophobicContact CE2-CG1 4.01Å; F15-V45 WeakPolarHBondContact CE2-O 3.23Å; F15-I46 HydrophobicContact CZ-CG1 4.46Å; F15-N49 HydrophobicContact CB-CB 4.34Å; F15-N49 HydrophobicContact CD1-CB 3.72Å; F15-N49 HydrophobicContact CD2-CB 3.56Å; F15-N49 WeakPolarHBondContact CD2-ND2 3.35Å; F15-N49 HydrophobicContact CE1-CB 3.76Å; F15-N49 HydrophobicContact CE2-CB 3.63Å; F15-N49 HydrophobicContact CG-CB 3.62Å; F15-N49 HydrophobicContact CZ-CB 3.73Å; F15-C52 HydrophobicContact CD1-CB 4.15Å; F15-C52 HydrophobicContact CE1-CB 4.23Å; F15-Y54 WeakPolarHBondContact CE1-O 3.3Å; F15-P56 HydrophobicContact CD1-CG 3.89Å; F15-P56 HydrophobicContact CD2-CG 4.29Å; F15-P56 HydrophobicContact CE1-CG 4.11Å; F15-P56 HydrophobicContact CE2-CG 4.47Å; F15-P56 HydrophobicContact CG-CG 3.99Å; F15-P56 HydrophobicContact CZ-CG 4.39Å |
| 16 | I | 88.3 | Confident | 83 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 23% | 0.226 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.4 | -49.6 | 171.4 | -68 | 161.6 | 0 | 0 | 0 | 110.4 | Y12 Q18 V19 D20 P56 | Y12-I16 HydrophobicContact CD1-CD1 3.83Å; Y12-I16 HydrophobicContact CE1-CD1 3.63Å; Y12-I16 HydrophobicContact CE1-CG1 4.32Å; Y12-I16 HydrophobicContact CE2-CG1 4.41Å; Y12-I16 HydrophobicContact CG-CD1 4.41Å; Y12-I16 WeakPolarHBondContact O-CG1 3.38Å; Y12-I16 PolarHBondContact O-N 3.09Å; I16-Q18 PolarHBondContact O-N 3.38Å; I16-V19 PolarHBondContact O-N 3.33Å; I16-D20 WeakPolarHBondContact CG2-OD2 3.3Å; I16-D20 PolarHBondContact O-N 3.41Å; I16-P56 HydrophobicContact CB-CB 4.46Å; I16-P56 HydrophobicContact CG1-CB 3.53Å; I16-P56 HydrophobicContact CG1-CG 4.09Å |
| 17 | A | 89.5 | Confident | 84.1 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K13 S14 F15 K21 | K13-A17 PolarHBondContact O-N 3.45Å; K13-A17 VanDerWaalsContact O-N 3.12Å; S14-A17 PolarHBondContact O-N 2.69Å; F15-A17 VanDerWaalsContact C-N 3.32Å; F15-A17 PolarHBondContact O-N 3.16Å; A17-K21 WeakPolarHBondContact O-CB 3.47Å; A17-K21 PolarHBondContact O-N 3.37Å |
| 18 | Q | 91.4 | Very high | 85.3 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.8 | -39.5 | 173.9 | -67.5 | 166.3 | 42 | 0 | 0 | 111.8 | S14 F15 I16 K21 S22 V45 N49 | S14-Q18 VanDerWaalsContact O-CG 3.28Å; S14-Q18 WeakPolarHBondContact O-CG 3.16Å; S14-Q18 PolarHBondContact O-N 3.21Å; S14-Q18 PolarHBondContact O-NE2 3.08Å; S14-Q18 PolarHBondContact OG-NE2 3.48Å; F15-Q18 PolarHBondContact O-N 3.44Å; I16-Q18 PolarHBondContact O-N 3.38Å; Q18-K21 PolarHBondContact O-N 3.08Å; Q18-S22 PolarHBondContact O-N 3.49Å; Q18-S22 VanDerWaalsContact O-N 3.09Å; Q18-S22 PolarHBondContact O-OG 2.92Å; Q18-V45 HydrophobicContact CB-CG1 3.63Å; Q18-V45 HydrophobicContact CB-CG2 4.24Å; Q18-N49 PolarHBondContact OE1-ND2 3.22Å |
| 19 | V | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 174.6 | 164.8 | 0 | 0 | 0 | 0 | 110.9 | F15 I16 K21 S22 L23 V45 P56 I61 | F15-V19 HydrophobicContact CD2-CG2 3.78Å; F15-V19 HydrophobicContact CE2-CG2 3.57Å; F15-V19 HydrophobicContact CZ-CG2 4.42Å; F15-V19 WeakPolarHBondContact O-CB 3.21Å; F15-V19 WeakPolarHBondContact O-CG2 3.33Å; F15-V19 PolarHBondContact O-N 2.82Å; I16-V19 PolarHBondContact O-N 3.33Å; V19-K21 VanDerWaalsContact C-N 3.35Å; V19-K21 PolarHBondContact O-N 3.32Å; V19-S22 CarbonylContact O-C 3.15Å; V19-S22 WeakPolarHBondContact O-CA 3.49Å; V19-S22 WeakPolarHBondContact O-CB 3.39Å; V19-S22 PolarHBondContact O-N 2.92Å; V19-L23 HydrophobicContact CG1-CD1 3.72Å; V19-L23 HydrophobicContact CG1-CG 4.11Å; V19-L23 WeakPolarHBondContact O-CB 3.44Å; V19-L23 WeakPolarHBondContact O-CG 3.32Å; V19-L23 PolarHBondContact O-N 3.34Å; V19-V45 HydrophobicContact CG2-CG1 3.8Å; V19-P56 HydrophobicContact CB-CG 4.33Å; V19-P56 HydrophobicContact CG2-CG 4.01Å; V19-I61 HydrophobicContact CG1-CD1 3.9Å; V19-I61 HydrophobicContact CG1-CG1 4.46Å |
| 20 | D | 90.9 | Very high | 87.2 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58 | -44.4 | 173.8 | -87 | -50.8 | 0 | 0 | 0 | 112.3 | I16 S22 L23 K24 R57 | I16-D20 WeakPolarHBondContact CG2-OD2 3.3Å; I16-D20 PolarHBondContact O-N 3.41Å; D20-S22 PolarHBondContact O-N 3.36Å; D20-L23 PolarHBondContact O-N 3.45Å; D20-K24 WeakPolarHBondContact O-CG 3.41Å; D20-K24 PolarHBondContact O-N 3.15Å; D20-R57 VanDerWaalsContact CG-NH2 3.34Å; D20-R57 WeakPolarHBondContact OD1-CD 3.4Å; D20-R57 IonicContact OD1-CZ 3.2Å; D20-R57 IonicContact OD1-NE 3.49Å; D20-R57 PolarHBondContact OD1-NE 3.49Å; D20-R57 IonicContact OD1-NH2 2.95Å; D20-R57 PolarHBondContact OD1-NH2 3.04Å; D20-R57 VanDerWaalsContact OD1-NH2 3.15Å; D20-R57 IonicContact OD2-CZ 3.93Å; D20-R57 VanDerWaalsContact OD2-CZ 3.25Å; D20-R57 IonicContact OD2-NE 3.93Å; D20-R57 PolarHBondContact OD2-NE 3.13Å; D20-R57 IonicContact OD2-NH2 3.92Å; D20-R57 PolarHBondContact OD2-NH2 3.07Å |
| 21 | K | 90.7 | Very high | 87.6 | Confident | 171 Ų | 171 | 71 Ų | 71 | 74% | 0.743 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.4 | -29.9 | 175.3 | -171.9 | 175.6 | -179.6 | 179.8 | 0 | 112.5 | A17 Q18 V19 | A17-K21 WeakPolarHBondContact O-CB 3.47Å; A17-K21 PolarHBondContact O-N 3.37Å; Q18-K21 PolarHBondContact O-N 3.08Å; V19-K21 VanDerWaalsContact C-N 3.35Å; V19-K21 PolarHBondContact O-N 3.32Å |
| 22 | S | 90.6 | Very high | 88 | Confident | 7 Ų | 7 | 69.7 Ų | 69.7 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -80.4 | -44.2 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | Q18 V19 D20 K24 S25 | Q18-S22 PolarHBondContact O-N 3.49Å; Q18-S22 VanDerWaalsContact O-N 3.09Å; Q18-S22 PolarHBondContact O-OG 2.92Å; V19-S22 CarbonylContact O-C 3.15Å; V19-S22 WeakPolarHBondContact O-CA 3.49Å; V19-S22 WeakPolarHBondContact O-CB 3.39Å; V19-S22 PolarHBondContact O-N 2.92Å; D20-S22 PolarHBondContact O-N 3.36Å; S22-K24 VanDerWaalsContact C-N 3.33Å; S22-K24 PolarHBondContact O-N 2.81Å; S22-S25 WeakPolarHBondContact O-CB 3.22Å; S22-S25 PolarHBondContact O-N 3.46Å; S22-S25 PolarHBondContact O-OG 3.13Å |
| 23 | L | 91.2 | Very high | 88.4 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 178.5 | -76.1 | 174 | 0 | 0 | 0 | 112.2 | V19 D20 S25 F26 R57 V60 I61 R64 | V19-L23 HydrophobicContact CG1-CD1 3.72Å; V19-L23 HydrophobicContact CG1-CG 4.11Å; V19-L23 WeakPolarHBondContact O-CB 3.44Å; V19-L23 WeakPolarHBondContact O-CG 3.32Å; V19-L23 PolarHBondContact O-N 3.34Å; D20-L23 PolarHBondContact O-N 3.45Å; L23-S25 PolarHBondContact O-N 3.41Å; L23-S25 VanDerWaalsContact O-N 3.13Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 3.46Å; L23-R57 HydrophobicContact CD1-CB 4.23Å; L23-V60 HydrophobicContact CD1-CB 4.19Å; L23-V60 HydrophobicContact CD1-CG1 3.96Å; L23-V60 HydrophobicContact CD2-CG1 4.15Å; L23-I61 HydrophobicContact CD1-CG1 4.39Å; L23-I61 HydrophobicContact CD2-CG1 3.95Å; L23-R64 HydrophobicContact CD2-CG 4.12Å |
| 24 | K | 89.7 | Confident | 88.8 | Confident | 120 Ų | 120 | 67.2 Ų | 67.2 | 52% | 0.522 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -55.3 | -28.3 | 171.9 | -76.9 | -177 | 177 | -170.1 | 0 | 113.5 | D20 S22 F26 E27 Y28 | D20-K24 WeakPolarHBondContact O-CG 3.41Å; D20-K24 PolarHBondContact O-N 3.15Å; S22-K24 VanDerWaalsContact C-N 3.33Å; S22-K24 PolarHBondContact O-N 2.81Å; K24-F26 VanDerWaalsContact C-N 3.27Å; K24-F26 PolarHBondContact O-N 3.1Å; K24-E27 WeakPolarHBondContact O-CB 3.29Å; K24-E27 PolarHBondContact O-N 3.15Å; K24-Y28 WeakPolarHBondContact O-CD2 3.31Å |
| 25 | S | 87.8 | Confident | 89.1 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -71.3 | -20.5 | 178.5 | 71.5 | 0 | 0 | 0 | 0 | 114.1 | S22 L23 E27 S29 A38 R41 | S22-S25 WeakPolarHBondContact O-CB 3.22Å; S22-S25 PolarHBondContact O-N 3.46Å; S22-S25 PolarHBondContact O-OG 3.13Å; L23-S25 PolarHBondContact O-N 3.41Å; L23-S25 VanDerWaalsContact O-N 3.13Å; S25-E27 VanDerWaalsContact C-N 3.26Å; S25-S29 PolarHBondContact O-N 2.87Å; S25-S29 PolarHBondContact O-OG 2.71Å; S25-A38 VanDerWaalsContact OG-CB 3.31Å; S25-A38 WeakPolarHBondContact OG-CB 3.48Å; S25-R41 VanDerWaalsContact CB-CZ 3.44Å |
| 26 | F | 90.5 | Very high | 89.3 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -77.7 | -9.1 | 169.3 | -63.2 | -96.3 | 0 | 0 | 0 | 113 | L23 K24 L35 A38 L39 L42 R64 | L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 3.46Å; K24-F26 VanDerWaalsContact C-N 3.27Å; K24-F26 PolarHBondContact O-N 3.1Å; F26-L35 HydrophobicContact CD1-CD2 4.09Å; F26-A38 HydrophobicContact CD1-CB 3.89Å; F26-A38 HydrophobicContact CD2-CB 3.83Å; F26-A38 HydrophobicContact CE1-CB 3.75Å; F26-A38 HydrophobicContact CE2-CB 3.69Å; F26-A38 HydrophobicContact CG-CB 3.94Å; F26-A38 HydrophobicContact CZ-CB 3.65Å; F26-L39 HydrophobicContact CE1-CD2 4Å; F26-L39 HydrophobicContact CE1-CG 4Å; F26-L39 HydrophobicContact CZ-CD2 3.94Å; F26-L39 HydrophobicContact CZ-CG 4.08Å; F26-L42 HydrophobicContact CE2-CB 4.47Å; F26-L42 HydrophobicContact CE2-CD2 4.2Å; F26-L42 HydrophobicContact CZ-CD2 4.2Å; F26-R64 HydrophobicContact CB-CG 4.28Å; F26-R64 HydrophobicContact CD1-CB 4.24Å; F26-R64 HydrophobicContact CE1-CB 4.44Å; F26-R64 HydrophobicContact CG-CB 4.4Å; F26-R64 HydrophobicContact CG-CG 4.25Å |
| 27 | E | 85.2 | Confident | 89.5 | Confident | 119 Ų | 119 | 69.1 Ų | 69.1 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -23.3 | 178.1 | -66.3 | 170.7 | 164.9 | 0 | 0 | 112.4 | K24 S25 R64 | K24-E27 WeakPolarHBondContact O-CB 3.29Å; K24-E27 PolarHBondContact O-N 3.15Å; S25-E27 VanDerWaalsContact C-N 3.26Å; E27-R64 VanDerWaalsContact CG-NH2 3.25Å; E27-R64 IonicContact OE1-NH2 2.73Å |
| 28 | Y | 83.5 | Confident | 89.6 | Confident | 182 Ų | 182 | 66.3 Ų | 66.3 | 71% | 0.714 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -103.8 | 9.3 | 174.4 | -55.2 | -74.5 | 0 | 0 | 0 | 113.2 | K24 T30 | K24-Y28 WeakPolarHBondContact O-CD2 3.31Å; Y28-T30 PolarHBondContact O-N 2.95Å |
| 29 | S | 84.9 | Confident | 89.7 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | trans | -75.2 | 114.2 | 177.6 | -66.5 | 0 | 0 | 0 | 0 | 110 | S25 D34 | S25-S29 PolarHBondContact O-N 2.87Å; S25-S29 PolarHBondContact O-OG 2.71Å; S29-D34 WeakPolarHBondContact OG-CB 3.3Å | ||
| 30 | T | 85.8 | Confident | 89.9 | Confident | 131 Ų | 131 | 64.4 Ų | 64.4 | 80% | 0.804 | 32% | 0.323 | S | S | * | . | trans | -100.6 | -27.7 | 176.6 | 39.9 | 0 | 0 | 0 | 0 | 112.5 | Y28 D34 | Y28-T30 PolarHBondContact O-N 2.95Å; T30-D34 PolarHBondContact N-OD2 3.24Å; T30-D34 PolarHBondContact OG1-OD2 2.95Å | ||
| 31 | E | 86.4 | Confident | 90 | Very high | 128 Ų | 128 | 67.9 Ų | 67.9 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -120.7 | 161.7 | 178.8 | -64.1 | -171.8 | -170.9 | 0 | 0 | 112.2 | A33 D34 | E31-A33 PolarHBondContact O-N 3.37Å; E31-D34 PolarHBondContact N-OD2 3.44Å; E31-D34 WeakPolarHBondContact O-CB 3.43Å; E31-D34 PolarHBondContact O-N 3.08Å |
| 32 | W | 87.9 | Confident | 90.2 | Very high | 132 Ų | 132 | 59.7 Ų | 59.7 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -24.4 | 177.2 | 60.8 | -94.9 | 0 | 0 | 0 | 113 | D34 L35 I36 L73 P74 V77 | W32-D34 VanDerWaalsContact C-N 3.35Å; W32-L35 WeakPolarHBondContact O-CB 3.31Å; W32-L35 PolarHBondContact O-N 3.48Å; W32-I36 HydrophobicContact CE3-CD1 3.8Å; W32-I36 HydrophobicContact CZ3-CD1 3.75Å; W32-I36 PolarHBondContact O-N 3.43Å; W32-L73 HydrophobicContact CB-CD2 4.33Å; W32-P74 HydrophobicContact CB-CG 4.29Å; W32-P74 HydrophobicContact CD2-CG 3.89Å; W32-P74 HydrophobicContact CE3-CG 4.26Å; W32-P74 HydrophobicContact CG-CG 3.88Å; W32-V77 HydrophobicContact CB-CG2 3.96Å; W32-V77 HydrophobicContact CE3-CG2 4.2Å |
| 33 | A | 91.2 | Very high | 90.3 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.2 | -29.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E31 L35 I36 S37 | E31-A33 PolarHBondContact O-N 3.37Å; A33-L35 VanDerWaalsContact C-N 3.33Å; A33-I36 PolarHBondContact O-N 3.42Å; A33-S37 PolarHBondContact O-N 3.05Å; A33-S37 VanDerWaalsContact O-N 3.12Å; A33-S37 PolarHBondContact O-OG 2.98Å |
| 34 | D | 92.7 | Very high | 90.4 | Very high | 52 Ų | 52 | 66.2 Ų | 66.2 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 173.1 | -63 | -45 | 0 | 0 | 0 | 110.7 | S29 T30 E31 W32 S37 A38 | S29-D34 WeakPolarHBondContact OG-CB 3.3Å; T30-D34 PolarHBondContact N-OD2 3.24Å; T30-D34 PolarHBondContact OG1-OD2 2.95Å; E31-D34 PolarHBondContact N-OD2 3.44Å; E31-D34 WeakPolarHBondContact O-CB 3.43Å; E31-D34 PolarHBondContact O-N 3.08Å; W32-D34 VanDerWaalsContact C-N 3.35Å; D34-S37 CarbonylContact O-C 3.56Å; D34-S37 WeakPolarHBondContact O-CA 3.39Å; D34-S37 WeakPolarHBondContact O-CB 3.41Å; D34-S37 PolarHBondContact O-N 3.42Å; D34-S37 VanDerWaalsContact O-N 3.11Å; D34-A38 WeakPolarHBondContact O-CB 3.44Å; D34-A38 PolarHBondContact O-N 2.92Å |
| 35 | L | 93 | Very high | 90.6 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 177.6 | -60.3 | 176.9 | 0 | 0 | 0 | 111.4 | F26 W32 A33 S37 A38 L39 L73 V77 | F26-L35 HydrophobicContact CD1-CD2 4.09Å; W32-L35 WeakPolarHBondContact O-CB 3.31Å; W32-L35 PolarHBondContact O-N 3.48Å; A33-L35 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 2.94Å; L35-A38 PolarHBondContact O-N 3.49Å; L35-A38 VanDerWaalsContact O-N 3.15Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 WeakPolarHBondContact O-CD1 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.29Å; L35-L39 PolarHBondContact O-N 3.21Å; L35-L73 HydrophobicContact CD1-CD1 3.94Å; L35-L73 HydrophobicContact CD1-CD2 3.94Å; L35-V77 HydrophobicContact CB-CG1 4.02Å; L35-V77 HydrophobicContact CD1-CG1 4.29Å |
| 36 | I | 92.8 | Very high | 90.8 | Very high | 48 Ų | 48 | 61 Ų | 61 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 173.5 | -65 | 174.8 | 0 | 0 | 0 | 110.5 | W32 A33 G40 V77 K80 | W32-I36 HydrophobicContact CE3-CD1 3.8Å; W32-I36 HydrophobicContact CZ3-CD1 3.75Å; W32-I36 PolarHBondContact O-N 3.43Å; A33-I36 PolarHBondContact O-N 3.42Å; I36-G40 PolarHBondContact O-N 2.88Å; I36-V77 HydrophobicContact CD1-CG2 4.15Å; I36-V77 HydrophobicContact CG1-CB 4.43Å; I36-V77 HydrophobicContact CG1-CG2 4.03Å; I36-K80 HydrophobicContact CG2-CG 4.26Å |
| 37 | S | 92 | Very high | 90.8 | Very high | 65 Ų | 65 | 65 Ų | 65 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.3 | -27.1 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | A33 D34 L35 R41 | A33-S37 PolarHBondContact O-N 3.05Å; A33-S37 VanDerWaalsContact O-N 3.12Å; A33-S37 PolarHBondContact O-OG 2.98Å; D34-S37 CarbonylContact O-C 3.56Å; D34-S37 WeakPolarHBondContact O-CA 3.39Å; D34-S37 WeakPolarHBondContact O-CB 3.41Å; D34-S37 PolarHBondContact O-N 3.42Å; D34-S37 VanDerWaalsContact O-N 3.11Å; L35-S37 PolarHBondContact O-N 2.94Å; S37-R41 WeakPolarHBondContact O-CG 3.41Å; S37-R41 PolarHBondContact O-N 3.22Å; S37-R41 PolarHBondContact O-NE 3.17Å |
| 38 | A | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -77 | -47.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S25 F26 D34 L35 G40 R41 L42 | S25-A38 VanDerWaalsContact OG-CB 3.31Å; S25-A38 WeakPolarHBondContact OG-CB 3.48Å; F26-A38 HydrophobicContact CD1-CB 3.89Å; F26-A38 HydrophobicContact CD2-CB 3.83Å; F26-A38 HydrophobicContact CE1-CB 3.75Å; F26-A38 HydrophobicContact CE2-CB 3.69Å; F26-A38 HydrophobicContact CG-CB 3.94Å; F26-A38 HydrophobicContact CZ-CB 3.65Å; D34-A38 WeakPolarHBondContact O-CB 3.44Å; D34-A38 PolarHBondContact O-N 2.92Å; L35-A38 PolarHBondContact O-N 3.49Å; L35-A38 VanDerWaalsContact O-N 3.15Å; A38-G40 PolarHBondContact O-N 3.47Å; A38-R41 WeakPolarHBondContact O-CB 3.28Å; A38-R41 PolarHBondContact O-N 3.35Å; A38-R41 VanDerWaalsContact O-N 3.13Å; A38-L42 PolarHBondContact O-N 2.96Å |
| 39 | L | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 171.3 | -68.5 | 164.5 | 0 | 0 | 0 | 111.1 | F26 L35 R41 L42 I43 L65 C68 V77 K80 A81 C84 | F26-L39 HydrophobicContact CE1-CD2 4Å; F26-L39 HydrophobicContact CE1-CG 4Å; F26-L39 HydrophobicContact CZ-CD2 3.94Å; F26-L39 HydrophobicContact CZ-CG 4.08Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 WeakPolarHBondContact O-CD1 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.29Å; L35-L39 PolarHBondContact O-N 3.21Å; L39-R41 PolarHBondContact O-N 2.98Å; L39-L42 PolarHBondContact O-N 2.99Å; L39-L42 VanDerWaalsContact O-N 3.11Å; L39-I43 WeakPolarHBondContact O-CB 3.25Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.35Å; L39-I43 PolarHBondContact O-N 2.97Å; L39-L65 HydrophobicContact CD2-CD2 3.54Å; L39-C68 HydrophobicContact CD1-CB 4.17Å; L39-V77 HydrophobicContact CD1-CG1 4.23Å; L39-K80 HydrophobicContact CB-CG 3.93Å; L39-K80 HydrophobicContact CD1-CB 4.17Å; L39-K80 HydrophobicContact CD1-CG 4.31Å; L39-A81 HydrophobicContact CD1-CB 4.11Å; L39-A81 HydrophobicContact CD2-CB 4.36Å; L39-C84 HydrophobicContact CD2-CB 4.35Å |
| 40 | G | 94.5 | Very high | 91 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -20.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I36 A38 K44 | I36-G40 PolarHBondContact O-N 2.88Å; A38-G40 PolarHBondContact O-N 3.47Å; G40-K44 WeakPolarHBondContact O-CD 3.37Å; G40-K44 WeakPolarHBondContact O-CG 3.34Å |
| 41 | R | 92.9 | Very high | 90.6 | Very high | 119 Ų | 119 | 61.4 Ų | 61.4 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -82.3 | -45.5 | 169.2 | -80.3 | 174.1 | -77.2 | -173.6 | -5.1 | 111.5 | S25 S37 A38 L39 I43 K44 V45 | S25-R41 VanDerWaalsContact CB-CZ 3.44Å; S37-R41 WeakPolarHBondContact O-CG 3.41Å; S37-R41 PolarHBondContact O-N 3.22Å; S37-R41 PolarHBondContact O-NE 3.17Å; A38-R41 WeakPolarHBondContact O-CB 3.28Å; A38-R41 PolarHBondContact O-N 3.35Å; A38-R41 VanDerWaalsContact O-N 3.13Å; L39-R41 PolarHBondContact O-N 2.98Å; R41-I43 PolarHBondContact O-N 2.99Å; R41-K44 PolarHBondContact O-N 3.41Å; R41-V45 PolarHBondContact O-N 3.45Å; R41-V45 VanDerWaalsContact O-N 3.08Å |
| 42 | L | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 179.2 | -177 | 60.7 | 0 | 0 | 0 | 111.9 | F26 A38 L39 K44 V45 I46 I61 | F26-L42 HydrophobicContact CE2-CB 4.47Å; F26-L42 HydrophobicContact CE2-CD2 4.2Å; F26-L42 HydrophobicContact CZ-CD2 4.2Å; A38-L42 PolarHBondContact O-N 2.96Å; L39-L42 PolarHBondContact O-N 2.99Å; L39-L42 VanDerWaalsContact O-N 3.11Å; L42-K44 PolarHBondContact O-N 2.59Å; L42-V45 PolarHBondContact O-N 2.82Å; L42-I46 HydrophobicContact CD1-CD1 4.01Å; L42-I46 HydrophobicContact CD1-CG1 4.39Å; L42-I46 HydrophobicContact CG-CD1 3.87Å; L42-I46 WeakPolarHBondContact O-CG1 3.43Å; L42-I46 PolarHBondContact O-N 3.22Å; L42-I61 HydrophobicContact CD1-CD1 4.36Å; L42-I61 HydrophobicContact CD1-CG1 4.49Å; L42-I61 HydrophobicContact CD2-CG1 4.47Å; L42-I61 HydrophobicContact CD2-CG2 4.12Å |
| 43 | I | 93.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.7 | -50.8 | 175 | -71.9 | 167.7 | 0 | 0 | 0 | 111 | L39 R41 V45 I46 Q47 K80 E83 C84 V87 | L39-I43 WeakPolarHBondContact O-CB 3.25Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.35Å; L39-I43 PolarHBondContact O-N 2.97Å; R41-I43 PolarHBondContact O-N 2.99Å; I43-V45 VanDerWaalsContact C-N 3.33Å; I43-V45 PolarHBondContact O-N 3.24Å; I43-I46 PolarHBondContact O-N 3.36Å; I43-Q47 HydrophobicContact CG2-CG 4.38Å; I43-Q47 WeakPolarHBondContact O-CB 3.41Å; I43-Q47 VanDerWaalsContact O-CG 3.3Å; I43-Q47 WeakPolarHBondContact O-CG 3.3Å; I43-Q47 PolarHBondContact O-N 2.91Å; I43-K80 HydrophobicContact CD1-CD 3.91Å; I43-K80 HydrophobicContact CD1-CG 4.47Å; I43-E83 HydrophobicContact CD1-CB 4.23Å; I43-E83 HydrophobicContact CD1-CG 4.16Å; I43-C84 HydrophobicContact CD1-CB 3.92Å; I43-C84 HydrophobicContact CG1-CB 3.65Å; I43-V87 HydrophobicContact CG2-CG2 4.25Å |
| 44 | K | 94 | Very high | 89 | Confident | 149 Ų | 149 | 52.9 Ų | 52.9 | 65% | 0.648 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 179.4 | -71.7 | 177 | -179.4 | -178.4 | 0 | 112.4 | G40 R41 L42 S48 | G40-K44 WeakPolarHBondContact O-CD 3.37Å; G40-K44 WeakPolarHBondContact O-CG 3.34Å; R41-K44 PolarHBondContact O-N 3.41Å; L42-K44 PolarHBondContact O-N 2.59Å; K44-S48 WeakPolarHBondContact O-CB 3.45Å; K44-S48 PolarHBondContact O-N 3.33Å; K44-S48 PolarHBondContact O-OG 3.03Å |
| 45 | V | 92.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69 | -32.7 | 177.9 | 163.6 | 0 | 0 | 0 | 0 | 112.3 | F15 Q18 V19 R41 L42 I43 S48 N49 | F15-V45 HydrophobicContact CD2-CG1 4.18Å; F15-V45 HydrophobicContact CE2-CG1 4.01Å; F15-V45 WeakPolarHBondContact CE2-O 3.23Å; Q18-V45 HydrophobicContact CB-CG1 3.63Å; Q18-V45 HydrophobicContact CB-CG2 4.24Å; V19-V45 HydrophobicContact CG2-CG1 3.8Å; R41-V45 PolarHBondContact O-N 3.45Å; R41-V45 VanDerWaalsContact O-N 3.08Å; L42-V45 PolarHBondContact O-N 2.82Å; I43-V45 VanDerWaalsContact C-N 3.33Å; I43-V45 PolarHBondContact O-N 3.24Å; V45-S48 PolarHBondContact O-OG 2.82Å; V45-S48 VanDerWaalsContact O-OG 3.09Å; V45-N49 PolarHBondContact O-ND2 3.03Å |
| 46 | I | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -74.7 | -46.8 | 174.3 | -64 | 163.8 | 0 | 0 | 0 | 109.8 | F15 L42 I43 S48 N49 T50 V55 V87 I88 T91 | F15-I46 HydrophobicContact CZ-CG1 4.46Å; L42-I46 HydrophobicContact CD1-CD1 4.01Å; L42-I46 HydrophobicContact CD1-CG1 4.39Å; L42-I46 HydrophobicContact CG-CD1 3.87Å; L42-I46 WeakPolarHBondContact O-CG1 3.43Å; L42-I46 PolarHBondContact O-N 3.22Å; I43-I46 PolarHBondContact O-N 3.36Å; I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 PolarHBondContact O-N 3.03Å; I46-N49 CarbonylContact O-C 3.47Å; I46-N49 PolarHBondContact O-N 2.83Å; I46-T50 PolarHBondContact O-N 2.89Å; I46-V55 HydrophobicContact CG2-CG2 4.41Å; I46-V87 HydrophobicContact CB-CG1 4.07Å; I46-V87 HydrophobicContact CG2-CG1 3.79Å; I46-I88 HydrophobicContact CD1-CD1 4.1Å; I46-I88 HydrophobicContact CD1-CG1 3.7Å; I46-T91 HydrophobicContact CG2-CG2 4.09Å |
| 47 | Q | 91.2 | Very high | 88.1 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.5 | -37.3 | 176.7 | -74.1 | 172.2 | -14.6 | 0 | 0 | 113.2 | I43 N49 T50 V87 | I43-Q47 HydrophobicContact CG2-CG 4.38Å; I43-Q47 WeakPolarHBondContact O-CB 3.41Å; I43-Q47 VanDerWaalsContact O-CG 3.3Å; I43-Q47 WeakPolarHBondContact O-CG 3.3Å; I43-Q47 PolarHBondContact O-N 2.91Å; Q47-N49 VanDerWaalsContact C-N 3.27Å; Q47-N49 PolarHBondContact O-N 3.35Å; Q47-T50 WeakPolarHBondContact O-CG2 3.48Å; Q47-V87 HydrophobicContact CG-CG1 3.78Å; Q47-V87 HydrophobicContact CG-CG2 4.37Å |
| 48 | S | 89.7 | Confident | 88 | Confident | 79 Ų | 79 | 49.8 Ų | 49.8 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14.2 | 177.1 | 61 | 0 | 0 | 0 | 0 | 114.7 | K44 V45 I46 | K44-S48 WeakPolarHBondContact O-CB 3.45Å; K44-S48 PolarHBondContact O-N 3.33Å; K44-S48 PolarHBondContact O-OG 3.03Å; V45-S48 PolarHBondContact O-OG 2.82Å; V45-S48 VanDerWaalsContact O-OG 3.09Å; I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 PolarHBondContact O-N 3.03Å |
| 49 | N | 87.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 17% | 0.166 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 14.2 | -173.2 | -66.4 | -80.1 | 0 | 0 | 0 | 113.5 | F15 Q18 V45 I46 Q47 K51 C52 | F15-N49 HydrophobicContact CB-CB 4.34Å; F15-N49 HydrophobicContact CD1-CB 3.72Å; F15-N49 HydrophobicContact CD2-CB 3.56Å; F15-N49 WeakPolarHBondContact CD2-ND2 3.35Å; F15-N49 HydrophobicContact CE1-CB 3.76Å; F15-N49 HydrophobicContact CE2-CB 3.63Å; F15-N49 HydrophobicContact CG-CB 3.62Å; F15-N49 HydrophobicContact CZ-CB 3.73Å; Q18-N49 PolarHBondContact OE1-ND2 3.22Å; V45-N49 PolarHBondContact O-ND2 3.03Å; I46-N49 CarbonylContact O-C 3.47Å; I46-N49 PolarHBondContact O-N 2.83Å; Q47-N49 VanDerWaalsContact C-N 3.27Å; Q47-N49 PolarHBondContact O-N 3.35Å; N49-K51 PolarHBondContact O-N 3.37Å; N49-C52 WeakPolarHBondContact O-CB 3.47Å; N49-C52 PolarHBondContact O-N 3.38Å |
| 50 | T | 81.5 | Confident | 87.8 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -46.4 | -34.9 | -178.2 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | I46 Q47 C52 G53 | I46-T50 PolarHBondContact O-N 2.89Å; Q47-T50 WeakPolarHBondContact O-CG2 3.48Å; T50-C52 PolarHBondContact O-N 3.41Å; T50-G53 PolarHBondContact O-N 2.87Å |
| 51 | K | 76.1 | Confident | 87.7 | Confident | 211 Ų | 211 | 58.4 Ų | 58.4 | 92% | 0.917 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.6 | -7 | 177.9 | -62 | -174.6 | 179.5 | -177.3 | 0 | 114.9 | N49 | N49-K51 PolarHBondContact O-N 3.37Š|
| 52 | C | 72.6 | Confident | 87.7 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -81.3 | -21.7 | 178.4 | -161.4 | 0 | 0 | 0 | 0 | 113.8 | F15 N49 T50 Y54 | F15-C52 HydrophobicContact CD1-CB 4.15Å; F15-C52 HydrophobicContact CE1-CB 4.23Å; N49-C52 WeakPolarHBondContact O-CB 3.47Å; N49-C52 PolarHBondContact O-N 3.38Å; T50-C52 PolarHBondContact O-N 3.41Å; C52-Y54 PolarHBondContact O-N 2.85Å |
| 53 | G | 77.8 | Confident | 87.6 | Confident | 38 Ų | 38 | 59 Ų | 59 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 64.3 | -0.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T50 | T50-G53 PolarHBondContact O-N 2.87Š|
| 54 | Y | 82.2 | Confident | 87.5 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 15% | 0.153 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -145.5 | 142 | -178.6 | -177.7 | -110.4 | 0 | 0 | 0 | 110.7 | L6 Y12 F15 C52 | L6-Y54 HydrophobicContact CD2-CD1 3.85Å; L6-Y54 HydrophobicContact CD2-CG 4.17Å; Y12-Y54 HydrophobicContact CE2-CD1 4.03Å; Y12-Y54 WeakPolarHBondContact OH-CE1 3.41Å; F15-Y54 WeakPolarHBondContact CE1-O 3.3Å; C52-Y54 PolarHBondContact O-N 2.85Å |
| 55 | V | 86.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -103.3 | 113.1 | -178.3 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | I46 S58 I61 T91 I92 | I46-V55 HydrophobicContact CG2-CG2 4.41Å; V55-S58 PolarHBondContact O-N 3.06Å; V55-I61 HydrophobicContact CG1-CD1 3.43Å; V55-I61 VanDerWaalsContact CG1-CD1 3.43Å; V55-T91 HydrophobicContact CG2-CG2 4.2Å; V55-I92 HydrophobicContact CB-CG2 4.27Å; V55-I92 HydrophobicContact CG2-CG2 3.68Å | ||
| 56 | P | 85.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 145.6 | -179.1 | 26.1 | -32 | 0 | 0 | 0 | 111.3 | Y12 F15 I16 V19 S58 I61 | Y12-P56 HydrophobicContact CE2-CB 3.81Å; Y12-P56 HydrophobicContact CE2-CG 4.18Å; F15-P56 HydrophobicContact CD1-CG 3.89Å; F15-P56 HydrophobicContact CD2-CG 4.29Å; F15-P56 HydrophobicContact CE1-CG 4.11Å; F15-P56 HydrophobicContact CE2-CG 4.47Å; F15-P56 HydrophobicContact CG-CG 3.99Å; F15-P56 HydrophobicContact CZ-CG 4.39Å; I16-P56 HydrophobicContact CB-CB 4.46Å; I16-P56 HydrophobicContact CG1-CB 3.53Å; I16-P56 HydrophobicContact CG1-CG 4.09Å; V19-P56 HydrophobicContact CB-CG 4.33Å; V19-P56 HydrophobicContact CG2-CG 4.01Å; P56-S58 PolarHBondContact O-N 2.92Å; P56-I61 WeakPolarHBondContact O-CD1 3.37Å |
| 57 | R | 87.4 | Confident | 87.6 | Confident | 117 Ų | 117 | 59 Ų | 59 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 31.9 | -177.9 | -51.5 | -177.5 | 178.9 | -86.4 | 13.5 | 113.6 | D20 L23 F59 V60 I61 | D20-R57 VanDerWaalsContact CG-NH2 3.34Å; D20-R57 WeakPolarHBondContact OD1-CD 3.4Å; D20-R57 IonicContact OD1-CZ 3.2Å; D20-R57 IonicContact OD1-NE 3.49Å; D20-R57 PolarHBondContact OD1-NE 3.49Å; D20-R57 IonicContact OD1-NH2 2.95Å; D20-R57 PolarHBondContact OD1-NH2 3.04Å; D20-R57 VanDerWaalsContact OD1-NH2 3.15Å; D20-R57 IonicContact OD2-CZ 3.93Å; D20-R57 VanDerWaalsContact OD2-CZ 3.25Å; D20-R57 IonicContact OD2-NE 3.93Å; D20-R57 PolarHBondContact OD2-NE 3.13Å; D20-R57 IonicContact OD2-NH2 3.92Å; D20-R57 PolarHBondContact OD2-NH2 3.07Å; L23-R57 HydrophobicContact CD1-CB 4.23Å; R57-F59 PolarHBondContact O-N 3.44Å; R57-F59 VanDerWaalsContact O-N 3.1Å; R57-V60 HydrophobicContact CB-CB 4.37Å; R57-V60 HydrophobicContact CB-CG2 4.37Å; R57-V60 PolarHBondContact O-N 2.94Å; R57-I61 PolarHBondContact O-N 3.23Å |
| 58 | S | 89.7 | Confident | 87.7 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -37.3 | -50.6 | 174.6 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | V55 P56 V60 I61 G62 V103 Y104 | V55-S58 PolarHBondContact O-N 3.06Å; P56-S58 PolarHBondContact O-N 2.92Å; S58-V60 PolarHBondContact O-N 3.35Å; S58-I61 PolarHBondContact O-N 2.89Å; S58-G62 PolarHBondContact O-N 3.1Å; S58-V103 VanDerWaalsContact O-CG1 3.32Å; S58-V103 WeakPolarHBondContact O-CG1 3.28Å; S58-Y104 VanDerWaalsContact CB-OH 3.31Å; S58-Y104 WeakPolarHBondContact CB-OH 3.47Å |
| 59 | F | 91 | Very high | 87.9 | Confident | 139 Ų | 139 | 51.2 Ų | 51.2 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.4 | -41.3 | 177.8 | -174.1 | -99.5 | 0 | 0 | 0 | 114.5 | R57 K63 | R57-F59 PolarHBondContact O-N 3.44Å; R57-F59 VanDerWaalsContact O-N 3.1Å; F59-K63 WeakPolarHBondContact O-CB 3.23Å; F59-K63 PolarHBondContact O-N 2.76Å; F59-K63 VanDerWaalsContact O-N 3.07Å |
| 60 | V | 91.9 | Very high | 88.1 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.1 | -39.6 | 178.8 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | L23 R57 S58 K63 R64 | L23-V60 HydrophobicContact CD1-CB 4.19Å; L23-V60 HydrophobicContact CD1-CG1 3.96Å; L23-V60 HydrophobicContact CD2-CG1 4.15Å; R57-V60 HydrophobicContact CB-CB 4.37Å; R57-V60 HydrophobicContact CB-CG2 4.37Å; R57-V60 PolarHBondContact O-N 2.94Å; S58-V60 PolarHBondContact O-N 3.35Å; V60-K63 PolarHBondContact O-N 3.29Å; V60-R64 WeakPolarHBondContact O-CG 3.29Å; V60-R64 PolarHBondContact O-N 3.25Å |
| 61 | I | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -51.9 | 175 | -69.5 | 166 | 0 | 0 | 0 | 110.5 | V19 L23 L42 V55 P56 R57 S58 K63 R64 L65 I88 Y104 | V19-I61 HydrophobicContact CG1-CD1 3.9Å; V19-I61 HydrophobicContact CG1-CG1 4.46Å; L23-I61 HydrophobicContact CD1-CG1 4.39Å; L23-I61 HydrophobicContact CD2-CG1 3.95Å; L42-I61 HydrophobicContact CD1-CD1 4.36Å; L42-I61 HydrophobicContact CD1-CG1 4.49Å; L42-I61 HydrophobicContact CD2-CG1 4.47Å; L42-I61 HydrophobicContact CD2-CG2 4.12Å; V55-I61 HydrophobicContact CG1-CD1 3.43Å; V55-I61 VanDerWaalsContact CG1-CD1 3.43Å; P56-I61 WeakPolarHBondContact O-CD1 3.37Å; R57-I61 PolarHBondContact O-N 3.23Å; S58-I61 PolarHBondContact O-N 2.89Å; I61-K63 VanDerWaalsContact C-N 3.29Å; I61-K63 PolarHBondContact O-N 2.72Å; I61-R64 CarbonylContact O-C 3.58Å; I61-R64 PolarHBondContact O-N 3.22Å; I61-L65 HydrophobicContact CG2-CD1 3.69Å; I61-L65 HydrophobicContact CG2-CG 4.13Å; I61-L65 WeakPolarHBondContact O-CG 3.45Å; I61-L65 PolarHBondContact O-N 2.86Å; I61-I88 HydrophobicContact CG2-CD1 3.73Å; I61-Y104 HydrophobicContact CG2-CE1 4.33Å |
| 62 | G | 92.8 | Very high | 89 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.6 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S58 L65 A66 | S58-G62 PolarHBondContact O-N 3.1Å; G62-L65 PolarHBondContact O-N 2.93Å; G62-A66 WeakPolarHBondContact O-CB 3.26Å; G62-A66 PolarHBondContact O-N 3.18Å |
| 63 | K | 92.1 | Very high | 89.9 | Confident | 129 Ų | 129 | 49 Ų | 49 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 173.3 | -173.5 | 172.9 | -178.2 | 176.1 | 0 | 112.9 | F59 V60 I61 Q67 | F59-K63 WeakPolarHBondContact O-CB 3.23Å; F59-K63 PolarHBondContact O-N 2.76Å; F59-K63 VanDerWaalsContact O-N 3.07Å; V60-K63 PolarHBondContact O-N 3.29Å; I61-K63 VanDerWaalsContact C-N 3.29Å; I61-K63 PolarHBondContact O-N 2.72Å; K63-Q67 WeakPolarHBondContact O-CB 3.3Å; K63-Q67 VanDerWaalsContact O-CG 3.28Å; K63-Q67 WeakPolarHBondContact O-CG 3.27Å; K63-Q67 PolarHBondContact O-N 2.8Å |
| 64 | R | 92 | Very high | 90.5 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 21% | 0.211 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 176.2 | -68 | -50.2 | -170.9 | 173.7 | 6.1 | 112.4 | L23 F26 E27 V60 I61 Q67 C68 | L23-R64 HydrophobicContact CD2-CG 4.12Å; F26-R64 HydrophobicContact CB-CG 4.28Å; F26-R64 HydrophobicContact CD1-CB 4.24Å; F26-R64 HydrophobicContact CE1-CB 4.44Å; F26-R64 HydrophobicContact CG-CB 4.4Å; F26-R64 HydrophobicContact CG-CG 4.25Å; E27-R64 VanDerWaalsContact CG-NH2 3.25Å; E27-R64 IonicContact OE1-NH2 2.73Å; V60-R64 WeakPolarHBondContact O-CG 3.29Å; V60-R64 PolarHBondContact O-N 3.25Å; I61-R64 CarbonylContact O-C 3.58Å; I61-R64 PolarHBondContact O-N 3.22Å; R64-Q67 VanDerWaalsContact CD-OE1 3.25Å; R64-Q67 WeakPolarHBondContact O-CB 3.48Å; R64-Q67 PolarHBondContact O-N 3.39Å; R64-C68 PolarHBondContact O-N 2.91Å; R64-C68 PolarHBondContact O-SG 3.31Å |
| 65 | L | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 175.8 | -69.4 | 174.1 | 0 | 0 | 0 | 111.8 | L39 I61 G62 Q67 C68 L69 A81 C84 Y85 I88 Y104 | L39-L65 HydrophobicContact CD2-CD2 3.54Å; I61-L65 HydrophobicContact CG2-CD1 3.69Å; I61-L65 HydrophobicContact CG2-CG 4.13Å; I61-L65 WeakPolarHBondContact O-CG 3.45Å; I61-L65 PolarHBondContact O-N 2.86Å; G62-L65 PolarHBondContact O-N 2.93Å; L65-Q67 VanDerWaalsContact C-N 3.29Å; L65-Q67 PolarHBondContact O-N 3.41Å; L65-C68 CarbonylContact O-C 3.59Å; L65-C68 WeakPolarHBondContact O-CA 3.48Å; L65-C68 WeakPolarHBondContact O-CB 3.37Å; L65-C68 PolarHBondContact O-N 3.3Å; L65-L69 PolarHBondContact O-N 3.39Å; L65-A81 HydrophobicContact CD2-CB 4.46Å; L65-C84 HydrophobicContact CD2-CB 3.77Å; L65-Y85 HydrophobicContact CB-CD2 4.46Å; L65-Y85 HydrophobicContact CB-CE1 4.32Å; L65-Y85 HydrophobicContact CB-CE2 3.64Å; L65-Y85 HydrophobicContact CD1-CD1 4.16Å; L65-Y85 HydrophobicContact CD1-CD2 4.35Å; L65-Y85 HydrophobicContact CD1-CE1 4.02Å; L65-Y85 HydrophobicContact CD1-CE2 4.2Å; L65-Y85 HydrophobicContact CD1-CG 4.35Å; L65-Y85 HydrophobicContact CG-CE2 4.35Å; L65-I88 HydrophobicContact CD1-CD1 3.54Å; L65-Y104 HydrophobicContact CD1-CD1 4.48Å |
| 66 | A | 93 | Very high | 91.3 | Very high | 33 Ų | 33 | 51 Ų | 51 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G62 C68 L69 | G62-A66 WeakPolarHBondContact O-CB 3.26Å; G62-A66 PolarHBondContact O-N 3.18Å; A66-C68 VanDerWaalsContact C-N 3.35Å; A66-L69 PolarHBondContact O-N 3.29Å |
| 67 | Q | 91.8 | Very high | 91.7 | Very high | 88 Ų | 88 | 51 Ų | 51 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 170 | -75.8 | 176.1 | -23.1 | 0 | 0 | 112.4 | K63 R64 L65 L69 H70 L73 | K63-Q67 WeakPolarHBondContact O-CB 3.3Å; K63-Q67 VanDerWaalsContact O-CG 3.28Å; K63-Q67 WeakPolarHBondContact O-CG 3.27Å; K63-Q67 PolarHBondContact O-N 2.8Å; R64-Q67 VanDerWaalsContact CD-OE1 3.25Å; R64-Q67 WeakPolarHBondContact O-CB 3.48Å; R64-Q67 PolarHBondContact O-N 3.39Å; L65-Q67 VanDerWaalsContact C-N 3.29Å; L65-Q67 PolarHBondContact O-N 3.41Å; Q67-L69 PolarHBondContact O-N 3.03Å; Q67-H70 VanDerWaalsContact O-CB 3.32Å; Q67-H70 WeakPolarHBondContact O-CB 3.31Å; Q67-H70 PolarHBondContact O-N 3.48Å; Q67-L73 WeakPolarHBondContact O-CD1 3.36Å |
| 68 | C | 93.9 | Very high | 92 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.1 | -12.8 | 175.4 | -64.4 | 0 | 0 | 0 | 0 | 114 | L39 R64 L65 A66 V77 H78 A81 | L39-C68 HydrophobicContact CD1-CB 4.17Å; R64-C68 PolarHBondContact O-N 2.91Å; R64-C68 PolarHBondContact O-SG 3.31Å; L65-C68 CarbonylContact O-C 3.59Å; L65-C68 WeakPolarHBondContact O-CA 3.48Å; L65-C68 WeakPolarHBondContact O-CB 3.37Å; L65-C68 PolarHBondContact O-N 3.3Å; A66-C68 VanDerWaalsContact C-N 3.35Å; C68-V77 HydrophobicContact CB-CG1 4.16Å; C68-H78 PolarHBondContact O-CD2 3.08Å; C68-A81 HydrophobicContact CB-CB 3.86Å |
| 69 | L | 93.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 9.4 | 173 | -67.8 | -172.2 | 0 | 0 | 0 | 113.5 | L65 A66 Q67 H78 A81 L82 Y85 G107 L108 L111 | L65-L69 PolarHBondContact O-N 3.39Å; A66-L69 PolarHBondContact O-N 3.29Å; Q67-L69 PolarHBondContact O-N 3.03Å; L69-H78 HydrophobicContact CD2-CB 4.17Å; L69-A81 HydrophobicContact CD2-CB 3.72Å; L69-A81 HydrophobicContact CG-CB 4.25Å; L69-L82 HydrophobicContact CD1-CD2 4.36Å; L69-L82 HydrophobicContact CD2-CD2 4.3Å; L69-L82 HydrophobicContact CD2-CG 4.38Å; L69-Y85 HydrophobicContact CD1-CD2 4.35Å; L69-Y85 HydrophobicContact CD1-CE2 3.51Å; L69-Y85 HydrophobicContact CG-CE2 4.17Å; L69-G107 WeakPolarHBondContact CD1-O 3.39Å; L69-L108 HydrophobicContact CD1-CD2 4.24Å; L69-L111 HydrophobicContact CB-CD1 4.33Å; L69-L111 HydrophobicContact CD1-CD2 4.08Å; L69-L111 HydrophobicContact CD2-CD1 4.29Å; L69-L111 HydrophobicContact CD2-CD2 3.71Å; L69-L111 HydrophobicContact CG-CD2 4.38Å |
| 70 | H | 91.1 | Very high | 92.5 | Very high | 108 Ų | 108 | 42.9 Ų | 42.9 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | trans | -63.2 | 138.3 | 179.7 | -172 | -102.4 | 0 | 0 | 0 | 112 | Q67 A72 L73 H78 | Q67-H70 VanDerWaalsContact O-CB 3.32Å; Q67-H70 WeakPolarHBondContact O-CB 3.31Å; Q67-H70 PolarHBondContact O-N 3.48Å; H70-A72 WeakPolarHBondContact ND1-CB 3.25Å; H70-A72 PolarHBondContact ND1-N 2.95Å; H70-A72 PolarHBondContact O-N 3.45Å; H70-A72 VanDerWaalsContact O-N 3.1Å; H70-L73 HydrophobicContact CB-CD1 4.26Å; H70-L73 HydrophobicContact CB-CG 4.47Å; H70-L73 WeakPolarHBondContact O-CB 3.27Å; H70-L73 PolarHBondContact O-N 3.42Å; H70-H78 PolarHBondContact O-NE2 3.04Å | ||
| 71 | P | 88.3 | Confident | 92.6 | Very high | 77 Ų | 77 | 40.1 Ų | 40.1 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.4 | -176.7 | -31.3 | 38.1 | 0 | 0 | 0 | 115.7 | L73 P114 | P71-L73 PolarHBondContact O-N 3.28Å; P71-P114 HydrophobicContact CB-CB 3.91Å; P71-P114 HydrophobicContact CG-CB 3.76Å; P71-P114 HydrophobicContact CG-CG 3.87Å |
| 72 | A | 88.7 | Confident | 92.7 | Very high | 83 Ų | 83 | 40.2 Ų | 40.2 | 69% | 0.686 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 2.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H70 | H70-A72 WeakPolarHBondContact ND1-CB 3.25Å; H70-A72 PolarHBondContact ND1-N 2.95Å; H70-A72 PolarHBondContact O-N 3.45Å; H70-A72 VanDerWaalsContact O-N 3.1Å |
| 73 | L | 90.7 | Very high | 92.9 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 20% | 0.199 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -97.5 | 147.3 | 176.4 | -67.8 | 173.1 | 0 | 0 | 0 | 111.5 | W32 L35 Q67 H70 P71 V77 H78 | W32-L73 HydrophobicContact CB-CD2 4.33Å; L35-L73 HydrophobicContact CD1-CD1 3.94Å; L35-L73 HydrophobicContact CD1-CD2 3.94Å; Q67-L73 WeakPolarHBondContact O-CD1 3.36Å; H70-L73 HydrophobicContact CB-CD1 4.26Å; H70-L73 HydrophobicContact CB-CG 4.47Å; H70-L73 WeakPolarHBondContact O-CB 3.27Å; H70-L73 PolarHBondContact O-N 3.42Å; P71-L73 PolarHBondContact O-N 3.28Å; L73-V77 HydrophobicContact CB-CB 4.34Å; L73-V77 HydrophobicContact CB-CG2 4.43Å; L73-V77 HydrophobicContact CD1-CG1 4.27Å; L73-H78 PolarHBondContact O-CE1 3.48Å; L73-H78 PolarHBondContact O-NE2 3.25Å |
| 74 | P | 92.3 | Very high | 93 | Very high | 52 Ų | 52 | 37.6 Ų | 37.6 | 34% | 0.338 | 23% | 0.225 | S | C | . | . | trans | -61.7 | 148.1 | 177.5 | -24.5 | 34.6 | 0 | 0 | 0 | 113.5 | W32 G76 V77 H78 | W32-P74 HydrophobicContact CB-CG 4.29Å; W32-P74 HydrophobicContact CD2-CG 3.89Å; W32-P74 HydrophobicContact CE3-CG 4.26Å; W32-P74 HydrophobicContact CG-CG 3.88Å; P74-G76 PolarHBondContact O-N 3.24Å; P74-V77 HydrophobicContact CB-CG2 4.49Å; P74-V77 WeakPolarHBondContact O-CA 3.42Å; P74-V77 WeakPolarHBondContact O-CB 3.48Å; P74-V77 PolarHBondContact O-N 2.96Å; P74-H78 PolarHBondContact O-N 3.44Å | ||
| 75 | A | 91 | Very high | 93.2 | Very high | 27 Ų | 27 | 35 Ų | 35 | 22% | 0.223 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -50.7 | -31.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V77 H78 C79 A116 V119 | A75-V77 VanDerWaalsContact C-N 3.29Å; A75-V77 PolarHBondContact O-N 2.91Å; A75-H78 WeakPolarHBondContact O-CB 3.44Å; A75-H78 PolarHBondContact O-N 3.1Å; A75-C79 PolarHBondContact O-N 3.39Å; A75-C79 PolarHBondContact O-SG 3.45Å; A75-C79 VanDerWaalsContact O-SG 3.38Å; A75-A116 HydrophobicContact CB-CB 4.15Å; A75-V119 HydrophobicContact CB-CG2 3.61Å |
| 76 | G | 93 | Very high | 93.2 | Very high | 41 Ų | 41 | 36 Ų | 36 | 42% | 0.423 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64 | -30.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P74 K80 | P74-G76 PolarHBondContact O-N 3.24Å; G76-K80 WeakPolarHBondContact O-CB 2.98Å; G76-K80 PolarHBondContact O-N 3.12Å |
| 77 | V | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.7 | -43.8 | 171.3 | -167 | 0 | 0 | 0 | 0 | 109.9 | W32 L35 I36 L39 C68 L73 P74 A75 K80 A81 | W32-V77 HydrophobicContact CB-CG2 3.96Å; W32-V77 HydrophobicContact CE3-CG2 4.2Å; L35-V77 HydrophobicContact CB-CG1 4.02Å; L35-V77 HydrophobicContact CD1-CG1 4.29Å; I36-V77 HydrophobicContact CD1-CG2 4.15Å; I36-V77 HydrophobicContact CG1-CB 4.43Å; I36-V77 HydrophobicContact CG1-CG2 4.03Å; L39-V77 HydrophobicContact CD1-CG1 4.23Å; C68-V77 HydrophobicContact CB-CG1 4.16Å; L73-V77 HydrophobicContact CB-CB 4.34Å; L73-V77 HydrophobicContact CB-CG2 4.43Å; L73-V77 HydrophobicContact CD1-CG1 4.27Å; P74-V77 HydrophobicContact CB-CG2 4.49Å; P74-V77 WeakPolarHBondContact O-CA 3.42Å; P74-V77 WeakPolarHBondContact O-CB 3.48Å; P74-V77 PolarHBondContact O-N 2.96Å; A75-V77 VanDerWaalsContact C-N 3.29Å; A75-V77 PolarHBondContact O-N 2.91Å; V77-K80 PolarHBondContact O-N 2.88Å; V77-A81 WeakPolarHBondContact O-CB 3.49Å; V77-A81 PolarHBondContact O-N 3.48Å |
| 78 | H | 94.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -52.6 | 177.6 | -56.1 | 158.6 | 0 | 0 | 0 | 111.2 | C68 L69 H70 L73 P74 A75 K80 A81 L82 V119 | C68-H78 PolarHBondContact O-CD2 3.08Å; L69-H78 HydrophobicContact CD2-CB 4.17Å; H70-H78 PolarHBondContact O-NE2 3.04Å; L73-H78 PolarHBondContact O-CE1 3.48Å; L73-H78 PolarHBondContact O-NE2 3.25Å; P74-H78 PolarHBondContact O-N 3.44Å; A75-H78 WeakPolarHBondContact O-CB 3.44Å; A75-H78 PolarHBondContact O-N 3.1Å; H78-K80 VanDerWaalsContact C-N 3.28Å; H78-K80 PolarHBondContact O-N 3.37Å; H78-A81 WeakPolarHBondContact O-CB 3.09Å; H78-A81 PolarHBondContact O-N 2.79Å; H78-A81 VanDerWaalsContact O-N 3.08Å; H78-L82 WeakPolarHBondContact O-CG 3.28Å; H78-L82 PolarHBondContact O-N 3.27Å; H78-V119 HydrophobicContact CB-CG1 3.7Å; H78-V119 HydrophobicContact CB-CG2 3.91Å |
| 79 | C | 94.8 | Very high | 93.3 | Very high | 43 Ų | 43 | 30.9 Ų | 30.9 | 29% | 0.291 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.1 | -39.6 | 177.6 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | A75 L82 E83 | A75-C79 PolarHBondContact O-N 3.39Å; A75-C79 PolarHBondContact O-SG 3.45Å; A75-C79 VanDerWaalsContact O-SG 3.38Å; C79-L82 PolarHBondContact O-N 2.94Å; C79-E83 PolarHBondContact O-N 3Å |
| 80 | K | 94.7 | Very high | 93.3 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 22% | 0.217 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.6 | -26.2 | 178.2 | -162.9 | 52.7 | 156.3 | -179.2 | 0 | 113.5 | I36 L39 I43 G76 V77 H78 E83 C84 | I36-K80 HydrophobicContact CG2-CG 4.26Å; L39-K80 HydrophobicContact CB-CG 3.93Å; L39-K80 HydrophobicContact CD1-CB 4.17Å; L39-K80 HydrophobicContact CD1-CG 4.31Å; I43-K80 HydrophobicContact CD1-CD 3.91Å; I43-K80 HydrophobicContact CD1-CG 4.47Å; G76-K80 WeakPolarHBondContact O-CB 2.98Å; G76-K80 PolarHBondContact O-N 3.12Å; V77-K80 PolarHBondContact O-N 2.88Å; H78-K80 VanDerWaalsContact C-N 3.28Å; H78-K80 PolarHBondContact O-N 3.37Å; K80-E83 HydrophobicContact CD-CB 4.36Å; K80-E83 WeakPolarHBondContact CD-OE2 3.37Å; K80-E83 IonicContact NZ-OE1 3.92Å; K80-E83 PolarHBondContact NZ-OE1 3.27Å; K80-E83 IonicContact NZ-OE2 3.9Å; K80-E83 PolarHBondContact NZ-OE2 3.23Å; K80-C84 PolarHBondContact O-N 3.2Å |
| 81 | A | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.5 | -41.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L39 L65 C68 L69 V77 H78 C84 Y85 | L39-A81 HydrophobicContact CD1-CB 4.11Å; L39-A81 HydrophobicContact CD2-CB 4.36Å; L65-A81 HydrophobicContact CD2-CB 4.46Å; C68-A81 HydrophobicContact CB-CB 3.86Å; L69-A81 HydrophobicContact CD2-CB 3.72Å; L69-A81 HydrophobicContact CG-CB 4.25Å; V77-A81 WeakPolarHBondContact O-CB 3.49Å; V77-A81 PolarHBondContact O-N 3.48Å; H78-A81 WeakPolarHBondContact O-CB 3.09Å; H78-A81 PolarHBondContact O-N 2.79Å; H78-A81 VanDerWaalsContact O-N 3.08Å; A81-C84 CarbonylContact O-C 3.51Å; A81-C84 WeakPolarHBondContact O-CA 3.17Å; A81-C84 VanDerWaalsContact O-CB 3.29Å; A81-C84 WeakPolarHBondContact O-CB 3.22Å; A81-C84 PolarHBondContact O-N 3.33Å; A81-Y85 VanDerWaalsContact O-CD2 3.26Å; A81-Y85 WeakPolarHBondContact O-CD2 3.22Å; A81-Y85 PolarHBondContact O-N 3.26Å |
| 82 | L | 95.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 173.9 | -67.8 | -178 | 0 | 0 | 0 | 112.2 | L69 H78 C79 C84 Y85 D86 L108 L111 V119 P122 L123 I126 | L69-L82 HydrophobicContact CD1-CD2 4.36Å; L69-L82 HydrophobicContact CD2-CD2 4.3Å; L69-L82 HydrophobicContact CD2-CG 4.38Å; H78-L82 WeakPolarHBondContact O-CG 3.28Å; H78-L82 PolarHBondContact O-N 3.27Å; C79-L82 PolarHBondContact O-N 2.94Å; L82-C84 PolarHBondContact O-N 2.9Å; L82-Y85 HydrophobicContact CD2-CD2 4.37Å; L82-Y85 WeakPolarHBondContact O-CB 3.35Å; L82-Y85 PolarHBondContact O-N 2.84Å; L82-D86 PolarHBondContact O-N 3.41Å; L82-L108 HydrophobicContact CD2-CD2 3.5Å; L82-L111 HydrophobicContact CD1-CD2 4Å; L82-L111 HydrophobicContact CD2-CD2 3.9Å; L82-L111 HydrophobicContact CG-CD2 4.22Å; L82-V119 HydrophobicContact CD1-CG1 3.81Å; L82-P122 HydrophobicContact CD1-CB 3.94Å; L82-L123 HydrophobicContact CD1-CB 4.12Å; L82-L123 HydrophobicContact CD2-CD1 4.01Å; L82-I126 HydrophobicContact CB-CD1 3.65Å; L82-I126 HydrophobicContact CD2-CD1 3.93Å; L82-I126 HydrophobicContact CG-CD1 4.27Å; L82-I126 WeakPolarHBondContact O-CD1 3.42Å |
| 83 | E | 96 | Very high | 93.3 | Very high | 76 Ų | 76 | 27.3 Ų | 27.3 | 36% | 0.355 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -56.7 | -34.3 | 170.1 | -168.6 | -166.1 | 127.5 | 0 | 0 | 112.2 | I43 C79 K80 V87 | I43-E83 HydrophobicContact CD1-CB 4.23Å; I43-E83 HydrophobicContact CD1-CG 4.16Å; C79-E83 PolarHBondContact O-N 3Å; K80-E83 HydrophobicContact CD-CB 4.36Å; K80-E83 WeakPolarHBondContact CD-OE2 3.37Å; K80-E83 IonicContact NZ-OE1 3.92Å; K80-E83 PolarHBondContact NZ-OE1 3.27Å; K80-E83 IonicContact NZ-OE2 3.9Å; K80-E83 PolarHBondContact NZ-OE2 3.23Å; E83-V87 WeakPolarHBondContact O-CB 3.4Å; E83-V87 VanDerWaalsContact O-CG2 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.38Å; E83-V87 PolarHBondContact O-N 3.5Å |
| 84 | C | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.2 | -34.3 | 175 | -163.6 | 0 | 0 | 0 | 0 | 113.1 | L39 I43 L65 K80 A81 L82 I88 | L39-C84 HydrophobicContact CD2-CB 4.35Å; I43-C84 HydrophobicContact CD1-CB 3.92Å; I43-C84 HydrophobicContact CG1-CB 3.65Å; L65-C84 HydrophobicContact CD2-CB 3.77Å; K80-C84 PolarHBondContact O-N 3.2Å; A81-C84 CarbonylContact O-C 3.51Å; A81-C84 WeakPolarHBondContact O-CA 3.17Å; A81-C84 VanDerWaalsContact O-CB 3.29Å; A81-C84 WeakPolarHBondContact O-CB 3.22Å; A81-C84 PolarHBondContact O-N 3.33Å; L82-C84 PolarHBondContact O-N 2.9Å; C84-I88 WeakPolarHBondContact O-CB 3.3Å; C84-I88 WeakPolarHBondContact O-CD1 3.3Å; C84-I88 WeakPolarHBondContact O-CG1 3.41Å; C84-I88 PolarHBondContact O-N 3.45Å |
| 85 | Y | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 173.2 | -83.1 | -76.9 | 0 | 0 | 0 | 111.5 | L65 L69 A81 L82 V87 I88 F89 Y104 L108 | L65-Y85 HydrophobicContact CB-CD2 4.46Å; L65-Y85 HydrophobicContact CB-CE1 4.32Å; L65-Y85 HydrophobicContact CB-CE2 3.64Å; L65-Y85 HydrophobicContact CD1-CD1 4.16Å; L65-Y85 HydrophobicContact CD1-CD2 4.35Å; L65-Y85 HydrophobicContact CD1-CE1 4.02Å; L65-Y85 HydrophobicContact CD1-CE2 4.2Å; L65-Y85 HydrophobicContact CD1-CG 4.35Å; L65-Y85 HydrophobicContact CG-CE2 4.35Å; L69-Y85 HydrophobicContact CD1-CD2 4.35Å; L69-Y85 HydrophobicContact CD1-CE2 3.51Å; L69-Y85 HydrophobicContact CG-CE2 4.17Å; A81-Y85 VanDerWaalsContact O-CD2 3.26Å; A81-Y85 WeakPolarHBondContact O-CD2 3.22Å; A81-Y85 PolarHBondContact O-N 3.26Å; L82-Y85 HydrophobicContact CD2-CD2 4.37Å; L82-Y85 WeakPolarHBondContact O-CB 3.35Å; L82-Y85 PolarHBondContact O-N 2.84Å; Y85-V87 PolarHBondContact O-N 3.38Å; Y85-I88 WeakPolarHBondContact O-CB 3.43Å; Y85-I88 PolarHBondContact O-N 2.68Å; Y85-I88 VanDerWaalsContact O-N 3.14Å; Y85-F89 HydrophobicContact CD1-CE1 4.44Å; Y85-F89 HydrophobicContact CD1-CE2 4.43Å; Y85-F89 AromaticContact CD1-CZ 3.98Å; Y85-F89 HydrophobicContact CD1-CZ 3.98Å; Y85-F89 WeakPolarHBondContact O-CG 3.23Å; Y85-F89 PolarHBondContact O-N 3.44Å; Y85-Y104 HydrophobicContact CD1-CD1 4.29Å; Y85-Y104 AromaticContact CE1-CD1 3.93Å; Y85-Y104 HydrophobicContact CE1-CD1 3.93Å; Y85-Y104 HydrophobicContact CE1-CG 4.31Å; Y85-Y104 WeakPolarHBondContact CE1-O 3.27Å; Y85-Y104 PolarHBondContact OH-O 3.23Å; Y85-L108 HydrophobicContact CD1-CD1 3.64Å; Y85-L108 HydrophobicContact CD1-CD2 4.16Å; Y85-L108 HydrophobicContact CD1-CG 3.91Å; Y85-L108 HydrophobicContact CD2-CD2 3.72Å; Y85-L108 HydrophobicContact CD2-CG 4.2Å; Y85-L108 HydrophobicContact CE1-CD1 3.78Å; Y85-L108 HydrophobicContact CE1-CD2 4.31Å; Y85-L108 HydrophobicContact CE1-CG 3.73Å; Y85-L108 HydrophobicContact CE2-CD2 3.91Å; Y85-L108 HydrophobicContact CE2-CG 4.06Å; Y85-L108 HydrophobicContact CG-CD1 4.09Å; Y85-L108 HydrophobicContact CG-CD2 3.84Å; Y85-L108 HydrophobicContact CG-CG 4.11Å |
| 86 | D | 94.8 | Very high | 92.5 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54 | -51.2 | 174.3 | 169.8 | 66.9 | 0 | 0 | 0 | 111.9 | L82 I88 F89 R90 I126 H130 | L82-D86 PolarHBondContact O-N 3.41Å; D86-I88 VanDerWaalsContact C-N 3.28Å; D86-I88 PolarHBondContact O-N 3.43Å; D86-F89 PolarHBondContact O-N 3.4Å; D86-R90 VanDerWaalsContact CG-NH1 3.29Å; D86-R90 WeakPolarHBondContact O-CB 3.32Å; D86-R90 WeakPolarHBondContact O-CG 3.36Å; D86-R90 PolarHBondContact O-N 2.98Å; D86-R90 WeakPolarHBondContact OD1-CD 3.37Å; D86-R90 IonicContact OD1-CZ 3.9Å; D86-R90 IonicContact OD1-NE 3.18Å; D86-R90 PolarHBondContact OD1-NE 3.01Å; D86-R90 IonicContact OD1-NH1 2.93Å; D86-R90 PolarHBondContact OD1-NH1 3.45Å; D86-R90 IonicContact OD1-NH2 2.74Å; D86-R90 PolarHBondContact OD1-NH2 3.26Å; D86-R90 IonicContact OD2-CZ 2.98Å; D86-R90 IonicContact OD2-NE 2.83Å; D86-R90 IonicContact OD2-NH1 3.63Å; D86-R90 PolarHBondContact OD2-NH1 3.41Å; D86-I126 HydrophobicContact CB-CG1 4.46Å; D86-H130 IonicContact OD1-CD2 3.54Å; D86-H130 IonicContact OD1-CE1 3.46Å; D86-H130 IonicContact OD1-NE2 2.66Å; D86-H130 PolarHBondContact OD1-NE2 3.15Å |
| 87 | V | 93.6 | Very high | 92.3 | Very high | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.1 | -34.6 | 177.7 | 164.5 | 0 | 0 | 0 | 0 | 112.5 | I43 I46 Q47 E83 Y85 T91 | I43-V87 HydrophobicContact CG2-CG2 4.25Å; I46-V87 HydrophobicContact CB-CG1 4.07Å; I46-V87 HydrophobicContact CG2-CG1 3.79Å; Q47-V87 HydrophobicContact CG-CG1 3.78Å; Q47-V87 HydrophobicContact CG-CG2 4.37Å; E83-V87 WeakPolarHBondContact O-CB 3.4Å; E83-V87 VanDerWaalsContact O-CG2 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.38Å; E83-V87 PolarHBondContact O-N 3.5Å; Y85-V87 PolarHBondContact O-N 3.38Å; V87-T91 VanDerWaalsContact O-CB 3.3Å; V87-T91 WeakPolarHBondContact O-CB 3.29Å; V87-T91 PolarHBondContact O-N 2.98Å; V87-T91 PolarHBondContact O-OG1 2.9Å |
| 88 | I | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69 | -49.5 | 174.6 | -74.8 | 164.1 | 0 | 0 | 0 | 110.9 | I46 I61 L65 C84 Y85 D86 R90 T91 I92 Y104 | I46-I88 HydrophobicContact CD1-CD1 4.1Å; I46-I88 HydrophobicContact CD1-CG1 3.7Å; I61-I88 HydrophobicContact CG2-CD1 3.73Å; L65-I88 HydrophobicContact CD1-CD1 3.54Å; C84-I88 WeakPolarHBondContact O-CB 3.3Å; C84-I88 WeakPolarHBondContact O-CD1 3.3Å; C84-I88 WeakPolarHBondContact O-CG1 3.41Å; C84-I88 PolarHBondContact O-N 3.45Å; Y85-I88 WeakPolarHBondContact O-CB 3.43Å; Y85-I88 PolarHBondContact O-N 2.68Å; Y85-I88 VanDerWaalsContact O-N 3.14Å; D86-I88 VanDerWaalsContact C-N 3.28Å; D86-I88 PolarHBondContact O-N 3.43Å; I88-R90 PolarHBondContact O-N 2.81Å; I88-T91 WeakPolarHBondContact O-CA 3.13Å; I88-T91 WeakPolarHBondContact O-CB 3.49Å; I88-T91 PolarHBondContact O-N 2.83Å; I88-I92 HydrophobicContact CG2-CD1 4.23Å; I88-I92 PolarHBondContact O-N 3.45Å; I88-Y104 HydrophobicContact CD1-CE1 4.11Å; I88-Y104 HydrophobicContact CG2-CE1 4Å; I88-Y104 HydrophobicContact CG2-CE2 4.01Å |
| 89 | F | 93.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | -177.4 | -64.6 | -20.4 | 0 | 0 | 0 | 111.8 | Y85 D86 T91 I92 G93 V97 Y104 L108 I126 H130 | Y85-F89 HydrophobicContact CD1-CE1 4.44Å; Y85-F89 HydrophobicContact CD1-CE2 4.43Å; Y85-F89 AromaticContact CD1-CZ 3.98Å; Y85-F89 HydrophobicContact CD1-CZ 3.98Å; Y85-F89 WeakPolarHBondContact O-CG 3.23Å; Y85-F89 PolarHBondContact O-N 3.44Å; D86-F89 PolarHBondContact O-N 3.4Å; F89-T91 PolarHBondContact O-N 2.88Å; F89-I92 HydrophobicContact CD1-CD1 4.43Å; F89-I92 PolarHBondContact O-N 3.11Å; F89-G93 PolarHBondContact O-N 3.03Å; F89-V97 HydrophobicContact CB-CG2 3.8Å; F89-V97 HydrophobicContact CD1-CB 4.46Å; F89-V97 HydrophobicContact CD1-CG1 3.99Å; F89-V97 HydrophobicContact CD1-CG2 3.73Å; F89-V97 HydrophobicContact CE1-CG1 4.1Å; F89-V97 HydrophobicContact CG-CG1 4.27Å; F89-V97 HydrophobicContact CG-CG2 3.94Å; F89-V97 HydrophobicContact CZ-CG1 4.47Å; F89-Y104 HydrophobicContact CE1-CD2 4.01Å; F89-Y104 AromaticContact CE1-CG 3.97Å; F89-Y104 HydrophobicContact CE1-CG 3.97Å; F89-L108 HydrophobicContact CE2-CD1 3.64Å; F89-L108 HydrophobicContact CZ-CD1 3.55Å; F89-I126 HydrophobicContact CD2-CG2 4.29Å; F89-I126 HydrophobicContact CE2-CG2 4.04Å; F89-H130 HydrophobicContact CB-CB 4.09Å; F89-H130 HydrophobicContact CD2-CB 3.59Å; F89-H130 AromaticContact CD2-CD2 3.95Å; F89-H130 AromaticContact CD2-CG 3.72Å; F89-H130 HydrophobicContact CE2-CB 4.36Å; F89-H130 HydrophobicContact CG-CB 4.2Å |
| 90 | R | 92.2 | Very high | 91.4 | Very high | 149 Ų | 149 | 39.4 Ų | 39.4 | 56% | 0.562 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.2 | -20.9 | 170 | -67.5 | 179.5 | 172.6 | 157.2 | -3 | 113.7 | D86 I88 E129 H130 | D86-R90 VanDerWaalsContact CG-NH1 3.29Å; D86-R90 WeakPolarHBondContact O-CB 3.32Å; D86-R90 WeakPolarHBondContact O-CG 3.36Å; D86-R90 PolarHBondContact O-N 2.98Å; D86-R90 WeakPolarHBondContact OD1-CD 3.37Å; D86-R90 IonicContact OD1-CZ 3.9Å; D86-R90 IonicContact OD1-NE 3.18Å; D86-R90 PolarHBondContact OD1-NE 3.01Å; D86-R90 IonicContact OD1-NH1 2.93Å; D86-R90 PolarHBondContact OD1-NH1 3.45Å; D86-R90 IonicContact OD1-NH2 2.74Å; D86-R90 PolarHBondContact OD1-NH2 3.26Å; D86-R90 IonicContact OD2-CZ 2.98Å; D86-R90 IonicContact OD2-NE 2.83Å; D86-R90 IonicContact OD2-NH1 3.63Å; D86-R90 PolarHBondContact OD2-NH1 3.41Å; I88-R90 PolarHBondContact O-N 2.81Å; R90-E129 IonicContact CZ-OE2 3.97Å; R90-E129 IonicContact NE-OE2 3.92Å; R90-E129 VanDerWaalsContact NH2-CD 3.32Å; R90-E129 IonicContact NH2-OE1 3.03Å; R90-E129 PolarHBondContact NH2-OE1 3.09Å; R90-E129 IonicContact NH2-OE2 3.58Å; R90-E129 PolarHBondContact NH2-OE2 3.37Å; R90-H130 VanDerWaalsContact CG-CE1 3.5Å; R90-H130 WeakPolarHBondContact CG-CE1 3.29Å |
| 91 | T | 89.9 | Confident | 91.2 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -90.3 | -35.9 | 178.8 | -63.6 | 0 | 0 | 0 | 0 | 113.6 | I46 V55 V87 I88 F89 | I46-T91 HydrophobicContact CG2-CG2 4.09Å; V55-T91 HydrophobicContact CG2-CG2 4.2Å; V87-T91 VanDerWaalsContact O-CB 3.3Å; V87-T91 WeakPolarHBondContact O-CB 3.29Å; V87-T91 PolarHBondContact O-N 2.98Å; V87-T91 PolarHBondContact O-OG1 2.9Å; I88-T91 WeakPolarHBondContact O-CA 3.13Å; I88-T91 WeakPolarHBondContact O-CB 3.49Å; I88-T91 PolarHBondContact O-N 2.83Å; F89-T91 PolarHBondContact O-N 2.88Å |
| 92 | I | 89.7 | Confident | 90.9 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -93.9 | -20.9 | -176.7 | 70.1 | -177.7 | 0 | 0 | 0 | 113.7 | V55 I88 F89 R96 V97 D100 Y104 | V55-I92 HydrophobicContact CB-CG2 4.27Å; V55-I92 HydrophobicContact CG2-CG2 3.68Å; I88-I92 HydrophobicContact CG2-CD1 4.23Å; I88-I92 PolarHBondContact O-N 3.45Å; F89-I92 HydrophobicContact CD1-CD1 4.43Å; F89-I92 PolarHBondContact O-N 3.11Å; I92-R96 HydrophobicContact CB-CB 4.09Å; I92-R96 HydrophobicContact CB-CG 4.3Å; I92-R96 HydrophobicContact CG1-CB 4.31Å; I92-R96 WeakPolarHBondContact O-CB 3.27Å; I92-V97 HydrophobicContact CD1-CG2 3.95Å; I92-V97 HydrophobicContact CG1-CG2 3.69Å; I92-D100 HydrophobicContact CD1-CB 4.44Å; I92-Y104 HydrophobicContact CD1-CE2 4.12Å |
| 93 | G | 88.2 | Confident | 90.7 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 26% | 0.258 | 21% | 0.208 | S | C | . | . | trans | 75.6 | 158.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F89 E95 R96 V97 | F89-G93 PolarHBondContact O-N 3.03Å; G93-E95 PolarHBondContact O-N 3.24Å; G93-R96 PolarHBondContact O-N 2.66Å; G93-R96 VanDerWaalsContact O-N 3.09Å; G93-V97 WeakPolarHBondContact O-CG2 3.41Å; G93-V97 PolarHBondContact O-N 3.1Å | ||
| 94 | P | 87.3 | Confident | 90.6 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 53% | 0.532 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.6 | -39 | -162.7 | 20.8 | -33.2 | 0 | 0 | 0 | 114.4 | R96 V97 A98 L134 | P94-R96 PolarHBondContact O-N 3.01Å; P94-V97 PolarHBondContact O-N 3.29Å; P94-A98 PolarHBondContact O-N 3.16Å; P94-L134 HydrophobicContact CB-CD2 3.66Å; P94-L134 VanDerWaalsContact O-CD2 3.26Å; P94-L134 WeakPolarHBondContact O-CD2 3.25Å |
| 95 | E | 84.7 | Confident | 90.4 | Very high | 159 Ų | 159 | 40.5 Ų | 40.5 | 74% | 0.743 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -62.3 | -41 | 178.4 | -63 | -175.9 | 164.9 | 0 | 0 | 112.3 | G93 Y99 | G93-E95 PolarHBondContact O-N 3.24Å; E95-Y99 PolarHBondContact O-N 3.03Å |
| 96 | R | 86 | Confident | 90.1 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -81.5 | -26.4 | 176.3 | -160.6 | 72.8 | -174.2 | -135.7 | 11.3 | 112 | D3 I92 G93 P94 A98 Y99 D100 | D3-R96 IonicContact OD1-CZ 3.66Å; D3-R96 IonicContact OD1-NH1 2.86Å; D3-R96 PolarHBondContact OD1-NH1 3.26Å; D3-R96 IonicContact OD1-NH2 3.36Å; D3-R96 IonicContact OD2-CZ 2.65Å; D3-R96 IonicContact OD2-NH1 2.66Å; D3-R96 PolarHBondContact OD2-NH1 3.04Å; D3-R96 IonicContact OD2-NH2 2.78Å; D3-R96 PolarHBondContact OD2-NH2 3.44Å; I92-R96 HydrophobicContact CB-CB 4.09Å; I92-R96 HydrophobicContact CB-CG 4.3Å; I92-R96 HydrophobicContact CG1-CB 4.31Å; I92-R96 WeakPolarHBondContact O-CB 3.27Å; G93-R96 PolarHBondContact O-N 2.66Å; G93-R96 VanDerWaalsContact O-N 3.09Å; P94-R96 PolarHBondContact O-N 3.01Å; R96-A98 VanDerWaalsContact C-N 3.35Å; R96-Y99 PolarHBondContact O-N 3.46Å; R96-D100 IonicContact CZ-OD1 2.89Å; R96-D100 IonicContact NE-OD1 3.26Å; R96-D100 PolarHBondContact NE-OD1 2.81Å; R96-D100 IonicContact NH2-OD1 3.02Å; R96-D100 WeakPolarHBondContact O-CB 3.47Å; R96-D100 PolarHBondContact O-N 3.44Å |
| 97 | V | 89.7 | Confident | 89.8 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -49 | 167 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | F89 I92 G93 P94 Y99 L101 L131 L134 | F89-V97 HydrophobicContact CB-CG2 3.8Å; F89-V97 HydrophobicContact CD1-CB 4.46Å; F89-V97 HydrophobicContact CD1-CG1 3.99Å; F89-V97 HydrophobicContact CD1-CG2 3.73Å; F89-V97 HydrophobicContact CE1-CG1 4.1Å; F89-V97 HydrophobicContact CG-CG1 4.27Å; F89-V97 HydrophobicContact CG-CG2 3.94Å; F89-V97 HydrophobicContact CZ-CG1 4.47Å; I92-V97 HydrophobicContact CD1-CG2 3.95Å; I92-V97 HydrophobicContact CG1-CG2 3.69Å; G93-V97 WeakPolarHBondContact O-CG2 3.41Å; G93-V97 PolarHBondContact O-N 3.1Å; P94-V97 PolarHBondContact O-N 3.29Å; V97-Y99 VanDerWaalsContact C-N 3.35Å; V97-Y99 PolarHBondContact O-N 2.87Å; V97-L101 WeakPolarHBondContact O-CA 3.3Å; V97-L101 VanDerWaalsContact O-CB 3.31Å; V97-L101 WeakPolarHBondContact O-CB 3.33Å; V97-L101 PolarHBondContact O-N 3.16Å; V97-L131 HydrophobicContact CG1-CD2 4.23Å; V97-L134 HydrophobicContact CG1-CD1 4.05Å |
| 98 | A | 87.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 43 Ų | 43 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P94 R96 L134 L137 | P94-A98 PolarHBondContact O-N 3.16Å; R96-A98 VanDerWaalsContact C-N 3.35Å; A98-L134 HydrophobicContact CB-CD1 4.28Å; A98-L134 HydrophobicContact CB-CD2 4.37Å; A98-L137 HydrophobicContact CB-CB 3.82Å |
| 99 | Y | 87 | Confident | 89.8 | Confident | 144 Ų | 144 | 44.3 Ų | 44.3 | 57% | 0.565 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -70.2 | -49.9 | 177.1 | -173.3 | -93.9 | 0 | 0 | 0 | 112.8 | E95 R96 V97 L101 Y102 | E95-Y99 PolarHBondContact O-N 3.03Å; R96-Y99 PolarHBondContact O-N 3.46Å; V97-Y99 VanDerWaalsContact C-N 3.35Å; V97-Y99 PolarHBondContact O-N 2.87Å; Y99-L101 PolarHBondContact O-N 2.75Å; Y99-Y102 HydrophobicContact CE1-CE1 4.47Å; Y99-Y102 WeakPolarHBondContact O-CD1 3.49Å; Y99-Y102 WeakPolarHBondContact O-CE1 3.43Å |
| 100 | D | 89.7 | Confident | 89.6 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.011 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -77.2 | 3.9 | -179.2 | -69.8 | 6.8 | 0 | 0 | 0 | 112.5 | I92 R96 Y102 V103 Y104 | I92-D100 HydrophobicContact CD1-CB 4.44Å; R96-D100 IonicContact CZ-OD1 2.89Å; R96-D100 IonicContact NE-OD1 3.26Å; R96-D100 PolarHBondContact NE-OD1 2.81Å; R96-D100 IonicContact NH2-OD1 3.02Å; R96-D100 WeakPolarHBondContact O-CB 3.47Å; R96-D100 PolarHBondContact O-N 3.44Å; D100-Y102 PolarHBondContact O-N 3.14Å; D100-V103 WeakPolarHBondContact O-CA 3.18Å; D100-V103 VanDerWaalsContact O-CB 3.25Å; D100-V103 WeakPolarHBondContact O-CB 3.44Å; D100-V103 PolarHBondContact O-N 3.29Å; D100-Y104 HydrophobicContact CB-CD2 3.82Å; D100-Y104 HydrophobicContact CB-CE2 3.68Å; D100-Y104 WeakPolarHBondContact O-CD2 3.48Å; D100-Y104 PolarHBondContact O-N 3.15Å |
| 101 | L | 90.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -25.5 | -173.8 | -165.3 | 49.9 | 0 | 0 | 0 | 113.6 | V97 Y99 V103 Y104 G105 F109 L131 L138 | V97-L101 WeakPolarHBondContact O-CA 3.3Å; V97-L101 VanDerWaalsContact O-CB 3.31Å; V97-L101 WeakPolarHBondContact O-CB 3.33Å; V97-L101 PolarHBondContact O-N 3.16Å; Y99-L101 PolarHBondContact O-N 2.75Å; L101-V103 PolarHBondContact O-N 3.17Å; L101-Y104 PolarHBondContact O-N 3.15Å; L101-G105 WeakPolarHBondContact O-CA 3.38Å; L101-G105 PolarHBondContact O-N 2.78Å; L101-F109 HydrophobicContact CD1-CE1 4.4Å; L101-F109 HydrophobicContact CD1-CZ 3.93Å; L101-F109 HydrophobicContact CD2-CZ 4.18Å; L101-F109 HydrophobicContact CG-CZ 3.97Å; L101-L131 HydrophobicContact CD1-CD2 3.94Å; L101-L131 HydrophobicContact CD2-CD2 4.27Å; L101-L138 HydrophobicContact CD2-CD1 3.38Å |
| 102 | Y | 89.2 | Confident | 89.5 | Confident | 138 Ų | 138 | 40 Ų | 40 | 54% | 0.541 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67 | -19.3 | 171.5 | 70.3 | -91.2 | 0 | 0 | 0 | 113.2 | Y99 D100 P106 | Y99-Y102 HydrophobicContact CE1-CE1 4.47Å; Y99-Y102 WeakPolarHBondContact O-CD1 3.49Å; Y99-Y102 WeakPolarHBondContact O-CE1 3.43Å; D100-Y102 PolarHBondContact O-N 3.14Å; Y102-P106 WeakPolarHBondContact O-CD 3.46Å; Y102-P106 WeakPolarHBondContact O-CG 3.41Å |
| 103 | V | 91.2 | Very high | 89.3 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -86.4 | -43.9 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | S58 D100 L101 | S58-V103 VanDerWaalsContact O-CG1 3.32Å; S58-V103 WeakPolarHBondContact O-CG1 3.28Å; D100-V103 WeakPolarHBondContact O-CA 3.18Å; D100-V103 VanDerWaalsContact O-CB 3.25Å; D100-V103 WeakPolarHBondContact O-CB 3.44Å; D100-V103 PolarHBondContact O-N 3.29Å; L101-V103 PolarHBondContact O-N 3.17Å |
| 104 | Y | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -93.8 | -35.3 | -170.3 | -66.7 | -61.1 | 0 | 0 | 0 | 113.5 | S58 I61 L65 Y85 I88 F89 I92 D100 L101 | S58-Y104 VanDerWaalsContact CB-OH 3.31Å; S58-Y104 WeakPolarHBondContact CB-OH 3.47Å; I61-Y104 HydrophobicContact CG2-CE1 4.33Å; L65-Y104 HydrophobicContact CD1-CD1 4.48Å; Y85-Y104 HydrophobicContact CD1-CD1 4.29Å; Y85-Y104 AromaticContact CE1-CD1 3.93Å; Y85-Y104 HydrophobicContact CE1-CD1 3.93Å; Y85-Y104 HydrophobicContact CE1-CG 4.31Å; Y85-Y104 WeakPolarHBondContact CE1-O 3.27Å; Y85-Y104 PolarHBondContact OH-O 3.23Å; I88-Y104 HydrophobicContact CD1-CE1 4.11Å; I88-Y104 HydrophobicContact CG2-CE1 4Å; I88-Y104 HydrophobicContact CG2-CE2 4.01Å; F89-Y104 HydrophobicContact CE1-CD2 4.01Å; F89-Y104 AromaticContact CE1-CG 3.97Å; F89-Y104 HydrophobicContact CE1-CG 3.97Å; I92-Y104 HydrophobicContact CD1-CE2 4.12Å; D100-Y104 HydrophobicContact CB-CD2 3.82Å; D100-Y104 HydrophobicContact CB-CE2 3.68Å; D100-Y104 WeakPolarHBondContact O-CD2 3.48Å; D100-Y104 PolarHBondContact O-N 3.15Å; L101-Y104 PolarHBondContact O-N 3.15Å |
| 105 | G | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | L101 G107 L108 F109 | L101-G105 WeakPolarHBondContact O-CA 3.38Å; L101-G105 PolarHBondContact O-N 2.78Å; G105-G107 PolarHBondContact O-N 2.67Å; G105-G107 VanDerWaalsContact O-N 3.11Å; G105-L108 PolarHBondContact O-N 2.98Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 WeakPolarHBondContact O-CG 3.42Å; G105-F109 PolarHBondContact O-N 3.41Å |
| 106 | P | 88.6 | Confident | 89.4 | Confident | 83 Ų | 83 | 37.9 Ų | 37.9 | 54% | 0.539 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.4 | -30.7 | -175.8 | -29.4 | 36.6 | 0 | 0 | 0 | 115.2 | Y102 | Y102-P106 WeakPolarHBondContact O-CD 3.46Å; Y102-P106 WeakPolarHBondContact O-CG 3.41Å |
| 107 | G | 89.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -79.2 | -45.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L69 G105 | L69-G107 WeakPolarHBondContact CD1-O 3.39Å; G105-G107 PolarHBondContact O-N 2.67Å; G105-G107 VanDerWaalsContact O-N 3.11Å |
| 108 | L | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | -176.7 | -73.9 | 172.8 | 0 | 0 | 0 | 113.5 | L69 L82 Y85 F89 G105 A110 L123 Y127 | L69-L108 HydrophobicContact CD1-CD2 4.24Å; L82-L108 HydrophobicContact CD2-CD2 3.5Å; Y85-L108 HydrophobicContact CD1-CD1 3.64Å; Y85-L108 HydrophobicContact CD1-CD2 4.16Å; Y85-L108 HydrophobicContact CD1-CG 3.91Å; Y85-L108 HydrophobicContact CD2-CD2 3.72Å; Y85-L108 HydrophobicContact CD2-CG 4.2Å; Y85-L108 HydrophobicContact CE1-CD1 3.78Å; Y85-L108 HydrophobicContact CE1-CD2 4.31Å; Y85-L108 HydrophobicContact CE1-CG 3.73Å; Y85-L108 HydrophobicContact CE2-CD2 3.91Å; Y85-L108 HydrophobicContact CE2-CG 4.06Å; Y85-L108 HydrophobicContact CG-CD1 4.09Å; Y85-L108 HydrophobicContact CG-CD2 3.84Å; Y85-L108 HydrophobicContact CG-CG 4.11Å; F89-L108 HydrophobicContact CE2-CD1 3.64Å; F89-L108 HydrophobicContact CZ-CD1 3.55Å; G105-L108 PolarHBondContact O-N 2.98Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-L123 HydrophobicContact CD2-CD1 4.07Å; L108-Y127 HydrophobicContact CB-CE1 4.47Å; L108-Y127 PolarHBondContact O-OH 3.06Å |
| 109 | F | 92.9 | Very high | 89.5 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -23.3 | -176.1 | -53 | -21.9 | 0 | 0 | 0 | 112.4 | L101 G105 L111 L131 G144 L145 G148 | L101-F109 HydrophobicContact CD1-CE1 4.4Å; L101-F109 HydrophobicContact CD1-CZ 3.93Å; L101-F109 HydrophobicContact CD2-CZ 4.18Å; L101-F109 HydrophobicContact CG-CZ 3.97Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 WeakPolarHBondContact O-CG 3.42Å; G105-F109 PolarHBondContact O-N 3.41Å; F109-L111 VanDerWaalsContact C-N 3.35Å; F109-L131 HydrophobicContact CE1-CD1 3.96Å; F109-G144 VanDerWaalsContact CD2-C 3.45Å; F109-L145 HydrophobicContact CD1-CB 4.1Å; F109-L145 HydrophobicContact CD1-CD1 3.66Å; F109-L145 HydrophobicContact CD1-CG 4.49Å; F109-L145 HydrophobicContact CE1-CB 3.84Å; F109-L145 HydrophobicContact CE1-CD1 3.68Å; F109-L145 HydrophobicContact CE1-CG 4.29Å; F109-L145 HydrophobicContact CE2-CB 4.34Å; F109-L145 HydrophobicContact CG-CB 4.48Å; F109-L145 HydrophobicContact CZ-CB 3.96Å; F109-G148 WeakPolarHBondContact O-CA 3.38Å |
| 110 | A | 89.7 | Confident | 89.7 | Confident | 68 Ų | 68 | 37.6 Ų | 37.6 | 56% | 0.562 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -6.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L108 P114 | L108-A110 VanDerWaalsContact C-N 3.35Å; A110-P114 WeakPolarHBondContact O-CD 3.28Å; A110-P114 WeakPolarHBondContact O-CG 3.33Å |
| 111 | L | 91.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -83.6 | -35 | -168.4 | -175.8 | 63 | 0 | 0 | 0 | 114.2 | L69 L82 F109 E113 P114 S115 V119 L123 | L69-L111 HydrophobicContact CB-CD1 4.33Å; L69-L111 HydrophobicContact CD1-CD2 4.08Å; L69-L111 HydrophobicContact CD2-CD1 4.29Å; L69-L111 HydrophobicContact CD2-CD2 3.71Å; L69-L111 HydrophobicContact CG-CD2 4.38Å; L82-L111 HydrophobicContact CD1-CD2 4Å; L82-L111 HydrophobicContact CD2-CD2 3.9Å; L82-L111 HydrophobicContact CG-CD2 4.22Å; F109-L111 VanDerWaalsContact C-N 3.35Å; L111-E113 PolarHBondContact O-N 3.2Å; L111-P114 VanDerWaalsContact O-CD 3.29Å; L111-P114 WeakPolarHBondContact O-CD 3.4Å; L111-P114 WeakPolarHBondContact O-CG 3.23Å; L111-S115 WeakPolarHBondContact O-CB 3.46Å; L111-S115 PolarHBondContact O-N 3.3Å; L111-S115 PolarHBondContact O-OG 3.12Å; L111-V119 HydrophobicContact CD2-CG1 3.85Å; L111-V119 HydrophobicContact CG-CG1 4.35Å; L111-L123 HydrophobicContact CB-CD2 3.89Å; L111-L123 HydrophobicContact CD2-CD1 4.14Å; L111-L123 HydrophobicContact CD2-CD2 4.06Å; L111-L123 HydrophobicContact CG-CD2 4.03Å |
| 112 | L | 89.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -48.6 | -163.8 | -176.3 | 62.6 | 0 | 0 | 0 | 113.4 | S115 K120 L123 F124 G148 L149 | L112-S115 PolarHBondContact O-OG 3.16Å; L112-K120 HydrophobicContact CD1-CB 4.45Å; L112-K120 HydrophobicContact CD1-CD 4.42Å; L112-K120 HydrophobicContact CD1-CG 4.17Å; L112-K120 WeakPolarHBondContact O-CE 3.43Å; L112-L123 HydrophobicContact CB-CD2 3.78Å; L112-L123 HydrophobicContact CD1-CD2 4Å; L112-L123 HydrophobicContact CG-CD2 4.5Å; L112-F124 HydrophobicContact CD1-CE1 4.03Å; L112-F124 HydrophobicContact CD1-CE2 3.93Å; L112-F124 HydrophobicContact CD1-CZ 3.6Å; L112-F124 HydrophobicContact CD2-CE1 3.99Å; L112-F124 HydrophobicContact CD2-CZ 4.02Å; L112-F124 HydrophobicContact CG-CZ 4.46Å; L112-G148 WeakPolarHBondContact CB-O 3.41Å; L112-G148 WeakPolarHBondContact CD2-O 3.46Å; L112-L149 HydrophobicContact CD2-CD1 4.21Å |
| 113 | E | 85.2 | Confident | 90 | Very high | 116 Ų | 116 | 34.8 Ų | 34.8 | 54% | 0.542 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -56.4 | -179.7 | -179.3 | 174.8 | -167.3 | 0 | 0 | 113.2 | L111 S115 P151 | L111-E113 PolarHBondContact O-N 3.2Å; E113-S115 VanDerWaalsContact C-N 3.3Å; E113-S115 PolarHBondContact O-N 3.33Å; E113-P151 HydrophobicContact CB-CB 3.84Å; E113-P151 HydrophobicContact CB-CG 4.07Å; E113-P151 HydrophobicContact CG-CB 4.23Å; E113-P151 HydrophobicContact CG-CG 4.48Å |
| 114 | P | 88 | Confident | 90.1 | Very high | 63 Ų | 63 | 34.3 Ų | 34.3 | 41% | 0.409 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -6.8 | 179.5 | 30.7 | -38.3 | 0 | 0 | 0 | 115.4 | P71 A110 L111 | P71-P114 HydrophobicContact CB-CB 3.91Å; P71-P114 HydrophobicContact CG-CB 3.76Å; P71-P114 HydrophobicContact CG-CG 3.87Å; A110-P114 WeakPolarHBondContact O-CD 3.28Å; A110-P114 WeakPolarHBondContact O-CG 3.33Å; L111-P114 VanDerWaalsContact O-CD 3.29Å; L111-P114 WeakPolarHBondContact O-CD 3.4Å; L111-P114 WeakPolarHBondContact O-CG 3.23Å |
| 115 | S | 86.3 | Confident | 90.1 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -77.1 | 143.7 | -172.5 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | L111 L112 E113 K120 | L111-S115 WeakPolarHBondContact O-CB 3.46Å; L111-S115 PolarHBondContact O-N 3.3Å; L111-S115 PolarHBondContact O-OG 3.12Å; L112-S115 PolarHBondContact O-OG 3.16Å; E113-S115 VanDerWaalsContact C-N 3.3Å; E113-S115 PolarHBondContact O-N 3.33Å; S115-K120 WeakPolarHBondContact O-CE 3.35Å; S115-K120 VanDerWaalsContact OG-CG 3.3Å; S115-K120 WeakPolarHBondContact OG-CG 3.49Å |
| 116 | A | 87.5 | Confident | 90.3 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 41% | 0.405 | 23% | 0.228 | S | C | . | . | trans | -65.6 | 151.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A75 T118 V119 K120 | A75-A116 HydrophobicContact CB-CB 4.15Å; A116-T118 PolarHBondContact O-N 3.21Å; A116-V119 HydrophobicContact CB-CG2 4.45Å; A116-V119 WeakPolarHBondContact O-CA 3.11Å; A116-V119 WeakPolarHBondContact O-CB 3.48Å; A116-V119 PolarHBondContact O-N 2.88Å; A116-K120 PolarHBondContact O-N 2.78Å | ||
| 117 | M | 86.1 | Confident | 90.5 | Very high | 92 Ų | 92 | 33.5 Ų | 33.5 | 45% | 0.453 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.5 | -33.6 | -175.7 | -58.8 | -51.3 | -161.9 | 0 | 0 | 113.9 | V119 K120 F159 | M117-V119 PolarHBondContact O-N 2.63Å; M117-K120 PolarHBondContact O-N 2.77Å; M117-K120 HydrophobicContact SD-CD 3.9Å; M117-F159 HydrophobicContact CB-CE2 4.22Å; M117-F159 HydrophobicContact SD-CD2 4.43Å; M117-F159 HydrophobicContact SD-CE2 4.15Å |
| 118 | T | 89.2 | Confident | 90.7 | Very high | 98 Ų | 98 | 36 Ų | 36 | 60% | 0.601 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.8 | -18.9 | 176.7 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | A116 P122 | A116-T118 PolarHBondContact O-N 3.21Å; T118-P122 WeakPolarHBondContact O-CD 3.34Å |
| 119 | V | 91.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -94.9 | -27.8 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | A75 H78 L82 L111 A116 M117 S121 P122 L123 | A75-V119 HydrophobicContact CB-CG2 3.61Å; H78-V119 HydrophobicContact CB-CG1 3.7Å; H78-V119 HydrophobicContact CB-CG2 3.91Å; L82-V119 HydrophobicContact CD1-CG1 3.81Å; L111-V119 HydrophobicContact CD2-CG1 3.85Å; L111-V119 HydrophobicContact CG-CG1 4.35Å; A116-V119 HydrophobicContact CB-CG2 4.45Å; A116-V119 WeakPolarHBondContact O-CA 3.11Å; A116-V119 WeakPolarHBondContact O-CB 3.48Å; A116-V119 PolarHBondContact O-N 2.88Å; M117-V119 PolarHBondContact O-N 2.63Å; V119-S121 PolarHBondContact O-N 3.31Å; V119-P122 WeakPolarHBondContact O-CD 3.25Å; V119-L123 PolarHBondContact O-N 3.31Å; V119-L123 VanDerWaalsContact O-N 3.11Å |
| 120 | K | 90.2 | Very high | 90.8 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 10% | 0.1 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | -177.7 | -67.7 | -169.8 | -178.5 | -172.8 | 0 | 112.5 | L112 S115 A116 M117 L123 F124 F159 | L112-K120 HydrophobicContact CD1-CB 4.45Å; L112-K120 HydrophobicContact CD1-CD 4.42Å; L112-K120 HydrophobicContact CD1-CG 4.17Å; L112-K120 WeakPolarHBondContact O-CE 3.43Å; S115-K120 WeakPolarHBondContact O-CE 3.35Å; S115-K120 VanDerWaalsContact OG-CG 3.3Å; S115-K120 WeakPolarHBondContact OG-CG 3.49Å; A116-K120 PolarHBondContact O-N 2.78Å; M117-K120 PolarHBondContact O-N 2.77Å; M117-K120 HydrophobicContact SD-CD 3.9Å; K120-L123 PolarHBondContact O-N 3.49Å; K120-F124 HydrophobicContact CB-CE2 4.26Å; K120-F124 WeakPolarHBondContact O-CD2 3.29Å; K120-F124 PolarHBondContact O-N 2.87Å; K120-F159 HydrophobicContact CB-CD2 3.97Å; K120-F159 HydrophobicContact CB-CE2 3.86Å; K120-F159 HydrophobicContact CB-CG 4.38Å; K120-F159 HydrophobicContact CB-CZ 4.16Å; K120-F159 HydrophobicContact CD-CD2 3.99Å; K120-F159 HydrophobicContact CD-CE2 4.29Å |
| 121 | S | 90.5 | Very high | 91 | Very high | 40 Ų | 40 | 37.4 Ų | 37.4 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.7 | -56.2 | 176.8 | -169.9 | 0 | 0 | 0 | 0 | 112.6 | V119 L123 F124 D125 R162 | V119-S121 PolarHBondContact O-N 3.31Å; S121-L123 PolarHBondContact O-N 3.35Å; S121-F124 PolarHBondContact O-N 3.43Å; S121-D125 PolarHBondContact O-N 3.14Å; S121-D125 PolarHBondContact OG-OD2 2.87Å; S121-R162 PolarHBondContact OG-NH1 3.25Å |
| 122 | P | 92.8 | Very high | 91.1 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -52.9 | -30 | 175.8 | -29.9 | 35.8 | 0 | 0 | 0 | 115.2 | L82 T118 V119 D125 I126 | L82-P122 HydrophobicContact CD1-CB 3.94Å; T118-P122 WeakPolarHBondContact O-CD 3.34Å; V119-P122 WeakPolarHBondContact O-CD 3.25Å; P122-D125 WeakPolarHBondContact CA-OD2 3.46Å; P122-I126 WeakPolarHBondContact O-CG1 3.26Å; P122-I126 PolarHBondContact O-N 3.31Å |
| 123 | L | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.8 | -46.2 | 174.7 | -177.1 | 60.8 | 0 | 0 | 0 | 112.2 | L82 L108 L111 L112 V119 K120 S121 D125 I126 Y127 | L82-L123 HydrophobicContact CD1-CB 4.12Å; L82-L123 HydrophobicContact CD2-CD1 4.01Å; L108-L123 HydrophobicContact CD2-CD1 4.07Å; L111-L123 HydrophobicContact CB-CD2 3.89Å; L111-L123 HydrophobicContact CD2-CD1 4.14Å; L111-L123 HydrophobicContact CD2-CD2 4.06Å; L111-L123 HydrophobicContact CG-CD2 4.03Å; L112-L123 HydrophobicContact CB-CD2 3.78Å; L112-L123 HydrophobicContact CD1-CD2 4Å; L112-L123 HydrophobicContact CG-CD2 4.5Å; V119-L123 PolarHBondContact O-N 3.31Å; V119-L123 VanDerWaalsContact O-N 3.11Å; K120-L123 PolarHBondContact O-N 3.49Å; S121-L123 PolarHBondContact O-N 3.35Å; L123-D125 VanDerWaalsContact C-N 3.31Å; L123-D125 PolarHBondContact O-N 3.47Å; L123-I126 PolarHBondContact O-N 3.42Å; L123-Y127 HydrophobicContact CD1-CD1 4.22Å; L123-Y127 HydrophobicContact CD1-CE1 3.46Å; L123-Y127 VanDerWaalsContact CD1-CE1 3.46Å; L123-Y127 HydrophobicContact CG-CE1 3.95Å; L123-Y127 HydrophobicContact CG-CE2 4.17Å; L123-Y127 WeakPolarHBondContact O-CD1 3.23Å; L123-Y127 PolarHBondContact O-N 3.31Å |
| 124 | F | 92.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -39 | 173.3 | -71.9 | -55.3 | 0 | 0 | 0 | 112 | L112 K120 S121 I126 Y127 E128 L149 F159 M166 | L112-F124 HydrophobicContact CD1-CE1 4.03Å; L112-F124 HydrophobicContact CD1-CE2 3.93Å; L112-F124 HydrophobicContact CD1-CZ 3.6Å; L112-F124 HydrophobicContact CD2-CE1 3.99Å; L112-F124 HydrophobicContact CD2-CZ 4.02Å; L112-F124 HydrophobicContact CG-CZ 4.46Å; K120-F124 HydrophobicContact CB-CE2 4.26Å; K120-F124 WeakPolarHBondContact O-CD2 3.29Å; K120-F124 PolarHBondContact O-N 2.87Å; S121-F124 PolarHBondContact O-N 3.43Å; F124-I126 VanDerWaalsContact C-N 3.31Å; F124-I126 PolarHBondContact O-N 3.12Å; F124-Y127 HydrophobicContact CD1-CD2 4.39Å; F124-Y127 PolarHBondContact O-N 2.91Å; F124-Y127 VanDerWaalsContact O-N 3.13Å; F124-E128 WeakPolarHBondContact O-CG 3.33Å; F124-E128 PolarHBondContact O-N 3.01Å; F124-L149 HydrophobicContact CD1-CD1 4.36Å; F124-L149 HydrophobicContact CE1-CD1 3.78Å; F124-F159 HydrophobicContact CD2-CB 4.47Å; F124-F159 HydrophobicContact CD2-CD1 4.16Å; F124-F159 HydrophobicContact CD2-CG 4.48Å; F124-F159 HydrophobicContact CE2-CB 3.56Å; F124-F159 HydrophobicContact CE2-CD1 4.01Å; F124-F159 AromaticContact CE2-CG 3.88Å; F124-F159 HydrophobicContact CE2-CG 3.88Å; F124-F159 HydrophobicContact CZ-CB 4.18Å; F124-M166 HydrophobicContact CB-CE 3.73Å; F124-M166 HydrophobicContact CD1-CE 3.36Å; F124-M166 HydrophobicContact CD1-SD 3.77Å; F124-M166 HydrophobicContact CE1-CE 4.28Å; F124-M166 HydrophobicContact CE1-SD 4.36Å; F124-M166 HydrophobicContact CG-CE 3.92Å |
| 125 | D | 93.9 | Very high | 91.6 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 176.9 | -56 | -33.3 | 0 | 0 | 0 | 110.6 | S121 P122 L123 E128 E129 R162 | S121-D125 PolarHBondContact O-N 3.14Å; S121-D125 PolarHBondContact OG-OD2 2.87Å; P122-D125 WeakPolarHBondContact CA-OD2 3.46Å; L123-D125 VanDerWaalsContact C-N 3.31Å; L123-D125 PolarHBondContact O-N 3.47Å; D125-E128 PolarHBondContact O-N 2.92Å; D125-E129 WeakPolarHBondContact O-CB 3.43Å; D125-E129 PolarHBondContact O-N 2.91Å; D125-R162 IonicContact OD1-CZ 2.68Å; D125-R162 IonicContact OD1-NH1 3.69Å; D125-R162 PolarHBondContact OD1-NH1 3.47Å; D125-R162 IonicContact OD1-NH2 3.34Å; D125-R162 PolarHBondContact OD1-NH2 2.86Å |
| 126 | I | 94.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.9 | -37.1 | 174.2 | -74 | 165.9 | 0 | 0 | 0 | 112.7 | L82 D86 F89 P122 L123 F124 H130 | L82-I126 HydrophobicContact CB-CD1 3.65Å; L82-I126 HydrophobicContact CD2-CD1 3.93Å; L82-I126 HydrophobicContact CG-CD1 4.27Å; L82-I126 WeakPolarHBondContact O-CD1 3.42Å; D86-I126 HydrophobicContact CB-CG1 4.46Å; F89-I126 HydrophobicContact CD2-CG2 4.29Å; F89-I126 HydrophobicContact CE2-CG2 4.04Å; P122-I126 WeakPolarHBondContact O-CG1 3.26Å; P122-I126 PolarHBondContact O-N 3.31Å; L123-I126 PolarHBondContact O-N 3.42Å; F124-I126 VanDerWaalsContact C-N 3.31Å; F124-I126 PolarHBondContact O-N 3.12Å; I126-H130 WeakPolarHBondContact O-CB 3.24Å; I126-H130 PolarHBondContact O-N 3.42Å |
| 127 | Y | 94 | Very high | 92 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -66.2 | -39.6 | 176.3 | -67.5 | -3.9 | 0 | 0 | 0 | 111.5 | L108 L123 F124 L131 L132 L145 L149 M166 | L108-Y127 HydrophobicContact CB-CE1 4.47Å; L108-Y127 PolarHBondContact O-OH 3.06Å; L123-Y127 HydrophobicContact CD1-CD1 4.22Å; L123-Y127 HydrophobicContact CD1-CE1 3.46Å; L123-Y127 VanDerWaalsContact CD1-CE1 3.46Å; L123-Y127 HydrophobicContact CG-CE1 3.95Å; L123-Y127 HydrophobicContact CG-CE2 4.17Å; L123-Y127 WeakPolarHBondContact O-CD1 3.23Å; L123-Y127 PolarHBondContact O-N 3.31Å; F124-Y127 HydrophobicContact CD1-CD2 4.39Å; F124-Y127 PolarHBondContact O-N 2.91Å; F124-Y127 VanDerWaalsContact O-N 3.13Å; Y127-L131 HydrophobicContact CD1-CD1 3.65Å; Y127-L131 HydrophobicContact CE1-CD1 4.16Å; Y127-L131 HydrophobicContact CG-CD1 4.37Å; Y127-L131 PolarHBondContact O-N 3.09Å; Y127-L132 PolarHBondContact O-N 2.84Å; Y127-L145 HydrophobicContact CD1-CD1 4.26Å; Y127-L145 HydrophobicContact CD2-CD1 4.2Å; Y127-L145 HydrophobicContact CE1-CD1 4.06Å; Y127-L145 HydrophobicContact CE2-CD1 3.99Å; Y127-L145 HydrophobicContact CG-CD1 4.33Å; Y127-L149 HydrophobicContact CD2-CD1 4.21Å; Y127-L149 HydrophobicContact CE2-CD1 4.28Å; Y127-M166 HydrophobicContact CD2-SD 3.82Å; Y127-M166 HydrophobicContact CG-SD 4.33Å |
| 128 | E | 93.4 | Very high | 92.3 | Very high | 59 Ų | 59 | 40.4 Ų | 40.4 | 28% | 0.276 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -72.7 | -44.4 | 178.2 | -72.5 | 170.9 | -159.7 | 0 | 0 | 112.7 | F124 D125 R162 M166 M169 | F124-E128 WeakPolarHBondContact O-CG 3.33Å; F124-E128 PolarHBondContact O-N 3.01Å; D125-E128 PolarHBondContact O-N 2.92Å; E128-R162 IonicContact OE1-CZ 3.79Å; E128-R162 IonicContact OE1-NE 2.77Å; E128-R162 PolarHBondContact OE1-NE 3.1Å; E128-R162 IonicContact OE1-NH2 3.44Å; E128-R162 PolarHBondContact OE1-NH2 3.39Å; E128-R162 VanDerWaalsContact OE1-NH2 3.12Å; E128-R162 IonicContact OE2-CZ 3.63Å; E128-R162 IonicContact OE2-NE 2.96Å; E128-R162 IonicContact OE2-NH2 3.76Å; E128-R162 PolarHBondContact OE2-NH2 3.49Å; E128-M166 HydrophobicContact CG-CE 3.51Å; E128-M166 WeakPolarHBondContact OE1-CE 3.34Å; E128-M169 HydrophobicContact CG-CE 4.38Å |
| 129 | E | 93.6 | Very high | 92.4 | Very high | 101 Ų | 101 | 38.6 Ų | 38.6 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -72.8 | -41.6 | -179.8 | -77.1 | -162.1 | -150.6 | 0 | 0 | 113.7 | R90 D125 P133 | R90-E129 IonicContact CZ-OE2 3.97Å; R90-E129 IonicContact NE-OE2 3.92Å; R90-E129 VanDerWaalsContact NH2-CD 3.32Å; R90-E129 IonicContact NH2-OE1 3.03Å; R90-E129 PolarHBondContact NH2-OE1 3.09Å; R90-E129 IonicContact NH2-OE2 3.58Å; R90-E129 PolarHBondContact NH2-OE2 3.37Å; D125-E129 WeakPolarHBondContact O-CB 3.43Å; D125-E129 PolarHBondContact O-N 2.91Å; E129-P133 WeakPolarHBondContact O-CG 3.32Å |
| 130 | H | 93.6 | Very high | 92.4 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.106 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -113.7 | -27.2 | -164.7 | -61.5 | -62.3 | 0 | 0 | 0 | 115.3 | D86 F89 R90 I126 L134 | D86-H130 IonicContact OD1-CD2 3.54Å; D86-H130 IonicContact OD1-CE1 3.46Å; D86-H130 IonicContact OD1-NE2 2.66Å; D86-H130 PolarHBondContact OD1-NE2 3.15Å; F89-H130 HydrophobicContact CB-CB 4.09Å; F89-H130 HydrophobicContact CD2-CB 3.59Å; F89-H130 AromaticContact CD2-CD2 3.95Å; F89-H130 AromaticContact CD2-CG 3.72Å; F89-H130 HydrophobicContact CE2-CB 4.36Å; F89-H130 HydrophobicContact CG-CB 4.2Å; R90-H130 VanDerWaalsContact CG-CE1 3.5Å; R90-H130 WeakPolarHBondContact CG-CE1 3.29Å; I126-H130 WeakPolarHBondContact O-CB 3.24Å; I126-H130 PolarHBondContact O-N 3.42Å; H130-L134 WeakPolarHBondContact O-CG 3.33Å |
| 131 | L | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -102.9 | -40 | -175.4 | -56.1 | -174.6 | 0 | 0 | 0 | 112.8 | V97 L101 F109 Y127 L134 L145 F170 | V97-L131 HydrophobicContact CG1-CD2 4.23Å; L101-L131 HydrophobicContact CD1-CD2 3.94Å; L101-L131 HydrophobicContact CD2-CD2 4.27Å; F109-L131 HydrophobicContact CE1-CD1 3.96Å; Y127-L131 HydrophobicContact CD1-CD1 3.65Å; Y127-L131 HydrophobicContact CE1-CD1 4.16Å; Y127-L131 HydrophobicContact CG-CD1 4.37Å; Y127-L131 PolarHBondContact O-N 3.09Å; L131-L134 HydrophobicContact CD2-CD1 4.13Å; L131-L134 WeakPolarHBondContact O-CB 3.32Å; L131-L134 WeakPolarHBondContact O-CG 3.41Å; L131-L134 PolarHBondContact O-N 2.85Å; L131-L145 HydrophobicContact CB-CD2 4.4Å; L131-L145 HydrophobicContact CD1-CD1 3.9Å; L131-L145 HydrophobicContact CD1-CD2 4.16Å; L131-F170 HydrophobicContact CB-CE1 4.45Å; L131-F170 HydrophobicContact CB-CZ 4.17Å |
| 132 | L | 93 | Very high | 92.5 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -60.2 | -38.3 | 178.7 | -178.1 | 63 | 0 | 0 | 0 | 114.1 | Y127 L134 M169 F170 S173 | Y127-L132 PolarHBondContact O-N 2.84Å; L132-L134 PolarHBondContact O-N 3.36Å; L132-M169 HydrophobicContact CD1-CB 3.84Å; L132-M169 HydrophobicContact CD2-CB 3.89Å; L132-M169 HydrophobicContact CD2-CE 3.99Å; L132-M169 HydrophobicContact CD2-CG 4.46Å; L132-M169 HydrophobicContact CD2-SD 3.85Å; L132-F170 HydrophobicContact CB-CE1 4.06Å; L132-F170 HydrophobicContact CB-CZ 3.99Å; L132-F170 HydrophobicContact CD1-CD1 3.83Å; L132-F170 HydrophobicContact CD1-CD2 4.47Å; L132-F170 HydrophobicContact CD1-CE1 3.96Å; L132-F170 HydrophobicContact CD1-CG 4.08Å; L132-F170 HydrophobicContact CD1-CZ 4.32Å; L132-S173 PolarHBondContact O-OG 2.75Å |
| 133 | P | 92.4 | Very high | 92.5 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 60% | 0.597 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -70.3 | -11.6 | 177.9 | -21.7 | 35.8 | 0 | 0 | 0 | 115 | E129 G135 | E129-P133 WeakPolarHBondContact O-CG 3.32Å; P133-G135 VanDerWaalsContact C-N 3.29Å; P133-G135 PolarHBondContact O-N 2.98Å |
| 134 | L | 91 | Very high | 92.4 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -71.9 | -24.7 | -179.4 | -55 | 179.6 | 0 | 0 | 0 | 112.6 | P94 V97 A98 H130 L131 L132 K136 L137 L138 | P94-L134 HydrophobicContact CB-CD2 3.66Å; P94-L134 VanDerWaalsContact O-CD2 3.26Å; P94-L134 WeakPolarHBondContact O-CD2 3.25Å; V97-L134 HydrophobicContact CG1-CD1 4.05Å; A98-L134 HydrophobicContact CB-CD1 4.28Å; A98-L134 HydrophobicContact CB-CD2 4.37Å; H130-L134 WeakPolarHBondContact O-CG 3.33Å; L131-L134 HydrophobicContact CD2-CD1 4.13Å; L131-L134 WeakPolarHBondContact O-CB 3.32Å; L131-L134 WeakPolarHBondContact O-CG 3.41Å; L131-L134 PolarHBondContact O-N 2.85Å; L132-L134 PolarHBondContact O-N 3.36Å; L134-K136 PolarHBondContact O-N 3.35Å; L134-L137 HydrophobicContact CB-CB 4.48Å; L134-L137 WeakPolarHBondContact O-CB 3.46Å; L134-L137 PolarHBondContact O-N 3.22Å; L134-L138 HydrophobicContact CB-CB 4.24Å; L134-L138 HydrophobicContact CD1-CD1 4.39Å |
| 135 | G | 91.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | 47.6 | -120.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P133 L137 L138 S173 | P133-G135 VanDerWaalsContact C-N 3.29Å; P133-G135 PolarHBondContact O-N 2.98Å; G135-L137 PolarHBondContact O-N 3.32Å; G135-L138 WeakPolarHBondContact O-CB 2.8Å; G135-L138 PolarHBondContact O-N 3.13Å; G135-L138 VanDerWaalsContact O-N 3.1Å; G135-S173 WeakPolarHBondContact CA-O 3.41Å; G135-S173 VanDerWaalsContact CA-OG 3.23Å; G135-S173 WeakPolarHBondContact CA-OG 3.44Å |
| 136 | K | 91.2 | Very high | 92.4 | Very high | 154 Ų | 154 | 41.3 Ų | 41.3 | 67% | 0.67 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -65.4 | -21.7 | -178.5 | -63.3 | 179.7 | -178 | 177.1 | 0 | 114.3 | L134 L138 H139 | L134-K136 PolarHBondContact O-N 3.35Å; K136-L138 PolarHBondContact O-N 3.25Å; K136-H139 WeakPolarHBondContact O-CB 3.2Å; K136-H139 PolarHBondContact O-CD2 3.21Å; K136-H139 VanDerWaalsContact O-CG 3.23Å; K136-H139 PolarHBondContact O-N 3.05Å |
| 137 | L | 90.7 | Very high | 92.3 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -66.4 | -20.3 | 174.5 | -58.8 | 177.6 | 0 | 0 | 0 | 112.3 | A98 L134 G135 H139 P140 | A98-L137 HydrophobicContact CB-CB 3.82Å; L134-L137 HydrophobicContact CB-CB 4.48Å; L134-L137 WeakPolarHBondContact O-CB 3.46Å; L134-L137 PolarHBondContact O-N 3.22Å; G135-L137 PolarHBondContact O-N 3.32Å; L137-H139 VanDerWaalsContact C-N 3.29Å; L137-H139 PolarHBondContact O-N 3.05Å; L137-P140 WeakPolarHBondContact O-CD 3.3Å |
| 138 | L | 91.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -73.8 | -17.3 | 178.3 | -170.8 | 53.7 | 0 | 0 | 0 | 113.2 | L101 L134 G135 K136 P140 S141 F142 L145 F170 V174 | L101-L138 HydrophobicContact CD2-CD1 3.38Å; L134-L138 HydrophobicContact CB-CB 4.24Å; L134-L138 HydrophobicContact CD1-CD1 4.39Å; G135-L138 WeakPolarHBondContact O-CB 2.8Å; G135-L138 PolarHBondContact O-N 3.13Å; G135-L138 VanDerWaalsContact O-N 3.1Å; K136-L138 PolarHBondContact O-N 3.25Å; L138-P140 VanDerWaalsContact C-CD 3.42Å; L138-P140 VanDerWaalsContact O-N 3.11Å; L138-S141 CarbonylContact O-C 3.31Å; L138-S141 PolarHBondContact O-N 2.69Å; L138-F142 HydrophobicContact CD2-CD2 3.78Å; L138-F142 HydrophobicContact CD2-CE2 4.43Å; L138-F142 HydrophobicContact CG-CB 4.19Å; L138-F142 HydrophobicContact CG-CD2 3.98Å; L138-F142 WeakPolarHBondContact O-CB 3.39Å; L138-F142 PolarHBondContact O-N 2.96Å; L138-L145 HydrophobicContact CD1-CD2 4.48Å; L138-L145 HydrophobicContact CD2-CD2 3.85Å; L138-F170 HydrophobicContact CD2-CD1 3.93Å; L138-F170 HydrophobicContact CD2-CE1 3.6Å; L138-V174 HydrophobicContact CD2-CG1 4.28Å |
| 139 | H | 92.5 | Very high | 92.1 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -44.3 | -46.1 | -173.2 | -77.6 | -166 | 0 | 0 | 0 | 114.7 | K136 L137 S141 F142 V174 F178 | K136-H139 WeakPolarHBondContact O-CB 3.2Å; K136-H139 PolarHBondContact O-CD2 3.21Å; K136-H139 VanDerWaalsContact O-CG 3.23Å; K136-H139 PolarHBondContact O-N 3.05Å; L137-H139 VanDerWaalsContact C-N 3.29Å; L137-H139 PolarHBondContact O-N 3.05Å; H139-S141 VanDerWaalsContact C-N 3.27Å; H139-S141 PolarHBondContact O-N 3.5Å; H139-F142 PolarHBondContact O-N 3.23Å; H139-V174 PolarHBondContact NE2-O 3.03Å; H139-F178 HydrophobicContact CB-CE1 4.08Å; H139-F178 HydrophobicContact CB-CE2 4.31Å; H139-F178 HydrophobicContact CB-CZ 3.72Å; H139-F178 AromaticContact CD2-CD1 3.54Å; H139-F178 AromaticContact CD2-CE1 3.36Å; H139-F178 WeakPolarHBondContact CD2-CE1 3.48Å; H139-F178 AromaticContact CD2-CZ 3.83Å; H139-F178 AromaticContact CE1-CD1 3.99Å; H139-F178 AromaticContact CE1-CD2 3.97Å; H139-F178 AromaticContact CE1-CG 3.81Å; H139-F178 AromaticContact CG-CE1 3.67Å; H139-F178 AromaticContact CG-CZ 3.62Å; H139-F178 AromaticContact ND1-CE2 3.96Å; H139-F178 AromaticContact NE2-CD1 3.46Å; H139-F178 WeakPolarHBondContact NE2-CD1 3.44Å; H139-F178 AromaticContact NE2-CE1 3.8Å; H139-F178 AromaticContact NE2-CG 3.72Å |
| 140 | P | 90.1 | Very high | 92 | Very high | 121 Ų | 121 | 38.4 Ų | 38.4 | 79% | 0.786 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -66.4 | -23.1 | -178.7 | -21.2 | 34.5 | 0 | 0 | 0 | 115 | L137 L138 | L137-P140 WeakPolarHBondContact O-CD 3.3Å; L138-P140 VanDerWaalsContact C-CD 3.42Å; L138-P140 VanDerWaalsContact O-N 3.11Å |
| 141 | S | 89.9 | Confident | 91.7 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -111.1 | -7.8 | -179.9 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | L138 H139 L143 G144 L145 | L138-S141 CarbonylContact O-C 3.31Å; L138-S141 PolarHBondContact O-N 2.69Å; H139-S141 VanDerWaalsContact C-N 3.27Å; H139-S141 PolarHBondContact O-N 3.5Å; S141-L143 VanDerWaalsContact C-N 3.31Å; S141-L143 PolarHBondContact O-N 3.45Å; S141-G144 PolarHBondContact O-N 3.11Å; S141-L145 PolarHBondContact O-N 3.42Å |
| 142 | F | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | -168.8 | -175.5 | -111.9 | 0 | 0 | 0 | 113.3 | L138 H139 G144 L145 L146 F170 V174 F178 F179 C182 | L138-F142 HydrophobicContact CD2-CD2 3.78Å; L138-F142 HydrophobicContact CD2-CE2 4.43Å; L138-F142 HydrophobicContact CG-CB 4.19Å; L138-F142 HydrophobicContact CG-CD2 3.98Å; L138-F142 WeakPolarHBondContact O-CB 3.39Å; L138-F142 PolarHBondContact O-N 2.96Å; H139-F142 PolarHBondContact O-N 3.23Å; F142-G144 PolarHBondContact O-N 3.22Å; F142-L145 PolarHBondContact O-N 3.36Å; F142-L146 HydrophobicContact CE1-CB 4.13Å; F142-L146 HydrophobicContact CE1-CD2 3.88Å; F142-L146 HydrophobicContact CE1-CG 4.43Å; F142-L146 HydrophobicContact CZ-CB 4.1Å; F142-L146 HydrophobicContact CZ-CD1 4.25Å; F142-L146 HydrophobicContact CZ-CD2 4.33Å; F142-L146 HydrophobicContact CZ-CG 4.46Å; F142-L146 WeakPolarHBondContact O-CB 3.31Å; F142-L146 PolarHBondContact O-N 2.98Å; F142-F170 HydrophobicContact CE2-CB 4.05Å; F142-F170 HydrophobicContact CE2-CD1 4.06Å; F142-F170 HydrophobicContact CE2-CG 4.17Å; F142-F170 HydrophobicContact CZ-CB 4.3Å; F142-V174 HydrophobicContact CD1-CG2 4.32Å; F142-V174 HydrophobicContact CD2-CG1 3.83Å; F142-V174 HydrophobicContact CE1-CG2 4.03Å; F142-V174 HydrophobicContact CE2-CG1 3.96Å; F142-V174 HydrophobicContact CE2-CG2 4.49Å; F142-V174 HydrophobicContact CG-CG1 4.21Å; F142-V174 HydrophobicContact CZ-CG1 4.44Å; F142-V174 HydrophobicContact CZ-CG2 4.15Å; F142-F178 HydrophobicContact CB-CE1 4.01Å; F142-F178 HydrophobicContact CD1-CD1 4.24Å; F142-F178 AromaticContact CD1-CE1 3.76Å; F142-F178 HydrophobicContact CD1-CE1 3.76Å; F142-F178 HydrophobicContact CG-CE1 4.16Å; F142-F179 HydrophobicContact CE1-CB 4.46Å; F142-F179 AromaticContact CE1-CD2 3.87Å; F142-F179 HydrophobicContact CE1-CD2 3.87Å; F142-F179 HydrophobicContact CE1-CG 4.43Å; F142-F179 AromaticContact CZ-CD2 3.52Å; F142-F179 HydrophobicContact CZ-CD2 3.52Å; F142-F179 AromaticContact CZ-CE2 3.97Å; F142-F179 HydrophobicContact CZ-CE2 3.97Å; F142-F179 HydrophobicContact CZ-CG 4.49Å; F142-C182 HydrophobicContact CD1-CB 4.04Å; F142-C182 HydrophobicContact CE1-CB 4.25Å |
| 143 | L | 92.1 | Very high | 91.3 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 22% | 0.22 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58 | -35.9 | 176.4 | -163.8 | 77.6 | 0 | 0 | 0 | 112.4 | S141 K147 C182 E185 L186 | S141-L143 VanDerWaalsContact C-N 3.31Å; S141-L143 PolarHBondContact O-N 3.45Å; L143-K147 WeakPolarHBondContact O-CB 3.41Å; L143-K147 PolarHBondContact O-N 3.02Å; L143-K147 VanDerWaalsContact O-N 3.16Å; L143-C182 HydrophobicContact CD1-CB 3.73Å; L143-C182 WeakPolarHBondContact CD1-O 3.28Å; L143-E185 HydrophobicContact CD1-CB 4.22Å; L143-E185 HydrophobicContact CD1-CG 4.26Å; L143-E185 WeakPolarHBondContact CD1-OE2 3.48Å; L143-L186 HydrophobicContact CD1-CD1 4.4Å; L143-L186 HydrophobicContact CD1-CD2 4Å; L143-L186 HydrophobicContact CD1-CG 3.69Å; L143-L186 HydrophobicContact CG-CD2 3.91Å; L143-L186 HydrophobicContact CG-CG 4.14Å |
| 144 | G | 91.1 | Very high | 90.9 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.2 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F109 S141 F142 K147 G148 | F109-G144 VanDerWaalsContact CD2-C 3.45Å; S141-G144 PolarHBondContact O-N 3.11Å; F142-G144 PolarHBondContact O-N 3.22Å; G144-K147 PolarHBondContact O-N 3Å; G144-G148 PolarHBondContact O-N 3.42Å; G144-G148 VanDerWaalsContact O-N 3.17Å |
| 145 | L | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.5 | 177.2 | 63.9 | 0 | 0 | 0 | 111.5 | F109 Y127 L131 L138 S141 F142 K147 G148 L149 F170 | F109-L145 HydrophobicContact CD1-CB 4.1Å; F109-L145 HydrophobicContact CD1-CD1 3.66Å; F109-L145 HydrophobicContact CD1-CG 4.49Å; F109-L145 HydrophobicContact CE1-CB 3.84Å; F109-L145 HydrophobicContact CE1-CD1 3.68Å; F109-L145 HydrophobicContact CE1-CG 4.29Å; F109-L145 HydrophobicContact CE2-CB 4.34Å; F109-L145 HydrophobicContact CG-CB 4.48Å; F109-L145 HydrophobicContact CZ-CB 3.96Å; Y127-L145 HydrophobicContact CD1-CD1 4.26Å; Y127-L145 HydrophobicContact CD2-CD1 4.2Å; Y127-L145 HydrophobicContact CE1-CD1 4.06Å; Y127-L145 HydrophobicContact CE2-CD1 3.99Å; Y127-L145 HydrophobicContact CG-CD1 4.33Å; L131-L145 HydrophobicContact CB-CD2 4.4Å; L131-L145 HydrophobicContact CD1-CD1 3.9Å; L131-L145 HydrophobicContact CD1-CD2 4.16Å; L138-L145 HydrophobicContact CD1-CD2 4.48Å; L138-L145 HydrophobicContact CD2-CD2 3.85Å; S141-L145 PolarHBondContact O-N 3.42Å; F142-L145 PolarHBondContact O-N 3.36Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 3.33Å; L145-G148 CarbonylContact O-C 3.58Å; L145-G148 WeakPolarHBondContact O-CA 3.5Å; L145-G148 PolarHBondContact O-N 3.38Å; L145-L149 WeakPolarHBondContact O-CB 3.43Å; L145-L149 PolarHBondContact O-N 3.36Å; L145-F170 HydrophobicContact CD2-CD1 4.35Å; L145-F170 HydrophobicContact CD2-CE1 3.71Å; L145-F170 HydrophobicContact CD2-CE2 4.11Å; L145-F170 HydrophobicContact CD2-CZ 3.6Å |
| 146 | L | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | -179.7 | -177.7 | 62.4 | 0 | 0 | 0 | 111.3 | F142 G148 L149 L150 L167 F179 C182 L183 L186 | F142-L146 HydrophobicContact CE1-CB 4.13Å; F142-L146 HydrophobicContact CE1-CD2 3.88Å; F142-L146 HydrophobicContact CE1-CG 4.43Å; F142-L146 HydrophobicContact CZ-CB 4.1Å; F142-L146 HydrophobicContact CZ-CD1 4.25Å; F142-L146 HydrophobicContact CZ-CD2 4.33Å; F142-L146 HydrophobicContact CZ-CG 4.46Å; F142-L146 WeakPolarHBondContact O-CB 3.31Å; F142-L146 PolarHBondContact O-N 2.98Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-G148 PolarHBondContact O-N 3Å; L146-L149 PolarHBondContact O-N 3.09Å; L146-L150 HydrophobicContact CD1-CD1 4.45Å; L146-L150 HydrophobicContact CD1-CG 4.24Å; L146-L150 HydrophobicContact CG-CD1 4.2Å; L146-L150 HydrophobicContact CG-CG 4.47Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.24Å; L146-L150 PolarHBondContact O-N 3.18Å; L146-L167 HydrophobicContact CD1-CD2 3.41Å; L146-L167 VanDerWaalsContact CD1-CD2 3.41Å; L146-F179 HydrophobicContact CD1-CE2 3.89Å; L146-F179 HydrophobicContact CD1-CZ 4.03Å; L146-C182 HydrophobicContact CD2-CB 3.96Å; L146-L183 HydrophobicContact CD2-CB 4.15Å; L146-L183 HydrophobicContact CD2-CD1 4.33Å; L146-L186 HydrophobicContact CB-CD1 3.87Å; L146-L186 HydrophobicContact CD2-CD1 3.78Å; L146-L186 HydrophobicContact CG-CD1 3.62Å |
| 147 | K | 92.2 | Very high | 89.1 | Confident | 96 Ų | 96 | 39.6 Ų | 39.6 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 171.4 | 178.2 | 174.2 | 177.4 | 174.3 | 0 | 112 | L143 G144 L145 P151 L186 C190 I193 | L143-K147 WeakPolarHBondContact O-CB 3.41Å; L143-K147 PolarHBondContact O-N 3.02Å; L143-K147 VanDerWaalsContact O-N 3.16Å; G144-K147 PolarHBondContact O-N 3Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 3.33Å; K147-P151 VanDerWaalsContact O-CD 3.27Å; K147-P151 WeakPolarHBondContact O-CD 3.34Å; K147-L186 HydrophobicContact CB-CD1 4.12Å; K147-L186 HydrophobicContact CB-CD2 3.88Å; K147-L186 HydrophobicContact CG-CD2 4.5Å; K147-C190 PolarHBondContact NZ-SG 3.2Å; K147-I193 HydrophobicContact CB-CD1 4.46Å; K147-I193 HydrophobicContact CG-CD1 4.2Å |
| 148 | G | 89.8 | Confident | 88.8 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.5 | -29.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | F109 L112 G144 L145 L146 | F109-G148 WeakPolarHBondContact O-CA 3.38Å; L112-G148 WeakPolarHBondContact CB-O 3.41Å; L112-G148 WeakPolarHBondContact CD2-O 3.46Å; G144-G148 PolarHBondContact O-N 3.42Å; G144-G148 VanDerWaalsContact O-N 3.17Å; L145-G148 CarbonylContact O-C 3.58Å; L145-G148 WeakPolarHBondContact O-CA 3.5Å; L145-G148 PolarHBondContact O-N 3.38Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-G148 PolarHBondContact O-N 3Å |
| 149 | L | 92.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -87.7 | -28.4 | -175.6 | -176 | 56.5 | 0 | 0 | 0 | 113.4 | L112 F124 Y127 L145 L146 G152 M166 L167 F170 | L112-L149 HydrophobicContact CD2-CD1 4.21Å; F124-L149 HydrophobicContact CD1-CD1 4.36Å; F124-L149 HydrophobicContact CE1-CD1 3.78Å; Y127-L149 HydrophobicContact CD2-CD1 4.21Å; Y127-L149 HydrophobicContact CE2-CD1 4.28Å; L145-L149 WeakPolarHBondContact O-CB 3.43Å; L145-L149 PolarHBondContact O-N 3.36Å; L146-L149 PolarHBondContact O-N 3.09Å; L149-G152 WeakPolarHBondContact O-CA 3.35Å; L149-G152 PolarHBondContact O-N 3.3Å; L149-M166 HydrophobicContact CD1-CG 4.39Å; L149-M166 HydrophobicContact CD1-SD 3.71Å; L149-M166 HydrophobicContact CD2-CG 3.95Å; L149-M166 HydrophobicContact CD2-SD 4.04Å; L149-L167 HydrophobicContact CB-CD2 4.38Å; L149-L167 HydrophobicContact CD2-CD2 3.54Å; L149-L167 HydrophobicContact CD2-CG 3.87Å; L149-L167 HydrophobicContact CG-CD2 3.8Å; L149-L167 HydrophobicContact CG-CG 3.98Å; L149-F170 HydrophobicContact CD2-CD2 3.65Å; L149-F170 HydrophobicContact CD2-CE2 3.9Å |
| 150 | L | 92.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -58.6 | -37.7 | -179.7 | -80.3 | 165.3 | 0 | 0 | 0 | 115.3 | L146 G152 L153 L167 L183 L186 I193 Y196 | L146-L150 HydrophobicContact CD1-CD1 4.45Å; L146-L150 HydrophobicContact CD1-CG 4.24Å; L146-L150 HydrophobicContact CG-CD1 4.2Å; L146-L150 HydrophobicContact CG-CG 4.47Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.24Å; L146-L150 PolarHBondContact O-N 3.18Å; L150-G152 PolarHBondContact O-N 2.86Å; L150-G152 VanDerWaalsContact O-N 3.11Å; L150-L153 HydrophobicContact CD2-CD1 3.94Å; L150-L153 WeakPolarHBondContact O-CB 3.42Å; L150-L153 PolarHBondContact O-N 3.45Å; L150-L167 HydrophobicContact CD2-CD1 4.31Å; L150-L183 HydrophobicContact CD1-CD1 3.69Å; L150-L183 HydrophobicContact CD2-CD1 3.94Å; L150-L183 HydrophobicContact CG-CD1 4.4Å; L150-L186 HydrophobicContact CD1-CD1 3.97Å; L150-I193 HydrophobicContact CB-CB 4.35Å; L150-I193 HydrophobicContact CB-CG2 4.31Å; L150-I193 HydrophobicContact CD1-CB 4.31Å; L150-I193 HydrophobicContact CD1-CD1 3.78Å; L150-Y196 WeakPolarHBondContact O-CB 3.32Å |
| 151 | P | 87.9 | Confident | 88.2 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 8% | 0.078 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -58 | -18.4 | 169.4 | -27.3 | 36.4 | 0 | 0 | 0 | 114.2 | E113 K147 L153 E154 I193 Y196 | E113-P151 HydrophobicContact CB-CB 3.84Å; E113-P151 HydrophobicContact CB-CG 4.07Å; E113-P151 HydrophobicContact CG-CB 4.23Å; E113-P151 HydrophobicContact CG-CG 4.48Å; K147-P151 VanDerWaalsContact O-CD 3.27Å; K147-P151 WeakPolarHBondContact O-CD 3.34Å; P151-L153 PolarHBondContact O-N 3.36Å; P151-L153 VanDerWaalsContact O-N 3.16Å; P151-E154 PolarHBondContact O-N 2.94Å; P151-I193 HydrophobicContact CG-CG2 4.31Å; P151-Y196 HydrophobicContact CB-CE2 4.46Å |
| 152 | G | 86.4 | Confident | 88.2 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -66.3 | -4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L149 L150 S160 | L149-G152 WeakPolarHBondContact O-CA 3.35Å; L149-G152 PolarHBondContact O-N 3.3Å; L150-G152 PolarHBondContact O-N 2.86Å; L150-G152 VanDerWaalsContact O-N 3.11Å; G152-S160 WeakPolarHBondContact O-CA 3.48Å |
| 153 | L | 90.1 | Very high | 88.1 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -97.2 | 11.6 | 173 | -64.2 | 177 | 0 | 0 | 0 | 113.7 | L150 P151 N164 L167 Y196 F200 | L150-L153 HydrophobicContact CD2-CD1 3.94Å; L150-L153 WeakPolarHBondContact O-CB 3.42Å; L150-L153 PolarHBondContact O-N 3.45Å; P151-L153 PolarHBondContact O-N 3.36Å; P151-L153 VanDerWaalsContact O-N 3.16Å; L153-N164 HydrophobicContact CD2-CB 3.73Å; L153-L167 HydrophobicContact CD1-CD1 3.62Å; L153-L167 HydrophobicContact CD2-CD1 3.9Å; L153-L167 HydrophobicContact CG-CD1 3.72Å; L153-Y196 HydrophobicContact CB-CD1 4.4Å; L153-F200 HydrophobicContact CD1-CB 3.82Å; L153-F200 HydrophobicContact CD1-CD2 3.7Å; L153-F200 HydrophobicContact CD1-CG 4.13Å; L153-F200 HydrophobicContact CD2-CD2 4.32Å |
| 154 | E | 84.9 | Confident | 88.1 | Confident | 90 Ų | 90 | 44.3 Ų | 44.3 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | trans | -52.7 | 120.6 | 179.5 | -176.8 | 177.8 | -154.9 | 0 | 0 | 111.5 | P151 G156 A157 Y196 | P151-E154 PolarHBondContact O-N 2.94Å; E154-G156 PolarHBondContact O-N 3.5Å; E154-G156 VanDerWaalsContact O-N 3.14Å; E154-A157 HydrophobicContact CB-CB 3.99Å; E154-A157 HydrophobicContact CG-CB 4.38Å; E154-A157 WeakPolarHBondContact O-CB 3.31Å; E154-A157 PolarHBondContact O-N 2.88Å; E154-Y196 HydrophobicContact CB-CE1 4.44Å | ||
| 155 | P | 76 | Confident | 88.2 | Confident | 104 Ų | 104 | 49.1 Ų | 49.1 | 68% | 0.675 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 114 | -170.3 | 26.6 | -34.1 | 0 | 0 | 0 | 111.1 | ||
| 156 | G | 78.4 | Confident | 88.1 | Confident | 79 Ų | 79 | 49.1 Ų | 49.1 | 81% | 0.814 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | -3.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E154 | E154-G156 PolarHBondContact O-N 3.5Å; E154-G156 VanDerWaalsContact O-N 3.14Å |
| 157 | A | 81.6 | Confident | 88.1 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | trans | -70.5 | 138.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E154 F159 S160 | E154-A157 HydrophobicContact CB-CB 3.99Å; E154-A157 HydrophobicContact CG-CB 4.38Å; E154-A157 WeakPolarHBondContact O-CB 3.31Å; E154-A157 PolarHBondContact O-N 2.88Å; A157-F159 PolarHBondContact O-N 3.41Å; A157-S160 VanDerWaalsContact O-CB 3.26Å; A157-S160 WeakPolarHBondContact O-CB 3.38Å; A157-S160 PolarHBondContact O-N 3.23Å; A157-S160 PolarHBondContact O-OG 2.97Å; A157-S160 VanDerWaalsContact O-OG 3.07Å | ||
| 158 | E | 83.4 | Confident | 88.2 | Confident | 156 Ų | 156 | 48.2 Ų | 48.2 | 73% | 0.729 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28.5 | -177.5 | -60.3 | 179.2 | 148.9 | 0 | 0 | 113.8 | ||
| 159 | F | 85.2 | Confident | 88.4 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2.4 | -179.8 | -58.4 | -83.5 | 0 | 0 | 0 | 114.1 | M117 K120 F124 A157 E161 R162 G163 | M117-F159 HydrophobicContact CB-CE2 4.22Å; M117-F159 HydrophobicContact SD-CD2 4.43Å; M117-F159 HydrophobicContact SD-CE2 4.15Å; K120-F159 HydrophobicContact CB-CD2 3.97Å; K120-F159 HydrophobicContact CB-CE2 3.86Å; K120-F159 HydrophobicContact CB-CG 4.38Å; K120-F159 HydrophobicContact CB-CZ 4.16Å; K120-F159 HydrophobicContact CD-CD2 3.99Å; K120-F159 HydrophobicContact CD-CE2 4.29Å; F124-F159 HydrophobicContact CD2-CB 4.47Å; F124-F159 HydrophobicContact CD2-CD1 4.16Å; F124-F159 HydrophobicContact CD2-CG 4.48Å; F124-F159 HydrophobicContact CE2-CB 3.56Å; F124-F159 HydrophobicContact CE2-CD1 4.01Å; F124-F159 AromaticContact CE2-CG 3.88Å; F124-F159 HydrophobicContact CE2-CG 3.88Å; F124-F159 HydrophobicContact CZ-CB 4.18Å; A157-F159 PolarHBondContact O-N 3.41Å; F159-E161 VanDerWaalsContact C-N 3.26Å; F159-E161 PolarHBondContact O-N 3.43Å; F159-R162 PolarHBondContact O-N 2.84Å; F159-G163 PolarHBondContact O-N 3.09Å |
| 160 | S | 86.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.3 | -36.2 | -172.8 | 68.2 | 0 | 0 | 0 | 0 | 112.9 | G152 A157 N164 | G152-S160 WeakPolarHBondContact O-CA 3.48Å; A157-S160 VanDerWaalsContact O-CB 3.26Å; A157-S160 WeakPolarHBondContact O-CB 3.38Å; A157-S160 PolarHBondContact O-N 3.23Å; A157-S160 PolarHBondContact O-OG 2.97Å; A157-S160 VanDerWaalsContact O-OG 3.07Å; S160-N164 WeakPolarHBondContact O-CB 3.38Å; S160-N164 PolarHBondContact O-N 3.01Å |
| 161 | E | 89.4 | Confident | 88.6 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 175.8 | -157.7 | -168.8 | 179.2 | 0 | 0 | 112.2 | F159 N164 R165 | F159-E161 VanDerWaalsContact C-N 3.26Å; F159-E161 PolarHBondContact O-N 3.43Å; E161-N164 PolarHBondContact O-N 2.87Å; E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 VanDerWaalsContact O-CG 3.27Å; E161-R165 WeakPolarHBondContact O-CG 3.37Å; E161-R165 PolarHBondContact O-N 3.37Å; E161-R165 IonicContact OE1-CZ 2.92Å; E161-R165 IonicContact OE1-NE 2.83Å; E161-R165 PolarHBondContact OE1-NE 2.95Å; E161-R165 IonicContact OE1-NH2 2.71Å; E161-R165 PolarHBondContact OE1-NH2 3.42Å; E161-R165 IonicContact OE2-CZ 3.26Å; E161-R165 IonicContact OE2-NH2 3.2Å; E161-R165 PolarHBondContact OE2-NH2 2.96Å |
| 162 | R | 91.1 | Very high | 88.9 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 23% | 0.226 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.7 | -168.6 | 177.8 | -173.2 | -178.4 | 3.2 | 110.7 | S121 D125 E128 F159 R165 M166 | S121-R162 PolarHBondContact OG-NH1 3.25Å; D125-R162 IonicContact OD1-CZ 2.68Å; D125-R162 IonicContact OD1-NH1 3.69Å; D125-R162 PolarHBondContact OD1-NH1 3.47Å; D125-R162 IonicContact OD1-NH2 3.34Å; D125-R162 PolarHBondContact OD1-NH2 2.86Å; E128-R162 IonicContact OE1-CZ 3.79Å; E128-R162 IonicContact OE1-NE 2.77Å; E128-R162 PolarHBondContact OE1-NE 3.1Å; E128-R162 IonicContact OE1-NH2 3.44Å; E128-R162 PolarHBondContact OE1-NH2 3.39Å; E128-R162 VanDerWaalsContact OE1-NH2 3.12Å; E128-R162 IonicContact OE2-CZ 3.63Å; E128-R162 IonicContact OE2-NE 2.96Å; E128-R162 IonicContact OE2-NH2 3.76Å; E128-R162 PolarHBondContact OE2-NH2 3.49Å; F159-R162 PolarHBondContact O-N 2.84Å; R162-R165 PolarHBondContact O-N 3.3Å; R162-M166 VanDerWaalsContact O-CB 3.24Å; R162-M166 WeakPolarHBondContact O-CB 3.26Å; R162-M166 PolarHBondContact O-N 2.94Å |
| 163 | G | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | F159 M166 L167 | F159-G163 PolarHBondContact O-N 3.09Å; G163-M166 PolarHBondContact O-N 3.12Å; G163-L167 WeakPolarHBondContact O-CG 3.28Å; G163-L167 PolarHBondContact O-N 3.03Å |
| 164 | N | 91.9 | Very high | 89.4 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.219 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -50.5 | 176.1 | 177 | 69.6 | 0 | 0 | 0 | 112.4 | L153 S160 E161 M166 L167 E168 F200 H204 | L153-N164 HydrophobicContact CD2-CB 3.73Å; S160-N164 WeakPolarHBondContact O-CB 3.38Å; S160-N164 PolarHBondContact O-N 3.01Å; E161-N164 PolarHBondContact O-N 2.87Å; N164-M166 PolarHBondContact O-N 3Å; N164-L167 PolarHBondContact O-N 2.97Å; N164-L167 VanDerWaalsContact O-N 3.09Å; N164-E168 PolarHBondContact ND2-OE1 3.35Å; N164-E168 PolarHBondContact O-N 3.22Å; N164-F200 WeakPolarHBondContact OD1-CE2 3.4Å; N164-H204 PolarHBondContact OD1-NE2 2.9Å |
| 165 | R | 92.6 | Very high | 89.7 | Confident | 134 Ų | 134 | 52.9 Ų | 52.9 | 51% | 0.506 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.1 | -37.8 | 175.3 | -68.6 | 173.1 | -171.2 | -178.6 | 5 | 111.6 | E161 R162 E168 M169 | E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 VanDerWaalsContact O-CG 3.27Å; E161-R165 WeakPolarHBondContact O-CG 3.37Å; E161-R165 PolarHBondContact O-N 3.37Å; E161-R165 IonicContact OE1-CZ 2.92Å; E161-R165 IonicContact OE1-NE 2.83Å; E161-R165 PolarHBondContact OE1-NE 2.95Å; E161-R165 IonicContact OE1-NH2 2.71Å; E161-R165 PolarHBondContact OE1-NH2 3.42Å; E161-R165 IonicContact OE2-CZ 3.26Å; E161-R165 IonicContact OE2-NH2 3.2Å; E161-R165 PolarHBondContact OE2-NH2 2.96Å; R162-R165 PolarHBondContact O-N 3.3Å; R165-E168 WeakPolarHBondContact O-CB 3.29Å; R165-E168 PolarHBondContact O-N 3.04Å; R165-M169 WeakPolarHBondContact O-CG 3.38Å; R165-M169 PolarHBondContact O-N 2.95Å |
| 166 | M | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | 176.9 | -172.3 | 174.4 | -59.5 | 0 | 0 | 112.6 | F124 Y127 E128 L149 R162 G163 N164 M169 F170 | F124-M166 HydrophobicContact CB-CE 3.73Å; F124-M166 HydrophobicContact CD1-CE 3.36Å; F124-M166 HydrophobicContact CD1-SD 3.77Å; F124-M166 HydrophobicContact CE1-CE 4.28Å; F124-M166 HydrophobicContact CE1-SD 4.36Å; F124-M166 HydrophobicContact CG-CE 3.92Å; Y127-M166 HydrophobicContact CD2-SD 3.82Å; Y127-M166 HydrophobicContact CG-SD 4.33Å; E128-M166 HydrophobicContact CG-CE 3.51Å; E128-M166 WeakPolarHBondContact OE1-CE 3.34Å; L149-M166 HydrophobicContact CD1-CG 4.39Å; L149-M166 HydrophobicContact CD1-SD 3.71Å; L149-M166 HydrophobicContact CD2-CG 3.95Å; L149-M166 HydrophobicContact CD2-SD 4.04Å; R162-M166 VanDerWaalsContact O-CB 3.24Å; R162-M166 WeakPolarHBondContact O-CB 3.26Å; R162-M166 PolarHBondContact O-N 2.94Å; G163-M166 PolarHBondContact O-N 3.12Å; N164-M166 PolarHBondContact O-N 3Å; M166-M169 HydrophobicContact CB-CE 4.43Å; M166-M169 PolarHBondContact O-N 3.03Å; M166-F170 HydrophobicContact CG-CD2 3.71Å; M166-F170 HydrophobicContact CG-CE2 3.58Å; M166-F170 VanDerWaalsContact O-CD2 3.26Å; M166-F170 WeakPolarHBondContact O-CD2 3.26Å; M166-F170 PolarHBondContact O-N 3.25Å; M166-F170 HydrophobicContact SD-CE2 3.93Å |
| 167 | L | 94 | Very high | 91 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 175 | -73.8 | 165.6 | 0 | 0 | 0 | 112.3 | L146 L149 L150 L153 G163 N164 F170 S171 F179 F200 | L146-L167 HydrophobicContact CD1-CD2 3.41Å; L146-L167 VanDerWaalsContact CD1-CD2 3.41Å; L149-L167 HydrophobicContact CB-CD2 4.38Å; L149-L167 HydrophobicContact CD2-CD2 3.54Å; L149-L167 HydrophobicContact CD2-CG 3.87Å; L149-L167 HydrophobicContact CG-CD2 3.8Å; L149-L167 HydrophobicContact CG-CG 3.98Å; L150-L167 HydrophobicContact CD2-CD1 4.31Å; L153-L167 HydrophobicContact CD1-CD1 3.62Å; L153-L167 HydrophobicContact CD2-CD1 3.9Å; L153-L167 HydrophobicContact CG-CD1 3.72Å; G163-L167 WeakPolarHBondContact O-CG 3.28Å; G163-L167 PolarHBondContact O-N 3.03Å; N164-L167 PolarHBondContact O-N 2.97Å; N164-L167 VanDerWaalsContact O-N 3.09Å; L167-F170 PolarHBondContact O-N 3.35Å; L167-S171 WeakPolarHBondContact O-CB 3.46Å; L167-S171 PolarHBondContact O-N 2.69Å; L167-F179 HydrophobicContact CB-CE2 4.42Å; L167-F179 HydrophobicContact CB-CZ 4.19Å; L167-F179 HydrophobicContact CD2-CE2 3.94Å; L167-F179 HydrophobicContact CD2-CZ 3.97Å; L167-F179 WeakPolarHBondContact O-CE2 3.46Å; L167-F200 HydrophobicContact CB-CD2 4.39Å; L167-F200 HydrophobicContact CB-CE2 3.5Å; L167-F200 VanDerWaalsContact CB-CE2 3.5Å; L167-F200 HydrophobicContact CB-CZ 3.72Å; L167-F200 HydrophobicContact CD1-CD2 4.08Å; L167-F200 HydrophobicContact CD1-CE2 4Å; L167-F200 HydrophobicContact CG-CE2 4.38Å |
| 168 | E | 93.6 | Very high | 91.6 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 36% | 0.36 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 169.9 | -67.1 | 167.6 | -153.3 | 0 | 0 | 111.9 | N164 R165 S171 S172 H204 | N164-E168 PolarHBondContact ND2-OE1 3.35Å; N164-E168 PolarHBondContact O-N 3.22Å; R165-E168 WeakPolarHBondContact O-CB 3.29Å; R165-E168 PolarHBondContact O-N 3.04Å; E168-S171 PolarHBondContact O-N 3.01Å; E168-S172 PolarHBondContact O-N 3.1Å; E168-S172 PolarHBondContact O-OG 3.12Å; E168-H204 IonicContact OE1-CE1 2.74Å; E168-H204 PolarHBondContact OE1-CE1 2.87Å; E168-H204 VanDerWaalsContact OE1-CE1 3.28Å; E168-H204 IonicContact OE1-NE2 3.25Å |
| 169 | M | 94.5 | Very high | 92.2 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 176.1 | -70.9 | -169.8 | -63.9 | 0 | 0 | 111.7 | E128 L132 R165 M166 S172 S173 | E128-M169 HydrophobicContact CG-CE 4.38Å; L132-M169 HydrophobicContact CD1-CB 3.84Å; L132-M169 HydrophobicContact CD2-CB 3.89Å; L132-M169 HydrophobicContact CD2-CE 3.99Å; L132-M169 HydrophobicContact CD2-CG 4.46Å; L132-M169 HydrophobicContact CD2-SD 3.85Å; R165-M169 WeakPolarHBondContact O-CG 3.38Å; R165-M169 PolarHBondContact O-N 2.95Å; M166-M169 HydrophobicContact CB-CE 4.43Å; M166-M169 PolarHBondContact O-N 3.03Å; M169-S172 WeakPolarHBondContact O-CB 3.37Å; M169-S172 PolarHBondContact O-N 3.3Å; M169-S173 WeakPolarHBondContact O-CB 3.41Å; M169-S173 PolarHBondContact O-N 3.2Å |
| 170 | F | 95 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 175 | -85.3 | -64.2 | 0 | 0 | 0 | 112.1 | L131 L132 L138 F142 L145 L149 M166 L167 S172 S173 V174 F179 | L131-F170 HydrophobicContact CB-CE1 4.45Å; L131-F170 HydrophobicContact CB-CZ 4.17Å; L132-F170 HydrophobicContact CB-CE1 4.06Å; L132-F170 HydrophobicContact CB-CZ 3.99Å; L132-F170 HydrophobicContact CD1-CD1 3.83Å; L132-F170 HydrophobicContact CD1-CD2 4.47Å; L132-F170 HydrophobicContact CD1-CE1 3.96Å; L132-F170 HydrophobicContact CD1-CG 4.08Å; L132-F170 HydrophobicContact CD1-CZ 4.32Å; L138-F170 HydrophobicContact CD2-CD1 3.93Å; L138-F170 HydrophobicContact CD2-CE1 3.6Å; F142-F170 HydrophobicContact CE2-CB 4.05Å; F142-F170 HydrophobicContact CE2-CD1 4.06Å; F142-F170 HydrophobicContact CE2-CG 4.17Å; F142-F170 HydrophobicContact CZ-CB 4.3Å; L145-F170 HydrophobicContact CD2-CD1 4.35Å; L145-F170 HydrophobicContact CD2-CE1 3.71Å; L145-F170 HydrophobicContact CD2-CE2 4.11Å; L145-F170 HydrophobicContact CD2-CZ 3.6Å; L149-F170 HydrophobicContact CD2-CD2 3.65Å; L149-F170 HydrophobicContact CD2-CE2 3.9Å; M166-F170 HydrophobicContact CG-CD2 3.71Å; M166-F170 HydrophobicContact CG-CE2 3.58Å; M166-F170 VanDerWaalsContact O-CD2 3.26Å; M166-F170 WeakPolarHBondContact O-CD2 3.26Å; M166-F170 PolarHBondContact O-N 3.25Å; M166-F170 HydrophobicContact SD-CE2 3.93Å; L167-F170 PolarHBondContact O-N 3.35Å; F170-S172 PolarHBondContact O-N 3.33Å; F170-S173 PolarHBondContact O-N 2.98Å; F170-S173 VanDerWaalsContact O-N 3.07Å; F170-V174 WeakPolarHBondContact O-CG2 3.43Å; F170-V174 PolarHBondContact O-N 2.84Å; F170-F179 HydrophobicContact CB-CE2 4.45Å |
| 171 | S | 94.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.3 | -41.4 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | L167 E168 G175 S176 F179 | L167-S171 WeakPolarHBondContact O-CB 3.46Å; L167-S171 PolarHBondContact O-N 2.69Å; E168-S171 PolarHBondContact O-N 3.01Å; S171-G175 CarbonylContact O-C 3.59Å; S171-G175 WeakPolarHBondContact O-CA 3.44Å; S171-G175 PolarHBondContact O-N 3.39Å; S171-G175 VanDerWaalsContact O-N 3.15Å; S171-S176 WeakPolarHBondContact O-CA 3.34Å; S171-S176 PolarHBondContact O-N 2.74Å; S171-S176 PolarHBondContact O-OG 2.73Å; S171-S176 WeakPolarHBondContact OG-CA 3.26Å; S171-S176 WeakPolarHBondContact OG-CB 3.43Å; S171-S176 PolarHBondContact OG-OG 3.44Å; S171-F179 VanDerWaalsContact CA-CD2 3.43Å |
| 172 | S | 93.5 | Very high | 93.2 | Very high | 94 Ų | 94 | 33.2 Ų | 33.2 | 66% | 0.657 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -68.8 | -39.9 | 176 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | E168 M169 F170 | E168-S172 PolarHBondContact O-N 3.1Å; E168-S172 PolarHBondContact O-OG 3.12Å; M169-S172 WeakPolarHBondContact O-CB 3.37Å; M169-S172 PolarHBondContact O-N 3.3Å; F170-S172 PolarHBondContact O-N 3.33Å |
| 173 | S | 93.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -77.5 | -42.2 | -174.2 | -167.3 | 0 | 0 | 0 | 0 | 113.9 | L132 G135 M169 F170 | L132-S173 PolarHBondContact O-OG 2.75Å; G135-S173 WeakPolarHBondContact CA-O 3.41Å; G135-S173 VanDerWaalsContact CA-OG 3.23Å; G135-S173 WeakPolarHBondContact CA-OG 3.44Å; M169-S173 WeakPolarHBondContact O-CB 3.41Å; M169-S173 PolarHBondContact O-N 3.2Å; F170-S173 PolarHBondContact O-N 2.98Å; F170-S173 VanDerWaalsContact O-N 3.07Å |
| 174 | V | 93.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -83.5 | -19.2 | 175.9 | -50 | 0 | 0 | 0 | 0 | 112.8 | L138 H139 F142 F170 F178 F179 | L138-V174 HydrophobicContact CD2-CG1 4.28Å; H139-V174 PolarHBondContact NE2-O 3.03Å; F142-V174 HydrophobicContact CD1-CG2 4.32Å; F142-V174 HydrophobicContact CD2-CG1 3.83Å; F142-V174 HydrophobicContact CE1-CG2 4.03Å; F142-V174 HydrophobicContact CE2-CG1 3.96Å; F142-V174 HydrophobicContact CE2-CG2 4.49Å; F142-V174 HydrophobicContact CG-CG1 4.21Å; F142-V174 HydrophobicContact CZ-CG1 4.44Å; F142-V174 HydrophobicContact CZ-CG2 4.15Å; F170-V174 WeakPolarHBondContact O-CG2 3.43Å; F170-V174 PolarHBondContact O-N 2.84Å; V174-F178 HydrophobicContact CB-CD1 4.12Å; V174-F178 HydrophobicContact CG2-CD1 3.84Å; V174-F179 HydrophobicContact CG2-CB 3.89Å |
| 175 | G | 92.4 | Very high | 93.7 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 27% | 0.268 | 17% | 0.17 | S | C | . | . | trans | 97.1 | 122.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S171 A177 F178 F179 | S171-G175 CarbonylContact O-C 3.59Å; S171-G175 WeakPolarHBondContact O-CA 3.44Å; S171-G175 PolarHBondContact O-N 3.39Å; S171-G175 VanDerWaalsContact O-N 3.15Å; G175-A177 PolarHBondContact O-N 3.24Å; G175-F178 WeakPolarHBondContact O-CB 3.16Å; G175-F178 PolarHBondContact O-N 3Å; G175-F179 PolarHBondContact O-N 3.01Å | ||
| 176 | S | 92 | Very high | 93.7 | Very high | 35 Ų | 35 | 24.2 Ų | 24.2 | 25% | 0.245 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58 | -40.4 | -163.7 | -49.5 | 0 | 0 | 0 | 0 | 114.6 | S171 F178 F179 Y180 | S171-S176 WeakPolarHBondContact O-CA 3.34Å; S171-S176 PolarHBondContact O-N 2.74Å; S171-S176 PolarHBondContact O-OG 2.73Å; S171-S176 WeakPolarHBondContact OG-CA 3.26Å; S171-S176 WeakPolarHBondContact OG-CB 3.43Å; S171-S176 PolarHBondContact OG-OG 3.44Å; S176-F178 VanDerWaalsContact C-N 3.31Å; S176-F178 PolarHBondContact O-N 3.14Å; S176-F179 WeakPolarHBondContact O-CB 3.33Å; S176-F179 PolarHBondContact O-N 3.47Å; S176-Y180 VanDerWaalsContact O-CD2 3.29Å; S176-Y180 WeakPolarHBondContact O-CD2 3.47Å; S176-Y180 PolarHBondContact O-N 3.03Å |
| 177 | A | 90.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 24.2 Ų | 24.2 | 25% | 0.248 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G175 T181 G219 L220 | G175-A177 PolarHBondContact O-N 3.24Å; A177-T181 PolarHBondContact O-N 3.24Å; A177-T181 VanDerWaalsContact O-N 3.08Å; A177-T181 PolarHBondContact O-OG1 3.43Å; A177-G219 WeakPolarHBondContact O-CA 3.43Å; A177-L220 HydrophobicContact CB-CD2 3.73Å; A177-L220 HydrophobicContact CB-CG 4.06Å |
| 178 | F | 93.5 | Very high | 93.8 | Very high | 45 Ų | 45 | 26.3 Ų | 26.3 | 20% | 0.197 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.5 | -44 | 172.9 | 179.3 | -95.2 | 0 | 0 | 0 | 111 | H139 F142 V174 G175 S176 Y180 T181 C182 L220 | H139-F178 HydrophobicContact CB-CE1 4.08Å; H139-F178 HydrophobicContact CB-CE2 4.31Å; H139-F178 HydrophobicContact CB-CZ 3.72Å; H139-F178 AromaticContact CD2-CD1 3.54Å; H139-F178 AromaticContact CD2-CE1 3.36Å; H139-F178 WeakPolarHBondContact CD2-CE1 3.48Å; H139-F178 AromaticContact CD2-CZ 3.83Å; H139-F178 AromaticContact CE1-CD1 3.99Å; H139-F178 AromaticContact CE1-CD2 3.97Å; H139-F178 AromaticContact CE1-CG 3.81Å; H139-F178 AromaticContact CG-CE1 3.67Å; H139-F178 AromaticContact CG-CZ 3.62Å; H139-F178 AromaticContact ND1-CE2 3.96Å; H139-F178 AromaticContact NE2-CD1 3.46Å; H139-F178 WeakPolarHBondContact NE2-CD1 3.44Å; H139-F178 AromaticContact NE2-CE1 3.8Å; H139-F178 AromaticContact NE2-CG 3.72Å; F142-F178 HydrophobicContact CB-CE1 4.01Å; F142-F178 HydrophobicContact CD1-CD1 4.24Å; F142-F178 AromaticContact CD1-CE1 3.76Å; F142-F178 HydrophobicContact CD1-CE1 3.76Å; F142-F178 HydrophobicContact CG-CE1 4.16Å; V174-F178 HydrophobicContact CB-CD1 4.12Å; V174-F178 HydrophobicContact CG2-CD1 3.84Å; G175-F178 WeakPolarHBondContact O-CB 3.16Å; G175-F178 PolarHBondContact O-N 3Å; S176-F178 VanDerWaalsContact C-N 3.31Å; S176-F178 PolarHBondContact O-N 3.14Å; F178-Y180 PolarHBondContact O-N 3.37Å; F178-T181 WeakPolarHBondContact O-CB 3.33Å; F178-T181 PolarHBondContact O-N 3.41Å; F178-T181 VanDerWaalsContact O-N 3.15Å; F178-C182 PolarHBondContact O-N 3.49Å; F178-L220 HydrophobicContact CB-CD1 4.28Å; F178-L220 HydrophobicContact CD2-CD1 4.47Å |
| 179 | F | 95.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.4 | -52.6 | 175.3 | 175.9 | -80.5 | 0 | 0 | 0 | 112.2 | F142 L146 L167 F170 S171 V174 G175 S176 T181 C182 L183 F200 | F142-F179 HydrophobicContact CE1-CB 4.46Å; F142-F179 AromaticContact CE1-CD2 3.87Å; F142-F179 HydrophobicContact CE1-CD2 3.87Å; F142-F179 HydrophobicContact CE1-CG 4.43Å; F142-F179 AromaticContact CZ-CD2 3.52Å; F142-F179 HydrophobicContact CZ-CD2 3.52Å; F142-F179 AromaticContact CZ-CE2 3.97Å; F142-F179 HydrophobicContact CZ-CE2 3.97Å; F142-F179 HydrophobicContact CZ-CG 4.49Å; L146-F179 HydrophobicContact CD1-CE2 3.89Å; L146-F179 HydrophobicContact CD1-CZ 4.03Å; L167-F179 HydrophobicContact CB-CE2 4.42Å; L167-F179 HydrophobicContact CB-CZ 4.19Å; L167-F179 HydrophobicContact CD2-CE2 3.94Å; L167-F179 HydrophobicContact CD2-CZ 3.97Å; L167-F179 WeakPolarHBondContact O-CE2 3.46Å; F170-F179 HydrophobicContact CB-CE2 4.45Å; S171-F179 VanDerWaalsContact CA-CD2 3.43Å; V174-F179 HydrophobicContact CG2-CB 3.89Å; G175-F179 PolarHBondContact O-N 3.01Å; S176-F179 WeakPolarHBondContact O-CB 3.33Å; S176-F179 PolarHBondContact O-N 3.47Å; F179-T181 VanDerWaalsContact C-N 3.32Å; F179-T181 PolarHBondContact O-N 2.93Å; F179-C182 PolarHBondContact O-N 2.93Å; F179-L183 HydrophobicContact CE1-CD2 4.04Å; F179-L183 PolarHBondContact O-N 3.42Å; F179-F200 HydrophobicContact CE1-CD1 4.22Å; F179-F200 AromaticContact CE1-CE1 3.53Å; F179-F200 HydrophobicContact CE1-CE1 3.53Å; F179-F200 HydrophobicContact CE1-CZ 4.19Å; F179-F200 AromaticContact CZ-CE1 3.76Å; F179-F200 HydrophobicContact CZ-CE1 3.76Å; F179-F200 AromaticContact CZ-CZ 3.99Å; F179-F200 HydrophobicContact CZ-CZ 3.99Å |
| 180 | Y | 93.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -31.5 | 179.5 | -79.8 | -80.2 | 0 | 0 | 0 | 112.2 | S176 F178 L183 W184 I201 H204 Y216 I217 | S176-Y180 VanDerWaalsContact O-CD2 3.29Å; S176-Y180 WeakPolarHBondContact O-CD2 3.47Å; S176-Y180 PolarHBondContact O-N 3.03Å; F178-Y180 PolarHBondContact O-N 3.37Å; Y180-L183 HydrophobicContact CD1-CD2 4.24Å; Y180-L183 HydrophobicContact CE1-CD2 4.36Å; Y180-L183 PolarHBondContact O-N 3.06Å; Y180-W184 PolarHBondContact O-N 3.34Å; Y180-I201 HydrophobicContact CD1-CG1 4.06Å; Y180-I201 HydrophobicContact CE1-CG1 3.84Å; Y180-H204 WeakPolarHBondContact OH-CB 3.48Å; Y180-Y216 WeakPolarHBondContact CB-O 3.22Å; Y180-Y216 AromaticContact CD2-CD2 3.9Å; Y180-Y216 HydrophobicContact CD2-CD2 3.9Å; Y180-Y216 AromaticContact CE2-CD2 3.73Å; Y180-Y216 HydrophobicContact CE2-CD2 3.73Å; Y180-Y216 AromaticContact CE2-CE2 3.94Å; Y180-Y216 HydrophobicContact CE2-CE2 3.94Å; Y180-I217 HydrophobicContact CD1-CG2 4.24Å; Y180-I217 HydrophobicContact CE1-CB 4.49Å; Y180-I217 HydrophobicContact CE1-CG1 4.31Å; Y180-I217 HydrophobicContact CE1-CG2 4.14Å; Y180-I217 HydrophobicContact CE2-CG1 4.15Å |
| 181 | T | 93.1 | Very high | 93 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 10% | 0.104 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -51.6 | 172.1 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | A177 F178 F179 L183 W184 E185 G219 L220 I224 | A177-T181 PolarHBondContact O-N 3.24Å; A177-T181 VanDerWaalsContact O-N 3.08Å; A177-T181 PolarHBondContact O-OG1 3.43Å; F178-T181 WeakPolarHBondContact O-CB 3.33Å; F178-T181 PolarHBondContact O-N 3.41Å; F178-T181 VanDerWaalsContact O-N 3.15Å; F179-T181 VanDerWaalsContact C-N 3.32Å; F179-T181 PolarHBondContact O-N 2.93Å; T181-L183 PolarHBondContact O-N 3.05Å; T181-W184 PolarHBondContact O-N 3.43Å; T181-E185 VanDerWaalsContact O-CB 3.29Å; T181-E185 WeakPolarHBondContact O-CB 3.35Å; T181-E185 PolarHBondContact O-N 3.4Å; T181-G219 WeakPolarHBondContact OG1-CA 3.28Å; T181-L220 HydrophobicContact CG2-CB 4.39Å; T181-L220 WeakPolarHBondContact OG1-CB 3.22Å; T181-L220 WeakPolarHBondContact OG1-CG 3.46Å; T181-L220 PolarHBondContact OG1-N 2.83Å; T181-I224 HydrophobicContact CG2-CD1 3.97Å |
| 182 | C | 94.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.8 | -32.6 | 176.3 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | F142 L143 L146 F178 F179 L186 | F142-C182 HydrophobicContact CD1-CB 4.04Å; F142-C182 HydrophobicContact CE1-CB 4.25Å; L143-C182 HydrophobicContact CD1-CB 3.73Å; L143-C182 WeakPolarHBondContact CD1-O 3.28Å; L146-C182 HydrophobicContact CD2-CB 3.96Å; F178-C182 PolarHBondContact O-N 3.49Å; F179-C182 PolarHBondContact O-N 2.93Å; C182-L186 WeakPolarHBondContact O-CB 3.16Å; C182-L186 WeakPolarHBondContact O-CG 3.43Å; C182-L186 PolarHBondContact O-N 2.95Å |
| 183 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.1 | -52.6 | 175.4 | -171.1 | 54.8 | 0 | 0 | 0 | 111.4 | L146 L150 F179 Y180 T181 E185 L186 L187 F200 I201 | L146-L183 HydrophobicContact CD2-CB 4.15Å; L146-L183 HydrophobicContact CD2-CD1 4.33Å; L150-L183 HydrophobicContact CD1-CD1 3.69Å; L150-L183 HydrophobicContact CD2-CD1 3.94Å; L150-L183 HydrophobicContact CG-CD1 4.4Å; F179-L183 HydrophobicContact CE1-CD2 4.04Å; F179-L183 PolarHBondContact O-N 3.42Å; Y180-L183 HydrophobicContact CD1-CD2 4.24Å; Y180-L183 HydrophobicContact CE1-CD2 4.36Å; Y180-L183 PolarHBondContact O-N 3.06Å; T181-L183 PolarHBondContact O-N 3.05Å; L183-E185 VanDerWaalsContact C-N 3.3Å; L183-E185 PolarHBondContact O-N 2.86Å; L183-L186 WeakPolarHBondContact O-CB 3.17Å; L183-L186 PolarHBondContact O-N 3.4Å; L183-L186 VanDerWaalsContact O-N 3.14Å; L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 2.96Å; L183-F200 HydrophobicContact CD2-CD1 3.96Å; L183-I201 HydrophobicContact CD2-CD1 3.84Å; L183-I201 HydrophobicContact CD2-CG1 3.64Å; L183-I201 HydrophobicContact CG-CD1 4.09Å; L183-I201 HydrophobicContact CG-CG1 4.43Å |
| 184 | W | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 175.4 | -65.8 | 117.1 | 0 | 0 | 0 | 112.1 | Y180 T181 L186 L187 I188 I198 I201 I217 I224 L225 S228 L229 L232 F247 | Y180-W184 PolarHBondContact O-N 3.34Å; T181-W184 PolarHBondContact O-N 3.43Å; W184-L186 VanDerWaalsContact C-N 3.33Å; W184-L186 PolarHBondContact O-N 3.4Å; W184-L187 HydrophobicContact CD2-CD1 4.48Å; W184-L187 HydrophobicContact CE3-CD1 3.68Å; W184-L187 HydrophobicContact CZ3-CD1 4.02Å; W184-L187 WeakPolarHBondContact O-CB 3.29Å; W184-L187 PolarHBondContact O-N 2.87Å; W184-L187 VanDerWaalsContact O-N 3.16Å; W184-I188 PolarHBondContact O-N 2.65Å; W184-I188 VanDerWaalsContact O-N 3.16Å; W184-I198 HydrophobicContact CH2-CD1 4.09Å; W184-I198 HydrophobicContact CZ3-CD1 4.06Å; W184-I201 HydrophobicContact CD2-CD1 4.1Å; W184-I201 HydrophobicContact CE3-CD1 4.08Å; W184-I201 HydrophobicContact CH2-CD1 3.76Å; W184-I201 HydrophobicContact CH2-CG2 4.1Å; W184-I201 HydrophobicContact CZ2-CD1 3.74Å; W184-I201 HydrophobicContact CZ2-CG1 4.42Å; W184-I201 HydrophobicContact CZ2-CG2 3.94Å; W184-I201 HydrophobicContact CZ3-CD1 3.92Å; W184-I217 PolarHBondContact NE1-O 3Å; W184-I224 HydrophobicContact CB-CG2 3.75Å; W184-L225 HydrophobicContact CD2-CD1 3.84Å; W184-L225 VanDerWaalsContact CE2-CD1 3.44Å; W184-L225 HydrophobicContact CE3-CD1 4.25Å; W184-L225 HydrophobicContact CG-CD1 4.38Å; W184-L225 HydrophobicContact CH2-CD1 3.98Å; W184-L225 HydrophobicContact CZ2-CD1 3.53Å; W184-L225 HydrophobicContact CZ3-CD1 4.31Å; W184-S228 VanDerWaalsContact O-CB 3.31Å; W184-S228 WeakPolarHBondContact O-CB 3.42Å; W184-L229 HydrophobicContact CH2-CD2 4.12Å; W184-L229 HydrophobicContact CZ3-CD2 3.9Å; W184-L229 HydrophobicContact CZ3-CG 4.17Å; W184-L232 HydrophobicContact CZ3-CD1 4Å; W184-F247 AromaticContact CH2-CD1 3.98Å; W184-F247 HydrophobicContact CH2-CD1 3.98Å; W184-F247 HydrophobicContact CH2-CD2 4.31Å; W184-F247 AromaticContact CH2-CE1 3.72Å; W184-F247 HydrophobicContact CH2-CE1 3.72Å; W184-F247 HydrophobicContact CH2-CE2 4.06Å; W184-F247 HydrophobicContact CH2-CG 4.27Å; W184-F247 AromaticContact CH2-CZ 3.76Å; W184-F247 HydrophobicContact CH2-CZ 3.76Å; W184-F247 AromaticContact CZ2-CE1 3.96Å; W184-F247 HydrophobicContact CZ2-CE1 3.96Å; W184-F247 AromaticContact CZ2-CE2 3.95Å; W184-F247 HydrophobicContact CZ2-CE2 3.95Å; W184-F247 AromaticContact CZ2-CZ 3.58Å; W184-F247 HydrophobicContact CZ2-CZ 3.58Å |
| 185 | E | 94.5 | Very high | 92.4 | Very high | 40 Ų | 40 | 29.7 Ų | 29.7 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 175.1 | -172.1 | -178.6 | -165.6 | 0 | 0 | 112.6 | L143 T181 L183 I188 R189 I224 | L143-E185 HydrophobicContact CD1-CB 4.22Å; L143-E185 HydrophobicContact CD1-CG 4.26Å; L143-E185 WeakPolarHBondContact CD1-OE2 3.48Å; T181-E185 VanDerWaalsContact O-CB 3.29Å; T181-E185 WeakPolarHBondContact O-CB 3.35Å; T181-E185 PolarHBondContact O-N 3.4Å; L183-E185 VanDerWaalsContact C-N 3.3Å; L183-E185 PolarHBondContact O-N 2.86Å; E185-I188 PolarHBondContact O-N 3.16Å; E185-R189 VanDerWaalsContact CD-NH1 3.27Å; E185-R189 PolarHBondContact O-N 3.05Å; E185-R189 IonicContact OE1-CZ 3.75Å; E185-R189 IonicContact OE1-NH1 3.73Å; E185-R189 PolarHBondContact OE1-NH1 3.33Å; E185-R189 IonicContact OE1-NH2 2.76Å; E185-R189 PolarHBondContact OE1-NH2 3.29Å; E185-I224 HydrophobicContact CB-CG2 4Å |
| 186 | L | 94.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.7 | -38.2 | 172 | -80.6 | 179 | 0 | 0 | 0 | 112.9 | L143 L146 K147 L150 C182 L183 W184 I188 R189 C190 I193 | L143-L186 HydrophobicContact CD1-CD1 4.4Å; L143-L186 HydrophobicContact CD1-CD2 4Å; L143-L186 HydrophobicContact CD1-CG 3.69Å; L143-L186 HydrophobicContact CG-CD2 3.91Å; L143-L186 HydrophobicContact CG-CG 4.14Å; L146-L186 HydrophobicContact CB-CD1 3.87Å; L146-L186 HydrophobicContact CD2-CD1 3.78Å; L146-L186 HydrophobicContact CG-CD1 3.62Å; K147-L186 HydrophobicContact CB-CD1 4.12Å; K147-L186 HydrophobicContact CB-CD2 3.88Å; K147-L186 HydrophobicContact CG-CD2 4.5Å; L150-L186 HydrophobicContact CD1-CD1 3.97Å; C182-L186 WeakPolarHBondContact O-CB 3.16Å; C182-L186 WeakPolarHBondContact O-CG 3.43Å; C182-L186 PolarHBondContact O-N 2.95Å; L183-L186 WeakPolarHBondContact O-CB 3.17Å; L183-L186 PolarHBondContact O-N 3.4Å; L183-L186 VanDerWaalsContact O-N 3.14Å; W184-L186 VanDerWaalsContact C-N 3.33Å; W184-L186 PolarHBondContact O-N 3.4Å; L186-I188 PolarHBondContact O-N 2.82Å; L186-R189 PolarHBondContact O-N 2.9Å; L186-R189 VanDerWaalsContact O-N 3.13Å; L186-C190 PolarHBondContact O-N 3Å; L186-I193 HydrophobicContact CB-CD1 3.74Å; L186-I193 HydrophobicContact CD1-CD1 3.96Å; L186-I193 HydrophobicContact CD2-CD1 4.07Å; L186-I193 HydrophobicContact CG-CD1 4.13Å |
| 187 | L | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.9 | -30.2 | 176.5 | -63.8 | 178.5 | 0 | 0 | 0 | 112 | L183 W184 R194 I201 L232 | L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 2.96Å; W184-L187 HydrophobicContact CD2-CD1 4.48Å; W184-L187 HydrophobicContact CE3-CD1 3.68Å; W184-L187 HydrophobicContact CZ3-CD1 4.02Å; W184-L187 WeakPolarHBondContact O-CB 3.29Å; W184-L187 PolarHBondContact O-N 2.87Å; W184-L187 VanDerWaalsContact O-N 3.16Å; L187-R194 HydrophobicContact CD2-CB 4.2Å; L187-R194 HydrophobicContact CD2-CG 4.08Å; L187-R194 PolarHBondContact O-NE 2.79Å; L187-R194 PolarHBondContact O-NH2 3.44Å; L187-I201 HydrophobicContact CD1-CD1 3.77Å; L187-L232 HydrophobicContact CB-CD2 4.41Å; L187-L232 HydrophobicContact CD1-CD1 4.11Å; L187-L232 HydrophobicContact CD2-CD2 4.34Å |
| 188 | I | 92.6 | Very high | 92.7 | Very high | 45 Ų | 45 | 27.5 Ų | 27.5 | 23% | 0.231 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -59.5 | 167.4 | -58.5 | 166.2 | 0 | 0 | 0 | 109.7 | W184 E185 L186 R194 I224 E227 | W184-I188 PolarHBondContact O-N 2.65Å; W184-I188 VanDerWaalsContact O-N 3.16Å; E185-I188 PolarHBondContact O-N 3.16Å; L186-I188 PolarHBondContact O-N 2.82Å; I188-R194 PolarHBondContact O-NH2 3.37Å; I188-I224 HydrophobicContact CD1-CG2 3.98Å; I188-E227 HydrophobicContact CD1-CB 3.86Å; I188-E227 HydrophobicContact CD1-CG 3.95Å; I188-E227 HydrophobicContact CG1-CB 4.35Å; I188-E227 HydrophobicContact CG1-CG 4.28Å |
| 189 | R | 90.5 | Very high | 92.7 | Very high | 152 Ų | 152 | 27.2 Ų | 27.2 | 57% | 0.574 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -77.4 | -27.8 | -162.5 | -68.9 | -176.2 | -178.3 | 137.5 | 16.2 | 116.2 | E185 L186 | E185-R189 VanDerWaalsContact CD-NH1 3.27Å; E185-R189 PolarHBondContact O-N 3.05Å; E185-R189 IonicContact OE1-CZ 3.75Å; E185-R189 IonicContact OE1-NH1 3.73Å; E185-R189 PolarHBondContact OE1-NH1 3.33Å; E185-R189 IonicContact OE1-NH2 2.76Å; E185-R189 PolarHBondContact OE1-NH2 3.29Å; L186-R189 PolarHBondContact O-N 2.9Å; L186-R189 VanDerWaalsContact O-N 3.13Å |
| 190 | C | 89.4 | Confident | 92.6 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 12% | 0.122 | 14% | 0.142 | C | C | . | . | trans | -131.6 | 98.5 | -168.2 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | K147 L186 S192 I193 | K147-C190 PolarHBondContact NZ-SG 3.2Å; L186-C190 PolarHBondContact O-N 3Å; C190-S192 VanDerWaalsContact C-N 3.34Å; C190-S192 PolarHBondContact O-N 3Å; C190-I193 HydrophobicContact CB-CD1 3.82Å; C190-I193 HydrophobicContact CB-CG1 3.68Å; C190-I193 VanDerWaalsContact O-CG1 3.26Å; C190-I193 WeakPolarHBondContact O-CG1 3.11Å; C190-I193 PolarHBondContact O-N 3.27Å | ||
| 191 | P | 87.6 | Confident | 92.6 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 34% | 0.344 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -57.6 | -39.4 | -179 | -27.4 | 35.6 | 0 | 0 | 0 | 114.9 | I193 R194 Y388 | P191-I193 PolarHBondContact O-N 3.47Å; P191-I193 VanDerWaalsContact O-N 3.12Å; P191-R194 WeakPolarHBondContact O-CB 3.47Å; P191-R194 PolarHBondContact O-N 3.05Å; P191-Y388 HydrophobicContact CG-CG 4.45Å |
| 192 | S | 87.7 | Confident | 92.5 | Very high | 81 Ų | 81 | 27.8 Ų | 27.8 | 57% | 0.566 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -60.5 | -25.3 | -174.7 | 57.7 | 0 | 0 | 0 | 0 | 115 | C190 | C190-S192 VanDerWaalsContact C-N 3.34Å; C190-S192 PolarHBondContact O-N 3Å |
| 193 | I | 90.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -99.7 | 1.9 | 179.4 | 56.8 | 167.9 | 0 | 0 | 0 | 113.5 | K147 L150 P151 L186 C190 P191 Q195 Y196 G197 | K147-I193 HydrophobicContact CB-CD1 4.46Å; K147-I193 HydrophobicContact CG-CD1 4.2Å; L150-I193 HydrophobicContact CB-CB 4.35Å; L150-I193 HydrophobicContact CB-CG2 4.31Å; L150-I193 HydrophobicContact CD1-CB 4.31Å; L150-I193 HydrophobicContact CD1-CD1 3.78Å; P151-I193 HydrophobicContact CG-CG2 4.31Å; L186-I193 HydrophobicContact CB-CD1 3.74Å; L186-I193 HydrophobicContact CD1-CD1 3.96Å; L186-I193 HydrophobicContact CD2-CD1 4.07Å; L186-I193 HydrophobicContact CG-CD1 4.13Å; C190-I193 HydrophobicContact CB-CD1 3.82Å; C190-I193 HydrophobicContact CB-CG1 3.68Å; C190-I193 VanDerWaalsContact O-CG1 3.26Å; C190-I193 WeakPolarHBondContact O-CG1 3.11Å; C190-I193 PolarHBondContact O-N 3.27Å; P191-I193 PolarHBondContact O-N 3.47Å; P191-I193 VanDerWaalsContact O-N 3.12Å; I193-Q195 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 3.36Å; I193-Y196 HydrophobicContact CB-CD2 4.38Å; I193-Y196 HydrophobicContact CG2-CD2 4.34Å; I193-Y196 PolarHBondContact O-N 2.85Å; I193-G197 PolarHBondContact O-N 3.23Å |
| 194 | R | 92.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | -173.5 | -78.1 | 174.7 | 179.9 | 162 | 1.8 | 113 | L187 I188 P191 G197 I198 L232 D235 V240 | L187-R194 HydrophobicContact CD2-CB 4.2Å; L187-R194 HydrophobicContact CD2-CG 4.08Å; L187-R194 PolarHBondContact O-NE 2.79Å; L187-R194 PolarHBondContact O-NH2 3.44Å; I188-R194 PolarHBondContact O-NH2 3.37Å; P191-R194 WeakPolarHBondContact O-CB 3.47Å; P191-R194 PolarHBondContact O-N 3.05Å; R194-G197 PolarHBondContact O-N 2.73Å; R194-I198 VanDerWaalsContact O-CG2 3.31Å; R194-I198 WeakPolarHBondContact O-CG2 3.18Å; R194-I198 PolarHBondContact O-N 2.62Å; R194-L232 HydrophobicContact CB-CD2 3.97Å; R194-L232 HydrophobicContact CG-CD2 3.99Å; R194-D235 WeakPolarHBondContact CD-OD2 3.36Å; R194-D235 IonicContact CZ-OD2 3.8Å; R194-D235 IonicContact NE-OD2 2.66Å; R194-D235 IonicContact NH1-OD2 2.78Å; R194-D235 PolarHBondContact NH1-OD2 3.18Å; R194-V240 HydrophobicContact CB-CG1 3.95Å; R194-V240 HydrophobicContact CB-CG2 4.1Å |
| 195 | Q | 92.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 29% | 0.285 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 179.4 | -173.2 | 173.9 | -36 | 0 | 0 | 112 | I193 S199 V240 | I193-Q195 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 3.36Å; Q195-S199 WeakPolarHBondContact O-CB 3.45Å; Q195-S199 PolarHBondContact O-N 3.37Å; Q195-S199 VanDerWaalsContact O-N 3.09Å; Q195-V240 HydrophobicContact CB-CG2 3.77Å; Q195-V240 HydrophobicContact CG-CG2 4.47Å |
| 196 | Y | 92.4 | Very high | 90.8 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 178.1 | -51.6 | -49.4 | 0 | 0 | 0 | 111.5 | L150 P151 L153 E154 I193 F200 | L150-Y196 WeakPolarHBondContact O-CB 3.32Å; P151-Y196 HydrophobicContact CB-CE2 4.46Å; L153-Y196 HydrophobicContact CB-CD1 4.4Å; E154-Y196 HydrophobicContact CB-CE1 4.44Å; I193-Y196 HydrophobicContact CB-CD2 4.38Å; I193-Y196 HydrophobicContact CG2-CD2 4.34Å; I193-Y196 PolarHBondContact O-N 2.85Å; Y196-F200 WeakPolarHBondContact O-CB 3.35Å; Y196-F200 PolarHBondContact O-N 3.03Å |
| 197 | G | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.8 | -44.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I193 R194 F200 I201 | I193-G197 PolarHBondContact O-N 3.23Å; R194-G197 PolarHBondContact O-N 2.73Å; G197-F200 PolarHBondContact O-N 3.37Å; G197-I201 WeakPolarHBondContact O-CD1 3.3Å; G197-I201 WeakPolarHBondContact O-CG1 3.27Å; G197-I201 PolarHBondContact O-N 2.97Å |
| 198 | I | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.9 | -35.8 | 177.9 | -164.3 | 57.4 | 0 | 0 | 0 | 111.9 | W184 R194 I201 L202 L232 D243 F247 | W184-I198 HydrophobicContact CH2-CD1 4.09Å; W184-I198 HydrophobicContact CZ3-CD1 4.06Å; R194-I198 VanDerWaalsContact O-CG2 3.31Å; R194-I198 WeakPolarHBondContact O-CG2 3.18Å; R194-I198 PolarHBondContact O-N 2.62Å; I198-I201 HydrophobicContact CD1-CB 4.5Å; I198-I201 HydrophobicContact CD1-CD1 4.33Å; I198-I201 PolarHBondContact O-N 3.39Å; I198-L202 PolarHBondContact O-N 3.03Å; I198-L232 HydrophobicContact CB-CD2 4.47Å; I198-L232 HydrophobicContact CD1-CD1 3.95Å; I198-L232 HydrophobicContact CG1-CD1 4.33Å; I198-D243 HydrophobicContact CG1-CB 3.98Å; I198-D243 HydrophobicContact CG2-CB 3.74Å; I198-F247 HydrophobicContact CD1-CB 4.35Å |
| 199 | S | 92.2 | Very high | 87.9 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 174.5 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | Q195 I201 L202 N203 | Q195-S199 WeakPolarHBondContact O-CB 3.45Å; Q195-S199 PolarHBondContact O-N 3.37Å; Q195-S199 VanDerWaalsContact O-N 3.09Å; S199-I201 PolarHBondContact O-N 3.18Å; S199-L202 PolarHBondContact O-N 2.91Å; S199-N203 WeakPolarHBondContact O-CB 3.4Å; S199-N203 PolarHBondContact O-N 3.46Å; S199-N203 PolarHBondContact O-ND2 3.45Å; S199-N203 VanDerWaalsContact O-ND2 3.07Å; S199-N203 PolarHBondContact OG-ND2 2.91Å |
| 200 | F | 93.7 | Very high | 86.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.022 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 171.6 | -174.1 | -89.5 | 0 | 0 | 0 | 111.8 | L153 N164 L167 F179 L183 Y196 G197 L202 N203 H204 | L153-F200 HydrophobicContact CD1-CB 3.82Å; L153-F200 HydrophobicContact CD1-CD2 3.7Å; L153-F200 HydrophobicContact CD1-CG 4.13Å; L153-F200 HydrophobicContact CD2-CD2 4.32Å; N164-F200 WeakPolarHBondContact OD1-CE2 3.4Å; L167-F200 HydrophobicContact CB-CD2 4.39Å; L167-F200 HydrophobicContact CB-CE2 3.5Å; L167-F200 VanDerWaalsContact CB-CE2 3.5Å; L167-F200 HydrophobicContact CB-CZ 3.72Å; L167-F200 HydrophobicContact CD1-CD2 4.08Å; L167-F200 HydrophobicContact CD1-CE2 4Å; L167-F200 HydrophobicContact CG-CE2 4.38Å; F179-F200 HydrophobicContact CE1-CD1 4.22Å; F179-F200 AromaticContact CE1-CE1 3.53Å; F179-F200 HydrophobicContact CE1-CE1 3.53Å; F179-F200 HydrophobicContact CE1-CZ 4.19Å; F179-F200 AromaticContact CZ-CE1 3.76Å; F179-F200 HydrophobicContact CZ-CE1 3.76Å; F179-F200 AromaticContact CZ-CZ 3.99Å; F179-F200 HydrophobicContact CZ-CZ 3.99Å; L183-F200 HydrophobicContact CD2-CD1 3.96Å; Y196-F200 WeakPolarHBondContact O-CB 3.35Å; Y196-F200 PolarHBondContact O-N 3.03Å; G197-F200 PolarHBondContact O-N 3.37Å; F200-L202 VanDerWaalsContact C-N 3.33Å; F200-L202 PolarHBondContact O-N 3.24Å; F200-N203 PolarHBondContact O-N 2.83Å; F200-H204 AromaticContact CD1-CD2 3.82Å; F200-H204 AromaticContact CD2-CD2 3.62Å; F200-H204 AromaticContact CD2-NE2 3.79Å; F200-H204 AromaticContact CE1-CD2 3.57Å; F200-H204 AromaticContact CE2-CD2 3.38Å; F200-H204 WeakPolarHBondContact CE2-CD2 3.11Å; F200-H204 AromaticContact CE2-NE2 3.28Å; F200-H204 VanDerWaalsContact CE2-NE2 3.28Å; F200-H204 WeakPolarHBondContact CE2-NE2 3.1Å; F200-H204 AromaticContact CG-CD2 3.84Å; F200-H204 AromaticContact CZ-CD2 3.36Å; F200-H204 WeakPolarHBondContact CZ-CD2 3.24Å; F200-H204 AromaticContact CZ-NE2 3.53Å; F200-H204 PolarHBondContact O-CD2 3.35Å; F200-H204 VanDerWaalsContact O-CD2 3.28Å; F200-H204 PolarHBondContact O-N 2.91Å |
| 201 | I | 93.5 | Very high | 86 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 177.9 | -70.2 | 157.3 | 0 | 0 | 0 | 111.4 | Y180 L183 W184 L187 G197 I198 S199 L205 I217 F247 | Y180-I201 HydrophobicContact CD1-CG1 4.06Å; Y180-I201 HydrophobicContact CE1-CG1 3.84Å; L183-I201 HydrophobicContact CD2-CD1 3.84Å; L183-I201 HydrophobicContact CD2-CG1 3.64Å; L183-I201 HydrophobicContact CG-CD1 4.09Å; L183-I201 HydrophobicContact CG-CG1 4.43Å; W184-I201 HydrophobicContact CD2-CD1 4.1Å; W184-I201 HydrophobicContact CE3-CD1 4.08Å; W184-I201 HydrophobicContact CH2-CD1 3.76Å; W184-I201 HydrophobicContact CH2-CG2 4.1Å; W184-I201 HydrophobicContact CZ2-CD1 3.74Å; W184-I201 HydrophobicContact CZ2-CG1 4.42Å; W184-I201 HydrophobicContact CZ2-CG2 3.94Å; W184-I201 HydrophobicContact CZ3-CD1 3.92Å; L187-I201 HydrophobicContact CD1-CD1 3.77Å; G197-I201 WeakPolarHBondContact O-CD1 3.3Å; G197-I201 WeakPolarHBondContact O-CG1 3.27Å; G197-I201 PolarHBondContact O-N 2.97Å; I198-I201 HydrophobicContact CD1-CB 4.5Å; I198-I201 HydrophobicContact CD1-CD1 4.33Å; I198-I201 PolarHBondContact O-N 3.39Å; S199-I201 PolarHBondContact O-N 3.18Å; I201-L205 WeakPolarHBondContact O-CB 3.49Å; I201-L205 PolarHBondContact O-N 3.46Å; I201-L205 VanDerWaalsContact O-N 3.12Å; I201-I217 HydrophobicContact CG2-CG2 3.99Å; I201-F247 HydrophobicContact CG2-CD2 3.61Å; I201-F247 HydrophobicContact CG2-CE2 3.53Å |
| 202 | L | 90.9 | Very high | 85.1 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.3 | -75.2 | -174.8 | 0 | 0 | 0 | 113.3 | I198 S199 F200 H204 L205 D243 D246 F247 L250 | I198-L202 PolarHBondContact O-N 3.03Å; S199-L202 PolarHBondContact O-N 2.91Å; F200-L202 VanDerWaalsContact C-N 3.33Å; F200-L202 PolarHBondContact O-N 3.24Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.43Å; L202-L205 PolarHBondContact O-N 2.89Å; L202-D243 HydrophobicContact CD1-CB 3.58Å; L202-D246 HydrophobicContact CD1-CB 4.22Å; L202-F247 HydrophobicContact CD2-CB 3.92Å; L202-F247 HydrophobicContact CD2-CD2 4.39Å; L202-L250 HydrophobicContact CD2-CD1 4.38Å |
| 203 | N | 89.5 | Confident | 84.5 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 64% | 0.642 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.2 | -27.5 | -177.5 | -67.2 | -28.3 | 0 | 0 | 0 | 112.2 | S199 F200 | S199-N203 WeakPolarHBondContact O-CB 3.4Å; S199-N203 PolarHBondContact O-N 3.46Å; S199-N203 PolarHBondContact O-ND2 3.45Å; S199-N203 VanDerWaalsContact O-ND2 3.07Å; S199-N203 PolarHBondContact OG-ND2 2.91Å; F200-N203 PolarHBondContact O-N 2.83Å |
| 204 | H | 89.1 | Confident | 84.1 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 22% | 0.218 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -93.2 | -8.4 | 176.7 | -74.5 | -70 | 0 | 0 | 0 | 114.7 | N164 E168 Y180 F200 L202 N206 Q214 | N164-H204 PolarHBondContact OD1-NE2 2.9Å; E168-H204 IonicContact OE1-CE1 2.74Å; E168-H204 PolarHBondContact OE1-CE1 2.87Å; E168-H204 VanDerWaalsContact OE1-CE1 3.28Å; E168-H204 IonicContact OE1-NE2 3.25Å; Y180-H204 WeakPolarHBondContact OH-CB 3.48Å; F200-H204 AromaticContact CD1-CD2 3.82Å; F200-H204 AromaticContact CD2-CD2 3.62Å; F200-H204 AromaticContact CD2-NE2 3.79Å; F200-H204 AromaticContact CE1-CD2 3.57Å; F200-H204 AromaticContact CE2-CD2 3.38Å; F200-H204 WeakPolarHBondContact CE2-CD2 3.11Å; F200-H204 AromaticContact CE2-NE2 3.28Å; F200-H204 VanDerWaalsContact CE2-NE2 3.28Å; F200-H204 WeakPolarHBondContact CE2-NE2 3.1Å; F200-H204 AromaticContact CG-CD2 3.84Å; F200-H204 AromaticContact CZ-CD2 3.36Å; F200-H204 WeakPolarHBondContact CZ-CD2 3.24Å; F200-H204 AromaticContact CZ-NE2 3.53Å; F200-H204 PolarHBondContact O-CD2 3.35Å; F200-H204 VanDerWaalsContact O-CD2 3.28Å; F200-H204 PolarHBondContact O-N 2.91Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.43Å; H204-N206 PolarHBondContact O-N 2.95Å; H204-Q214 PolarHBondContact O-NE2 3.21Å; H204-Q214 VanDerWaalsContact O-NE2 3.16Å |
| 205 | L | 85.9 | Confident | 83.5 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | trans | -76.8 | 102.9 | 170.8 | -178.1 | 63.6 | 0 | 0 | 0 | 110.2 | I201 L202 K207 L211 I217 F247 L250 A251 | I201-L205 WeakPolarHBondContact O-CB 3.49Å; I201-L205 PolarHBondContact O-N 3.46Å; I201-L205 VanDerWaalsContact O-N 3.12Å; L202-L205 PolarHBondContact O-N 2.89Å; L205-K207 PolarHBondContact O-N 3.44Å; L205-K207 VanDerWaalsContact O-N 3.15Å; L205-L211 HydrophobicContact CD1-CD1 3.72Å; L205-I217 HydrophobicContact CB-CD1 4.32Å; L205-I217 HydrophobicContact CD1-CD1 3.8Å; L205-F247 HydrophobicContact CD2-CD2 4.42Å; L205-L250 HydrophobicContact CD2-CB 3.86Å; L205-L250 HydrophobicContact CD2-CD1 4.15Å; L205-A251 HydrophobicContact CD2-CB 4.15Å | ||
| 206 | N | 81.4 | Confident | 83.3 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -85.5 | 95 | -175.9 | -170.1 | -34.4 | 0 | 0 | 0 | 110.5 | H204 R208 K209 Q214 | H204-N206 PolarHBondContact O-N 2.95Å; N206-R208 PolarHBondContact O-N 3.03Å; N206-R208 WeakPolarHBondContact OD1-CB 3.48Å; N206-R208 PolarHBondContact OD1-N 2.73Å; N206-R208 VanDerWaalsContact OD1-N 3.15Å; N206-K209 HydrophobicContact CB-CB 4.5Å; N206-K209 HydrophobicContact CB-CD 4.2Å; N206-K209 HydrophobicContact CB-CG 4.24Å; N206-K209 PolarHBondContact O-N 3.17Å; N206-Q214 VanDerWaalsContact CB-OE1 3.3Å; N206-Q214 PolarHBondContact O-OE1 2.95Å | ||
| 207 | K | 76.6 | Confident | 83.1 | Confident | 109 Ų | 109 | 56.3 Ų | 56.3 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -24.8 | 179.6 | -56.6 | -176.5 | -178.7 | -175.7 | 0 | 115.3 | L205 L250 | L205-K207 PolarHBondContact O-N 3.44Å; L205-K207 VanDerWaalsContact O-N 3.15Å; K207-L250 HydrophobicContact CD-CD2 4.15Å; K207-L250 HydrophobicContact CG-CD2 4.32Å |
| 208 | R | 69.6 | Low | 82.7 | Confident | 223 Ų | 223 | 56.6 Ų | 56.6 | 84% | 0.842 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -2 | -179.6 | -56.2 | -179.5 | -177.3 | 163.6 | 0.9 | 114.3 | N206 | N206-R208 PolarHBondContact O-N 3.03Å; N206-R208 WeakPolarHBondContact OD1-CB 3.48Å; N206-R208 PolarHBondContact OD1-N 2.73Å; N206-R208 VanDerWaalsContact OD1-N 3.15Å |
| 209 | K | 71.8 | Confident | 82.4 | Confident | 109 Ų | 109 | 56.9 Ų | 56.9 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -106.3 | 144 | 178.1 | -68.8 | -174 | 177.4 | -177.1 | 0 | 110.1 | N206 L211 M317 | N206-K209 HydrophobicContact CB-CB 4.5Å; N206-K209 HydrophobicContact CB-CD 4.2Å; N206-K209 HydrophobicContact CB-CG 4.24Å; N206-K209 PolarHBondContact O-N 3.17Å; K209-L211 PolarHBondContact O-N 3.25Å; K209-M317 WeakPolarHBondContact O-CE 3.38Å |
| 210 | L | 67.8 | Low | 82.1 | Confident | 103 Ų | 103 | 59 Ų | 59 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | trans | -58.4 | 130.3 | 169.2 | -71.3 | 90 | 0 | 0 | 0 | 109.6 | N212 N213 | L210-N212 PolarHBondContact O-N 3.42Å; L210-N213 WeakPolarHBondContact O-CB 3.35Å; L210-N213 PolarHBondContact O-N 3.4Å | ||
| 211 | L | 73 | Confident | 81.7 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -66.4 | -23.2 | -169.1 | -166.4 | 40.3 | 0 | 0 | 0 | 113.4 | L205 K209 N213 Q214 S215 Y218 A251 F269 M317 | L205-L211 HydrophobicContact CD1-CD1 3.72Å; K209-L211 PolarHBondContact O-N 3.25Å; L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 2.9Å; L211-Q214 HydrophobicContact CD1-CB 4.28Å; L211-Q214 CarbonylContact O-C 3.56Å; L211-Q214 VanDerWaalsContact O-C 3.31Å; L211-Q214 WeakPolarHBondContact O-CA 3.5Å; L211-Q214 PolarHBondContact O-N 3.21Å; L211-S215 PolarHBondContact O-N 3.35Å; L211-S215 VanDerWaalsContact O-N 3.09Å; L211-Y218 VanDerWaalsContact CD2-OH 3.28Å; L211-Y218 WeakPolarHBondContact CD2-OH 3.39Å; L211-Y218 HydrophobicContact CG-CE2 4.43Å; L211-Y218 WeakPolarHBondContact CG-OH 3.39Å; L211-A251 HydrophobicContact CD2-CB 4.07Å; L211-F269 HydrophobicContact CB-CE1 4.29Å; L211-F269 HydrophobicContact CB-CZ 4.37Å; L211-F269 HydrophobicContact CD2-CE1 3.68Å; L211-F269 HydrophobicContact CD2-CZ 3.95Å; L211-F269 HydrophobicContact CG-CE1 3.86Å; L211-F269 HydrophobicContact CG-CZ 4.33Å; L211-M317 HydrophobicContact CB-CE 4.06Å; L211-M317 HydrophobicContact CD2-CE 4.48Å |
| 212 | N | 68.1 | Low | 81.4 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -54.8 | -40.5 | 168.5 | -166.6 | 10.4 | 0 | 0 | 0 | 112.1 | L210 Q214 S215 P268 | L210-N212 PolarHBondContact O-N 3.42Å; N212-Q214 PolarHBondContact O-N 2.75Å; N212-S215 WeakPolarHBondContact O-CB 3.34Å; N212-S215 PolarHBondContact O-N 2.83Å; N212-S215 PolarHBondContact O-OG 2.8Å; N212-P268 HydrophobicContact CB-CB 4.32Å |
| 213 | N | 75.2 | Confident | 81.3 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 60% | 0.599 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -74.2 | -4.9 | 177.4 | -62.2 | -15.4 | 0 | 0 | 0 | 113.3 | L210 L211 | L210-N213 WeakPolarHBondContact O-CB 3.35Å; L210-N213 PolarHBondContact O-N 3.4Å; L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 2.9Å |
| 214 | Q | 82 | Confident | 81.4 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -123.4 | 20 | 173.7 | -60.5 | -156.8 | -90.1 | 0 | 0 | 112.8 | H204 N206 L211 N212 Y216 I217 | H204-Q214 PolarHBondContact O-NE2 3.21Å; H204-Q214 VanDerWaalsContact O-NE2 3.16Å; N206-Q214 VanDerWaalsContact CB-OE1 3.3Å; N206-Q214 PolarHBondContact O-OE1 2.95Å; L211-Q214 HydrophobicContact CD1-CB 4.28Å; L211-Q214 CarbonylContact O-C 3.56Å; L211-Q214 VanDerWaalsContact O-C 3.31Å; L211-Q214 WeakPolarHBondContact O-CA 3.5Å; L211-Q214 PolarHBondContact O-N 3.21Å; N212-Q214 PolarHBondContact O-N 2.75Å; Q214-Y216 HydrophobicContact CB-CE1 4.36Å; Q214-Y216 PolarHBondContact NE2-OH 2.87Å; Q214-Y216 VanDerWaalsContact NE2-OH 3.07Å; Q214-Y216 PolarHBondContact O-N 2.97Å; Q214-I217 HydrophobicContact CB-CD1 3.9Å; Q214-I217 HydrophobicContact CB-CG1 4.38Å; Q214-I217 WeakPolarHBondContact O-CB 3.35Å; Q214-I217 WeakPolarHBondContact O-CG1 3.42Å; Q214-I217 PolarHBondContact O-N 3.5Å |
| 215 | S | 81.4 | Confident | 81.5 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -52.5 | -24.8 | 179.1 | 45 | 0 | 0 | 0 | 0 | 114.5 | L211 N212 I217 Y218 | L211-S215 PolarHBondContact O-N 3.35Å; L211-S215 VanDerWaalsContact O-N 3.09Å; N212-S215 WeakPolarHBondContact O-CB 3.34Å; N212-S215 PolarHBondContact O-N 2.83Å; N212-S215 PolarHBondContact O-OG 2.8Å; S215-I217 PolarHBondContact O-N 3.23Å; S215-Y218 WeakPolarHBondContact O-CD2 3.36Å; S215-Y218 PolarHBondContact O-N 2.88Å |
| 216 | Y | 86 | Confident | 81.8 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -59.3 | -22.1 | 172.9 | 57.3 | -101.7 | 0 | 0 | 0 | 114.5 | Y180 Q214 Y218 G219 | Y180-Y216 WeakPolarHBondContact CB-O 3.22Å; Y180-Y216 AromaticContact CD2-CD2 3.9Å; Y180-Y216 HydrophobicContact CD2-CD2 3.9Å; Y180-Y216 AromaticContact CE2-CD2 3.73Å; Y180-Y216 HydrophobicContact CE2-CD2 3.73Å; Y180-Y216 AromaticContact CE2-CE2 3.94Å; Y180-Y216 HydrophobicContact CE2-CE2 3.94Å; Q214-Y216 HydrophobicContact CB-CE1 4.36Å; Q214-Y216 PolarHBondContact NE2-OH 2.87Å; Q214-Y216 VanDerWaalsContact NE2-OH 3.07Å; Q214-Y216 PolarHBondContact O-N 2.97Å; Y216-Y218 PolarHBondContact O-N 2.68Å; Y216-G219 PolarHBondContact O-N 3.45Å; Y216-G219 VanDerWaalsContact O-N 3.17Å |
| 217 | I | 88.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -64.6 | -26.9 | 179.2 | -64.8 | 178.9 | 0 | 0 | 0 | 111.5 | Y180 W184 I201 L205 Q214 S215 G219 F247 | Y180-I217 HydrophobicContact CD1-CG2 4.24Å; Y180-I217 HydrophobicContact CE1-CB 4.49Å; Y180-I217 HydrophobicContact CE1-CG1 4.31Å; Y180-I217 HydrophobicContact CE1-CG2 4.14Å; Y180-I217 HydrophobicContact CE2-CG1 4.15Å; W184-I217 PolarHBondContact NE1-O 3Å; I201-I217 HydrophobicContact CG2-CG2 3.99Å; L205-I217 HydrophobicContact CB-CD1 4.32Å; L205-I217 HydrophobicContact CD1-CD1 3.8Å; Q214-I217 HydrophobicContact CB-CD1 3.9Å; Q214-I217 HydrophobicContact CB-CG1 4.38Å; Q214-I217 WeakPolarHBondContact O-CB 3.35Å; Q214-I217 WeakPolarHBondContact O-CG1 3.42Å; Q214-I217 PolarHBondContact O-N 3.5Å; S215-I217 PolarHBondContact O-N 3.23Å; I217-G219 VanDerWaalsContact C-N 3.25Å; I217-G219 PolarHBondContact O-N 3.04Å; I217-F247 HydrophobicContact CG2-CE2 4.1Å |
| 218 | Y | 85.9 | Confident | 83 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -75.7 | -9.9 | 177.4 | -60 | -63.5 | 0 | 0 | 0 | 114.2 | L211 S215 Y216 L225 F247 A251 L252 F269 I272 | L211-Y218 VanDerWaalsContact CD2-OH 3.28Å; L211-Y218 WeakPolarHBondContact CD2-OH 3.39Å; L211-Y218 HydrophobicContact CG-CE2 4.43Å; L211-Y218 WeakPolarHBondContact CG-OH 3.39Å; S215-Y218 WeakPolarHBondContact O-CD2 3.36Å; S215-Y218 PolarHBondContact O-N 2.88Å; Y216-Y218 PolarHBondContact O-N 2.68Å; Y218-L225 HydrophobicContact CD1-CD1 4.41Å; Y218-L225 HydrophobicContact CD1-CD2 3.65Å; Y218-L225 HydrophobicContact CG-CD2 4.29Å; Y218-F247 HydrophobicContact CD1-CZ 4.36Å; Y218-F247 HydrophobicContact CE1-CZ 4.1Å; Y218-A251 HydrophobicContact CE1-CB 4.38Å; Y218-A251 PolarHBondContact OH-O 3Å; Y218-L252 HydrophobicContact CE1-CD2 3.98Å; Y218-L252 HydrophobicContact CE1-CG 4.36Å; Y218-F269 HydrophobicContact CE2-CD1 4.37Å; Y218-F269 VanDerWaalsContact OH-CE1 3.31Å; Y218-F269 WeakPolarHBondContact OH-CE1 3.4Å; Y218-I272 HydrophobicContact CD1-CD1 3.99Å; Y218-I272 HydrophobicContact CD2-CD1 4.2Å; Y218-I272 HydrophobicContact CD2-CG1 4.01Å; Y218-I272 HydrophobicContact CG-CD1 3.78Å; Y218-I272 HydrophobicContact CG-CG1 3.96Å |
| 219 | G | 87.1 | Confident | 84.2 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | trans | 73 | -160.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A177 T181 Y216 I217 | A177-G219 WeakPolarHBondContact O-CA 3.43Å; T181-G219 WeakPolarHBondContact OG1-CA 3.28Å; Y216-G219 PolarHBondContact O-N 3.45Å; Y216-G219 VanDerWaalsContact O-N 3.17Å; I217-G219 VanDerWaalsContact C-N 3.25Å; I217-G219 PolarHBondContact O-N 3.04Å | ||
| 220 | L | 86.7 | Confident | 85.2 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -104.9 | -14.6 | -173.6 | -64.4 | 169.6 | 0 | 0 | 0 | 113.4 | A177 F178 T181 T273 | A177-L220 HydrophobicContact CB-CD2 3.73Å; A177-L220 HydrophobicContact CB-CG 4.06Å; F178-L220 HydrophobicContact CB-CD1 4.28Å; F178-L220 HydrophobicContact CD2-CD1 4.47Å; T181-L220 HydrophobicContact CG2-CB 4.39Å; T181-L220 WeakPolarHBondContact OG1-CB 3.22Å; T181-L220 WeakPolarHBondContact OG1-CG 3.46Å; T181-L220 PolarHBondContact OG1-N 2.83Å; L220-T273 WeakPolarHBondContact CA-OG1 3.46Å; L220-T273 WeakPolarHBondContact O-CB 3.48Å; L220-T273 WeakPolarHBondContact O-CG2 3.36Å; L220-T273 PolarHBondContact O-OG1 3.18Å |
| 221 | D | 86.5 | Confident | 86.3 | Confident | 58 Ų | 58 | 36.3 Ų | 36.3 | 31% | 0.31 | 19% | 0.191 | S | C | . | . | trans | -131.8 | 117.4 | 177.2 | -176.9 | 7.9 | 0 | 0 | 0 | 111.4 | N223 I224 L225 | D221-N223 PolarHBondContact O-N 2.97Å; D221-N223 WeakPolarHBondContact OD1-CB 3.38Å; D221-N223 PolarHBondContact OD1-N 3.23Å; D221-N223 PolarHBondContact OD1-ND2 2.67Å; D221-I224 HydrophobicContact CB-CB 4.38Å; D221-I224 HydrophobicContact CB-CD1 4.03Å; D221-I224 HydrophobicContact CB-CG1 4.04Å; D221-I224 PolarHBondContact O-N 3.45Å; D221-L225 PolarHBondContact O-N 2.88Å | ||
| 222 | K | 86.4 | Confident | 87.3 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 11% | 0.109 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -25.5 | 176.6 | 80.3 | -171 | -164.1 | -171.6 | 0 | 112.9 | V226 I272 Q275 S276 L277 | K222-V226 WeakPolarHBondContact O-CB 3.38Å; K222-V226 VanDerWaalsContact O-CG2 3.27Å; K222-V226 WeakPolarHBondContact O-CG2 3.24Å; K222-V226 PolarHBondContact O-N 3.46Å; K222-I272 HydrophobicContact CB-CG2 3.82Å; K222-Q275 HydrophobicContact CD-CB 4.17Å; K222-S276 PolarHBondContact NZ-O 2.89Å; K222-L277 HydrophobicContact CB-CD2 4.24Å |
| 223 | N | 89 | Confident | 88.4 | Confident | 81 Ų | 81 | 32.9 Ų | 32.9 | 43% | 0.433 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68.5 | -44.7 | 176.6 | -58.7 | -78.2 | 0 | 0 | 0 | 110.3 | D221 L225 V226 E227 | D221-N223 PolarHBondContact O-N 2.97Å; D221-N223 WeakPolarHBondContact OD1-CB 3.38Å; D221-N223 PolarHBondContact OD1-N 3.23Å; D221-N223 PolarHBondContact OD1-ND2 2.67Å; N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 2.9Å; N223-V226 PolarHBondContact O-N 3.24Å; N223-E227 WeakPolarHBondContact O-CB 3.32Å; N223-E227 PolarHBondContact O-N 2.88Å |
| 224 | I | 91.4 | Very high | 89 | Confident | 34 Ų | 34 | 27.7 Ų | 27.7 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.7 | -61.2 | 178.4 | 0 | 0 | 0 | 110.6 | T181 W184 E185 I188 D221 S228 | T181-I224 HydrophobicContact CG2-CD1 3.97Å; W184-I224 HydrophobicContact CB-CG2 3.75Å; E185-I224 HydrophobicContact CB-CG2 4Å; I188-I224 HydrophobicContact CD1-CG2 3.98Å; D221-I224 HydrophobicContact CB-CB 4.38Å; D221-I224 HydrophobicContact CB-CD1 4.03Å; D221-I224 HydrophobicContact CB-CG1 4.04Å; D221-I224 PolarHBondContact O-N 3.45Å; I224-S228 WeakPolarHBondContact O-CB 3.38Å; I224-S228 PolarHBondContact O-N 3.28Å; I224-S228 PolarHBondContact O-OG 2.99Å |
| 225 | L | 91.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 173.4 | 177.4 | 68.6 | 0 | 0 | 0 | 112.4 | W184 Y218 D221 N223 S228 L229 F247 I272 | W184-L225 HydrophobicContact CD2-CD1 3.84Å; W184-L225 VanDerWaalsContact CE2-CD1 3.44Å; W184-L225 HydrophobicContact CE3-CD1 4.25Å; W184-L225 HydrophobicContact CG-CD1 4.38Å; W184-L225 HydrophobicContact CH2-CD1 3.98Å; W184-L225 HydrophobicContact CZ2-CD1 3.53Å; W184-L225 HydrophobicContact CZ3-CD1 4.31Å; Y218-L225 HydrophobicContact CD1-CD1 4.41Å; Y218-L225 HydrophobicContact CD1-CD2 3.65Å; Y218-L225 HydrophobicContact CG-CD2 4.29Å; D221-L225 PolarHBondContact O-N 2.88Å; N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 2.9Å; L225-S228 PolarHBondContact O-OG 3.42Å; L225-L229 HydrophobicContact CD1-CD1 4.02Å; L225-L229 HydrophobicContact CG-CD1 4.14Å; L225-L229 WeakPolarHBondContact O-CB 3.15Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.46Å; L225-L229 PolarHBondContact O-N 3.38Å; L225-L229 VanDerWaalsContact O-N 3.1Å; L225-F247 HydrophobicContact CD1-CE1 4.39Å; L225-I272 HydrophobicContact CD2-CD1 3.91Å |
| 226 | V | 91.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.7 | -43 | -177.9 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | K222 N223 C230 L277 D281 K284 L285 | K222-V226 WeakPolarHBondContact O-CB 3.38Å; K222-V226 VanDerWaalsContact O-CG2 3.27Å; K222-V226 WeakPolarHBondContact O-CG2 3.24Å; K222-V226 PolarHBondContact O-N 3.46Å; N223-V226 PolarHBondContact O-N 3.24Å; V226-C230 WeakPolarHBondContact O-CB 3.23Å; V226-C230 PolarHBondContact O-N 3.36Å; V226-C230 PolarHBondContact O-SG 3.32Å; V226-L277 HydrophobicContact CG2-CD2 3.72Å; V226-D281 HydrophobicContact CG2-CB 4.2Å; V226-K284 HydrophobicContact CG1-CB 4.19Å; V226-K284 HydrophobicContact CG1-CD 3.83Å; V226-L285 HydrophobicContact CG1-CD2 4.15Å; V226-L285 HydrophobicContact CG1-CG 4.22Å; V226-L285 HydrophobicContact CG2-CD1 4.49Å |
| 227 | E | 91.3 | Very high | 89.7 | Confident | 107 Ų | 107 | 26.4 Ų | 26.4 | 50% | 0.5 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.3 | -163.9 | 86.6 | 178.2 | 0 | 0 | 111 | I188 N223 C230 C231 | I188-E227 HydrophobicContact CD1-CB 3.86Å; I188-E227 HydrophobicContact CD1-CG 3.95Å; I188-E227 HydrophobicContact CG1-CB 4.35Å; I188-E227 HydrophobicContact CG1-CG 4.28Å; N223-E227 WeakPolarHBondContact O-CB 3.32Å; N223-E227 PolarHBondContact O-N 2.88Å; E227-C230 WeakPolarHBondContact O-CB 3.29Å; E227-C230 PolarHBondContact O-N 3.18Å; E227-C231 PolarHBondContact O-N 2.89Å; E227-C231 PolarHBondContact O-SG 2.84Å; E227-C231 VanDerWaalsContact O-SG 3.32Å |
| 228 | S | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | W184 I224 L225 C230 C231 L232 | W184-S228 VanDerWaalsContact O-CB 3.31Å; W184-S228 WeakPolarHBondContact O-CB 3.42Å; I224-S228 WeakPolarHBondContact O-CB 3.38Å; I224-S228 PolarHBondContact O-N 3.28Å; I224-S228 PolarHBondContact O-OG 2.99Å; L225-S228 PolarHBondContact O-OG 3.42Å; S228-C230 VanDerWaalsContact C-N 3.31Å; S228-C230 PolarHBondContact O-N 3.4Å; S228-C231 WeakPolarHBondContact O-CB 3.34Å; S228-C231 PolarHBondContact O-N 3.14Å; S228-C231 VanDerWaalsContact O-N 3.09Å; S228-L232 VanDerWaalsContact O-CG 3.25Å; S228-L232 WeakPolarHBondContact O-CG 3.08Å; S228-L232 PolarHBondContact O-N 3.38Å |
| 229 | L | 94 | Very high | 90 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 172.9 | -71.7 | 168.7 | 0 | 0 | 0 | 111.8 | W184 L225 C231 L232 F233 F247 I248 L252 L285 | W184-L229 HydrophobicContact CH2-CD2 4.12Å; W184-L229 HydrophobicContact CZ3-CD2 3.9Å; W184-L229 HydrophobicContact CZ3-CG 4.17Å; L225-L229 HydrophobicContact CD1-CD1 4.02Å; L225-L229 HydrophobicContact CG-CD1 4.14Å; L225-L229 WeakPolarHBondContact O-CB 3.15Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.46Å; L225-L229 PolarHBondContact O-N 3.38Å; L225-L229 VanDerWaalsContact O-N 3.1Å; L229-C231 VanDerWaalsContact C-N 3.33Å; L229-C231 PolarHBondContact O-N 3.07Å; L229-L232 HydrophobicContact CD2-CD1 4.28Å; L229-L232 PolarHBondContact O-N 2.96Å; L229-F233 HydrophobicContact CB-CE2 4.17Å; L229-F233 HydrophobicContact CB-CZ 4.36Å; L229-F233 WeakPolarHBondContact O-CD2 3.48Å; L229-F233 WeakPolarHBondContact O-CG 3.26Å; L229-F233 PolarHBondContact O-N 2.92Å; L229-F247 HydrophobicContact CD1-CD1 4.41Å; L229-F247 HydrophobicContact CD1-CE1 4.23Å; L229-F247 HydrophobicContact CD2-CD1 3.77Å; L229-F247 HydrophobicContact CD2-CE1 4.26Å; L229-I248 HydrophobicContact CD1-CG2 4.39Å; L229-I248 HydrophobicContact CD2-CG2 4.34Å; L229-L252 HydrophobicContact CD1-CD1 3.62Å; L229-L285 HydrophobicContact CB-CD2 3.53Å; L229-L285 HydrophobicContact CD1-CD2 3.94Å; L229-L285 HydrophobicContact CG-CD2 4.4Å |
| 230 | C | 92.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 16% | 0.162 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 172.8 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | V226 E227 S228 A288 P385 | V226-C230 WeakPolarHBondContact O-CB 3.23Å; V226-C230 PolarHBondContact O-N 3.36Å; V226-C230 PolarHBondContact O-SG 3.32Å; E227-C230 WeakPolarHBondContact O-CB 3.29Å; E227-C230 PolarHBondContact O-N 3.18Å; S228-C230 VanDerWaalsContact C-N 3.31Å; S228-C230 PolarHBondContact O-N 3.4Å; C230-A288 HydrophobicContact CB-CB 3.69Å; C230-A288 VanDerWaalsContact SG-CB 3.59Å; C230-P385 WeakPolarHBondContact O-CG 3.3Å |
| 231 | C | 91.6 | Very high | 90.6 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 14% | 0.142 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 174.7 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | E227 S228 L229 G234 D235 | E227-C231 PolarHBondContact O-N 2.89Å; E227-C231 PolarHBondContact O-SG 2.84Å; E227-C231 VanDerWaalsContact O-SG 3.32Å; S228-C231 WeakPolarHBondContact O-CB 3.34Å; S228-C231 PolarHBondContact O-N 3.14Å; S228-C231 VanDerWaalsContact O-N 3.09Å; L229-C231 VanDerWaalsContact C-N 3.33Å; L229-C231 PolarHBondContact O-N 3.07Å; C231-G234 PolarHBondContact O-N 2.87Å; C231-D235 PolarHBondContact O-N 2.72Å |
| 232 | L | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.3 | -38 | -179.2 | -65.5 | 163 | 0 | 0 | 0 | 112.4 | W184 L187 R194 I198 S228 L229 G234 D235 V240 Q241 A244 | W184-L232 HydrophobicContact CZ3-CD1 4Å; L187-L232 HydrophobicContact CB-CD2 4.41Å; L187-L232 HydrophobicContact CD1-CD1 4.11Å; L187-L232 HydrophobicContact CD2-CD2 4.34Å; R194-L232 HydrophobicContact CB-CD2 3.97Å; R194-L232 HydrophobicContact CG-CD2 3.99Å; I198-L232 HydrophobicContact CB-CD2 4.47Å; I198-L232 HydrophobicContact CD1-CD1 3.95Å; I198-L232 HydrophobicContact CG1-CD1 4.33Å; S228-L232 VanDerWaalsContact O-CG 3.25Å; S228-L232 WeakPolarHBondContact O-CG 3.08Å; S228-L232 PolarHBondContact O-N 3.38Å; L229-L232 HydrophobicContact CD2-CD1 4.28Å; L229-L232 PolarHBondContact O-N 2.96Å; L232-G234 VanDerWaalsContact C-N 3.26Å; L232-G234 PolarHBondContact O-N 3.47Å; L232-D235 VanDerWaalsContact O-CB 3.29Å; L232-D235 WeakPolarHBondContact O-CB 3.24Å; L232-D235 PolarHBondContact O-N 2.97Å; L232-D235 VanDerWaalsContact O-N 3.15Å; L232-V240 HydrophobicContact CB-CG1 4.23Å; L232-V240 HydrophobicContact CD2-CG1 3.4Å; L232-V240 VanDerWaalsContact CD2-CG1 3.4Å; L232-V240 HydrophobicContact CG-CG1 4.42Å; L232-Q241 WeakPolarHBondContact O-CG 3.29Å; L232-A244 HydrophobicContact CB-CB 3.65Å; L232-A244 HydrophobicContact CD1-CB 4.23Å |
| 233 | F | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -31.7 | 175.3 | -60.7 | -42.2 | 0 | 0 | 0 | 112.8 | L229 D235 Q241 A244 L245 I248 L285 A288 S291 I292 | L229-F233 HydrophobicContact CB-CE2 4.17Å; L229-F233 HydrophobicContact CB-CZ 4.36Å; L229-F233 WeakPolarHBondContact O-CD2 3.48Å; L229-F233 WeakPolarHBondContact O-CG 3.26Å; L229-F233 PolarHBondContact O-N 2.92Å; F233-D235 VanDerWaalsContact C-N 3.34Å; F233-Q241 WeakPolarHBondContact O-CG 3.29Å; F233-Q241 PolarHBondContact O-NE2 3.29Å; F233-A244 HydrophobicContact CD1-CB 4.05Å; F233-A244 HydrophobicContact CE1-CB 3.88Å; F233-L245 HydrophobicContact CD1-CD2 4.39Å; F233-L245 HydrophobicContact CE1-CD2 4.08Å; F233-L245 HydrophobicContact CE1-CG 4.44Å; F233-I248 HydrophobicContact CE1-CD1 4.07Å; F233-I248 HydrophobicContact CE1-CG2 4.48Å; F233-I248 HydrophobicContact CZ-CD1 3.77Å; F233-I248 HydrophobicContact CZ-CG2 3.81Å; F233-L285 HydrophobicContact CE2-CD2 4.17Å; F233-A288 HydrophobicContact CD2-CB 4.04Å; F233-S291 PolarHBondContact O-OG 3.33Å; F233-I292 HydrophobicContact CB-CD1 4.11Å; F233-I292 HydrophobicContact CB-CG1 4.46Å; F233-I292 HydrophobicContact CD1-CD1 3.89Å; F233-I292 HydrophobicContact CG-CD1 4.26Å |
| 234 | G | 86.2 | Confident | 91.6 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 11.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C231 L232 P387 | C231-G234 PolarHBondContact O-N 2.87Å; L232-G234 VanDerWaalsContact C-N 3.26Å; L232-G234 PolarHBondContact O-N 3.47Å; G234-P387 VanDerWaalsContact O-CA 3.27Å; G234-P387 WeakPolarHBondContact O-CA 3.38Å |
| 235 | D | 89.4 | Confident | 91.7 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | trans | -69.6 | 155.7 | -172.8 | -160.8 | -98.8 | 0 | 0 | 0 | 113.8 | R194 C231 L232 F233 V237 V240 Q241 R295 | R194-D235 WeakPolarHBondContact CD-OD2 3.36Å; R194-D235 IonicContact CZ-OD2 3.8Å; R194-D235 IonicContact NE-OD2 2.66Å; R194-D235 IonicContact NH1-OD2 2.78Å; R194-D235 PolarHBondContact NH1-OD2 3.18Å; C231-D235 PolarHBondContact O-N 2.72Å; L232-D235 VanDerWaalsContact O-CB 3.29Å; L232-D235 WeakPolarHBondContact O-CB 3.24Å; L232-D235 PolarHBondContact O-N 2.97Å; L232-D235 VanDerWaalsContact O-N 3.15Å; F233-D235 VanDerWaalsContact C-N 3.34Å; D235-V237 WeakPolarHBondContact OD1-CB 3.29Å; D235-V237 PolarHBondContact OD1-N 3.32Å; D235-V240 HydrophobicContact CB-CB 3.99Å; D235-V240 HydrophobicContact CB-CG1 3.6Å; D235-Q241 HydrophobicContact CB-CG 4.43Å; D235-Q241 PolarHBondContact O-NE2 3.49Å; D235-R295 VanDerWaalsContact O-CZ 3.3Å; D235-R295 PolarHBondContact O-NH1 3.17Å; D235-R295 PolarHBondContact O-NH2 2.82Å | ||
| 236 | S | 85.7 | Confident | 91.7 | Very high | 45 Ų | 45 | 26.5 Ų | 26.5 | 32% | 0.315 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -74.7 | -24.5 | 176.6 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | R295 Y388 | S236-R295 VanDerWaalsContact C-NH2 3.35Å; S236-R295 PolarHBondContact O-NH1 2.77Å; S236-R295 PolarHBondContact O-NH2 2.96Å; S236-Y388 VanDerWaalsContact CB-O 3.3Å; S236-Y388 WeakPolarHBondContact CB-O 3.25Å; S236-Y388 PolarHBondContact OG-O 2.86Å |
| 237 | V | 89.5 | Confident | 91.7 | Very high | 56 Ų | 56 | 26.4 Ų | 26.4 | 34% | 0.339 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -90.7 | 126.8 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | D235 L239 V240 Q241 | D235-V237 WeakPolarHBondContact OD1-CB 3.29Å; D235-V237 PolarHBondContact OD1-N 3.32Å; V237-L239 VanDerWaalsContact C-N 3.33Å; V237-L239 HydrophobicContact CG1-CB 4.12Å; V237-L239 PolarHBondContact O-N 3.5Å; V237-V240 HydrophobicContact CB-CB 4.25Å; V237-V240 HydrophobicContact CB-CG2 3.78Å; V237-V240 HydrophobicContact CG1-CG2 4.06Å; V237-V240 PolarHBondContact O-N 3.41Å; V237-Q241 PolarHBondContact O-N 3.39Å |
| 238 | L | 90.1 | Very high | 91.7 | Very high | 85 Ų | 85 | 21.3 Ų | 21.3 | 45% | 0.445 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -61.6 | -36.9 | 179.7 | -74.4 | 165.7 | 0 | 0 | 0 | 113.2 | V240 Q241 R242 D297 L300 | L238-V240 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 3.2Å; L238-Q241 PolarHBondContact O-N 3.23Å; L238-R242 WeakPolarHBondContact O-CB 3.32Å; L238-R242 PolarHBondContact O-N 3.25Å; L238-D297 HydrophobicContact CD2-CB 4.49Å; L238-L300 HydrophobicContact CD2-CD1 3.77Å |
| 239 | L | 91.2 | Very high | 91.5 | Very high | 72 Ų | 72 | 22.2 Ų | 22.2 | 38% | 0.377 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 177.5 | -65.2 | 173.2 | 0 | 0 | 0 | 112.1 | V237 Q241 R242 D243 | V237-L239 VanDerWaalsContact C-N 3.33Å; V237-L239 HydrophobicContact CG1-CB 4.12Å; V237-L239 PolarHBondContact O-N 3.5Å; L239-Q241 PolarHBondContact O-N 3.18Å; L239-R242 PolarHBondContact O-N 3.19Å; L239-D243 WeakPolarHBondContact O-CB 3.45Å; L239-D243 PolarHBondContact O-N 3.43Å |
| 240 | V | 93 | Very high | 91.1 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 111 | R194 Q195 L232 D235 V237 L238 D243 A244 | R194-V240 HydrophobicContact CB-CG1 3.95Å; R194-V240 HydrophobicContact CB-CG2 4.1Å; Q195-V240 HydrophobicContact CB-CG2 3.77Å; Q195-V240 HydrophobicContact CG-CG2 4.47Å; L232-V240 HydrophobicContact CB-CG1 4.23Å; L232-V240 HydrophobicContact CD2-CG1 3.4Å; L232-V240 VanDerWaalsContact CD2-CG1 3.4Å; L232-V240 HydrophobicContact CG-CG1 4.42Å; D235-V240 HydrophobicContact CB-CB 3.99Å; D235-V240 HydrophobicContact CB-CG1 3.6Å; V237-V240 HydrophobicContact CB-CB 4.25Å; V237-V240 HydrophobicContact CB-CG2 3.78Å; V237-V240 HydrophobicContact CG1-CG2 4.06Å; V237-V240 PolarHBondContact O-N 3.41Å; L238-V240 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 3.2Å; V240-D243 PolarHBondContact O-N 3.43Å; V240-A244 WeakPolarHBondContact O-CB 3.04Å; V240-A244 PolarHBondContact O-N 3.19Å |
| 241 | Q | 92.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 176.4 | -68 | 177.2 | -32.8 | 0 | 0 | 112.4 | L232 F233 D235 V237 L238 L239 D243 A244 L245 R295 L300 | L232-Q241 WeakPolarHBondContact O-CG 3.29Å; F233-Q241 WeakPolarHBondContact O-CG 3.29Å; F233-Q241 PolarHBondContact O-NE2 3.29Å; D235-Q241 HydrophobicContact CB-CG 4.43Å; D235-Q241 PolarHBondContact O-NE2 3.49Å; V237-Q241 PolarHBondContact O-N 3.39Å; L238-Q241 PolarHBondContact O-N 3.23Å; L239-Q241 PolarHBondContact O-N 3.18Å; Q241-D243 VanDerWaalsContact C-N 3.34Å; Q241-A244 PolarHBondContact O-N 2.82Å; Q241-L245 WeakPolarHBondContact O-CB 3.46Å; Q241-L245 WeakPolarHBondContact O-CG 3.41Å; Q241-L245 PolarHBondContact O-N 2.84Å; Q241-R295 VanDerWaalsContact CD-NH1 3.31Å; Q241-L300 HydrophobicContact CB-CD1 4.05Å; Q241-L300 HydrophobicContact CB-CD2 4.41Å |
| 242 | R | 94 | Very high | 90.4 | Very high | 90 Ų | 90 | 22.9 Ų | 22.9 | 34% | 0.34 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 175.9 | -172.8 | -162.1 | 68 | -176.3 | -1.5 | 110.8 | L238 L239 L245 D246 L300 | L238-R242 WeakPolarHBondContact O-CB 3.32Å; L238-R242 PolarHBondContact O-N 3.25Å; L239-R242 PolarHBondContact O-N 3.19Å; R242-L245 WeakPolarHBondContact O-CB 3.48Å; R242-L245 PolarHBondContact O-N 3.17Å; R242-D246 PolarHBondContact O-N 3.12Å; R242-L300 VanDerWaalsContact CA-CD2 3.46Å; R242-L300 HydrophobicContact CB-CD2 3.67Å; R242-L300 HydrophobicContact CG-CD2 4.24Å |
| 243 | D | 94.4 | Very high | 90 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73.1 | -32.9 | -174.6 | -69 | 6.3 | 0 | 0 | 0 | 111.2 | I198 L202 L239 V240 Q241 D246 F247 | I198-D243 HydrophobicContact CG1-CB 3.98Å; I198-D243 HydrophobicContact CG2-CB 3.74Å; L202-D243 HydrophobicContact CD1-CB 3.58Å; L239-D243 WeakPolarHBondContact O-CB 3.45Å; L239-D243 PolarHBondContact O-N 3.43Å; V240-D243 PolarHBondContact O-N 3.43Å; Q241-D243 VanDerWaalsContact C-N 3.34Å; D243-D246 PolarHBondContact O-N 3.21Å; D243-F247 WeakPolarHBondContact O-CB 3.25Å; D243-F247 PolarHBondContact O-N 3.48Å |
| 244 | A | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.7 | -36 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | L232 F233 V240 Q241 F247 I248 | L232-A244 HydrophobicContact CB-CB 3.65Å; L232-A244 HydrophobicContact CD1-CB 4.23Å; F233-A244 HydrophobicContact CD1-CB 4.05Å; F233-A244 HydrophobicContact CE1-CB 3.88Å; V240-A244 WeakPolarHBondContact O-CB 3.04Å; V240-A244 PolarHBondContact O-N 3.19Å; Q241-A244 PolarHBondContact O-N 2.82Å; A244-F247 PolarHBondContact O-N 3.44Å; A244-I248 PolarHBondContact O-N 3Å; A244-I248 VanDerWaalsContact O-N 3.16Å |
| 245 | L | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 171.5 | -76.3 | 176.2 | 0 | 0 | 0 | 111.7 | F233 Q241 R242 F247 I248 L249 I292 L300 R303 | F233-L245 HydrophobicContact CD1-CD2 4.39Å; F233-L245 HydrophobicContact CE1-CD2 4.08Å; F233-L245 HydrophobicContact CE1-CG 4.44Å; Q241-L245 WeakPolarHBondContact O-CB 3.46Å; Q241-L245 WeakPolarHBondContact O-CG 3.41Å; Q241-L245 PolarHBondContact O-N 2.84Å; R242-L245 WeakPolarHBondContact O-CB 3.48Å; R242-L245 PolarHBondContact O-N 3.17Å; L245-F247 PolarHBondContact O-N 2.91Å; L245-I248 HydrophobicContact CD2-CD1 3.87Å; L245-I248 HydrophobicContact CD2-CG1 4.48Å; L245-I248 VanDerWaalsContact O-CG1 3.29Å; L245-I248 WeakPolarHBondContact O-CG1 3.5Å; L245-I248 PolarHBondContact O-N 3.17Å; L245-L249 WeakPolarHBondContact O-CB 3.47Å; L245-L249 WeakPolarHBondContact O-CD1 3.23Å; L245-L249 WeakPolarHBondContact O-CG 3.49Å; L245-L249 PolarHBondContact O-N 3.13Å; L245-I292 HydrophobicContact CD1-CD1 3.76Å; L245-I292 HydrophobicContact CD1-CG2 4.48Å; L245-I292 HydrophobicContact CD2-CD1 3.82Å; L245-I292 HydrophobicContact CG-CD1 3.83Å; L245-L300 HydrophobicContact CD1-CB 4.01Å; L245-L300 HydrophobicContact CD1-CD2 4.12Å; L245-L300 WeakPolarHBondContact CD1-O 3.4Å; L245-R303 HydrophobicContact CB-CB 4.04Å; L245-R303 HydrophobicContact CD1-CB 3.79Å; L245-R303 HydrophobicContact CG-CB 4.45Å |
| 246 | D | 92.1 | Very high | 89.1 | Confident | 39 Ų | 39 | 24 Ų | 24 | 21% | 0.209 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -30.2 | 175.5 | -73.9 | -25.7 | 0 | 0 | 0 | 111.4 | L202 R242 D243 L250 R303 | L202-D246 HydrophobicContact CD1-CB 4.22Å; R242-D246 PolarHBondContact O-N 3.12Å; D243-D246 PolarHBondContact O-N 3.21Å; D246-L250 WeakPolarHBondContact O-CD1 3.45Å; D246-L250 VanDerWaalsContact O-CG 3.27Å; D246-L250 WeakPolarHBondContact O-CG 3.12Å; D246-L250 PolarHBondContact O-N 2.9Å; D246-R303 VanDerWaalsContact CG-NE 3.25Å; D246-R303 IonicContact OD1-CZ 3.22Å; D246-R303 IonicContact OD1-NE 2.68Å; D246-R303 PolarHBondContact OD1-NE 3.42Å; D246-R303 IonicContact OD1-NH2 3.67Å; D246-R303 PolarHBondContact OD1-NH2 2.77Å; D246-R303 IonicContact OD2-CZ 2.8Å; D246-R303 IonicContact OD2-NE 3.15Å; D246-R303 PolarHBondContact OD2-NE 2.94Å; D246-R303 IonicContact OD2-NH2 3.78Å; D246-R303 PolarHBondContact OD2-NH2 3.43Å |
| 247 | F | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.8 | -50.4 | 170.9 | -179.1 | -95.9 | 0 | 0 | 0 | 112.5 | W184 I198 I201 L202 L205 I217 Y218 L225 L229 D243 A244 L245 L249 L250 A251 L252 | W184-F247 AromaticContact CH2-CD1 3.98Å; W184-F247 HydrophobicContact CH2-CD1 3.98Å; W184-F247 HydrophobicContact CH2-CD2 4.31Å; W184-F247 AromaticContact CH2-CE1 3.72Å; W184-F247 HydrophobicContact CH2-CE1 3.72Å; W184-F247 HydrophobicContact CH2-CE2 4.06Å; W184-F247 HydrophobicContact CH2-CG 4.27Å; W184-F247 AromaticContact CH2-CZ 3.76Å; W184-F247 HydrophobicContact CH2-CZ 3.76Å; W184-F247 AromaticContact CZ2-CE1 3.96Å; W184-F247 HydrophobicContact CZ2-CE1 3.96Å; W184-F247 AromaticContact CZ2-CE2 3.95Å; W184-F247 HydrophobicContact CZ2-CE2 3.95Å; W184-F247 AromaticContact CZ2-CZ 3.58Å; W184-F247 HydrophobicContact CZ2-CZ 3.58Å; I198-F247 HydrophobicContact CD1-CB 4.35Å; I201-F247 HydrophobicContact CG2-CD2 3.61Å; I201-F247 HydrophobicContact CG2-CE2 3.53Å; L202-F247 HydrophobicContact CD2-CB 3.92Å; L202-F247 HydrophobicContact CD2-CD2 4.39Å; L205-F247 HydrophobicContact CD2-CD2 4.42Å; I217-F247 HydrophobicContact CG2-CE2 4.1Å; Y218-F247 HydrophobicContact CD1-CZ 4.36Å; Y218-F247 HydrophobicContact CE1-CZ 4.1Å; L225-F247 HydrophobicContact CD1-CE1 4.39Å; L229-F247 HydrophobicContact CD1-CD1 4.41Å; L229-F247 HydrophobicContact CD1-CE1 4.23Å; L229-F247 HydrophobicContact CD2-CD1 3.77Å; L229-F247 HydrophobicContact CD2-CE1 4.26Å; D243-F247 WeakPolarHBondContact O-CB 3.25Å; D243-F247 PolarHBondContact O-N 3.48Å; A244-F247 PolarHBondContact O-N 3.44Å; L245-F247 PolarHBondContact O-N 2.91Å; F247-L249 VanDerWaalsContact C-N 3.29Å; F247-L249 PolarHBondContact O-N 3.48Å; F247-L250 PolarHBondContact O-N 2.75Å; F247-A251 HydrophobicContact CD2-CB 4.27Å; F247-A251 HydrophobicContact CE1-CB 4.22Å; F247-A251 HydrophobicContact CE2-CB 3.91Å; F247-A251 HydrophobicContact CZ-CB 3.88Å; F247-A251 WeakPolarHBondContact O-CB 3.44Å; F247-A251 PolarHBondContact O-N 3.24Å; F247-L252 HydrophobicContact CE1-CD1 4.04Å; F247-L252 HydrophobicContact CE1-CG 4.41Å |
| 248 | I | 90.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68 | -29.9 | 179.8 | 68.1 | 179.1 | 0 | 0 | 0 | 112.8 | L229 F233 A244 L245 L250 L252 W307 | L229-I248 HydrophobicContact CD1-CG2 4.39Å; L229-I248 HydrophobicContact CD2-CG2 4.34Å; F233-I248 HydrophobicContact CE1-CD1 4.07Å; F233-I248 HydrophobicContact CE1-CG2 4.48Å; F233-I248 HydrophobicContact CZ-CD1 3.77Å; F233-I248 HydrophobicContact CZ-CG2 3.81Å; A244-I248 PolarHBondContact O-N 3Å; A244-I248 VanDerWaalsContact O-N 3.16Å; L245-I248 HydrophobicContact CD2-CD1 3.87Å; L245-I248 HydrophobicContact CD2-CG1 4.48Å; L245-I248 VanDerWaalsContact O-CG1 3.29Å; L245-I248 WeakPolarHBondContact O-CG1 3.5Å; L245-I248 PolarHBondContact O-N 3.17Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L252 HydrophobicContact CB-CB 4.24Å; I248-L252 HydrophobicContact CG2-CB 4.38Å; I248-L252 HydrophobicContact CG2-CD1 4.3Å; I248-L252 CarbonylContact O-C 3.6Å; I248-L252 WeakPolarHBondContact O-CA 3.4Å; I248-L252 PolarHBondContact O-N 2.95Å; I248-W307 HydrophobicContact CD1-CD2 3.52Å; I248-W307 HydrophobicContact CD1-CE3 3.84Å; I248-W307 HydrophobicContact CD1-CG 3.88Å; I248-W307 HydrophobicContact CD1-CH2 4.29Å; I248-W307 HydrophobicContact CD1-CZ2 4.01Å; I248-W307 HydrophobicContact CD1-CZ3 4.21Å; I248-W307 HydrophobicContact CG1-CD2 4.17Å; I248-W307 HydrophobicContact CG1-CG 4.1Å |
| 249 | L | 89 | Confident | 86.5 | Confident | 20 Ų | 20 | 25.7 Ų | 25.7 | 11% | 0.105 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 174.3 | -74.9 | 168.4 | 0 | 0 | 0 | 112.5 | L245 F247 R303 V306 W307 Q312 | L245-L249 WeakPolarHBondContact O-CB 3.47Å; L245-L249 WeakPolarHBondContact O-CD1 3.23Å; L245-L249 WeakPolarHBondContact O-CG 3.49Å; L245-L249 PolarHBondContact O-N 3.13Å; F247-L249 VanDerWaalsContact C-N 3.29Å; F247-L249 PolarHBondContact O-N 3.48Å; L249-R303 HydrophobicContact CD1-CB 3.88Å; L249-R303 HydrophobicContact CD1-CG 3.85Å; L249-V306 HydrophobicContact CD2-CB 4.28Å; L249-V306 HydrophobicContact CD2-CG1 3.82Å; L249-W307 HydrophobicContact CD2-CB 3.73Å; L249-W307 HydrophobicContact CG-CB 4.47Å; L249-Q312 HydrophobicContact CB-CG 4.27Å; L249-Q312 HydrophobicContact CD2-CG 3.4Å; L249-Q312 VanDerWaalsContact CD2-CG 3.4Å; L249-Q312 HydrophobicContact CG-CG 4.47Å |
| 250 | L | 84.5 | Confident | 84.8 | Confident | 58 Ų | 58 | 27.2 Ų | 27.2 | 30% | 0.304 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -87.5 | -38.2 | 179.4 | -67.6 | 169 | 0 | 0 | 0 | 113 | L202 L205 K207 D246 F247 I248 | L202-L250 HydrophobicContact CD2-CD1 4.38Å; L205-L250 HydrophobicContact CD2-CB 3.86Å; L205-L250 HydrophobicContact CD2-CD1 4.15Å; K207-L250 HydrophobicContact CD-CD2 4.15Å; K207-L250 HydrophobicContact CG-CD2 4.32Å; D246-L250 WeakPolarHBondContact O-CD1 3.45Å; D246-L250 VanDerWaalsContact O-CG 3.27Å; D246-L250 WeakPolarHBondContact O-CG 3.12Å; D246-L250 PolarHBondContact O-N 2.9Å; F247-L250 PolarHBondContact O-N 2.75Å; I248-L250 VanDerWaalsContact C-N 3.34Å |
| 251 | A | 83.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -119.8 | -12.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L205 L211 Y218 F247 | L205-A251 HydrophobicContact CD2-CB 4.15Å; L211-A251 HydrophobicContact CD2-CB 4.07Å; Y218-A251 HydrophobicContact CE1-CB 4.38Å; Y218-A251 PolarHBondContact OH-O 3Å; F247-A251 HydrophobicContact CD2-CB 4.27Å; F247-A251 HydrophobicContact CE1-CB 4.22Å; F247-A251 HydrophobicContact CE2-CB 3.91Å; F247-A251 HydrophobicContact CZ-CB 3.88Å; F247-A251 WeakPolarHBondContact O-CB 3.44Å; F247-A251 PolarHBondContact O-N 3.24Å |
| 252 | L | 86.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | trans | -140.1 | 51.6 | 178.9 | -64 | 174.3 | 0 | 0 | 0 | 114.2 | Y218 L229 F247 I248 L277 L285 W307 | Y218-L252 HydrophobicContact CE1-CD2 3.98Å; Y218-L252 HydrophobicContact CE1-CG 4.36Å; L229-L252 HydrophobicContact CD1-CD1 3.62Å; F247-L252 HydrophobicContact CE1-CD1 4.04Å; F247-L252 HydrophobicContact CE1-CG 4.41Å; I248-L252 HydrophobicContact CB-CB 4.24Å; I248-L252 HydrophobicContact CG2-CB 4.38Å; I248-L252 HydrophobicContact CG2-CD1 4.3Å; I248-L252 CarbonylContact O-C 3.6Å; I248-L252 WeakPolarHBondContact O-CA 3.4Å; I248-L252 PolarHBondContact O-N 2.95Å; L252-L277 HydrophobicContact CD2-CD1 3.55Å; L252-L285 HydrophobicContact CD1-CD1 4.39Å; L252-W307 PolarHBondContact O-NE1 2.86Å | ||
| 253 | P | 85.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -42.7 | 137.1 | 162 | -32.2 | 31.1 | 0 | 0 | 0 | 114.5 | H255 F256 W334 | P253-H255 PolarHBondContact O-N 3.03Å; P253-F256 HydrophobicContact CB-CD1 4.34Å; P253-F256 HydrophobicContact CB-CE1 3.84Å; P253-F256 HydrophobicContact CB-CE2 4.05Å; P253-F256 HydrophobicContact CB-CZ 3.67Å; P253-F256 HydrophobicContact CG-CE1 4.15Å; P253-F256 HydrophobicContact CG-CE2 3.93Å; P253-F256 HydrophobicContact CG-CZ 3.52Å; P253-F256 WeakPolarHBondContact O-CD2 3.41Å; P253-F256 VanDerWaalsContact O-CG 3.27Å; P253-F256 WeakPolarHBondContact O-CG 3.39Å; P253-F256 PolarHBondContact O-N 2.92Å; P253-W334 HydrophobicContact CB-CG 4.49Å; P253-W334 HydrophobicContact CG-CG 4.33Å | ||
| 254 | I | 85.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -58.5 | -41.5 | -168.2 | -66.2 | 175.7 | 0 | 0 | 0 | 113.3 | F256 Y257 W307 L308 S366 I369 | I254-F256 PolarHBondContact O-N 3.18Å; I254-Y257 HydrophobicContact CG2-CE1 4.36Å; I254-Y257 WeakPolarHBondContact O-CD1 3.47Å; I254-W307 HydrophobicContact CD1-CD2 3.77Å; I254-W307 HydrophobicContact CD1-CE3 3.84Å; I254-W307 HydrophobicContact CD1-CG 4.31Å; I254-W307 HydrophobicContact CD1-CH2 4.32Å; I254-W307 HydrophobicContact CD1-CZ2 4.25Å; I254-W307 HydrophobicContact CD1-CZ3 4.12Å; I254-W307 HydrophobicContact CG1-CD2 3.76Å; I254-W307 VanDerWaalsContact CG1-CE2 3.41Å; I254-W307 HydrophobicContact CG1-CE3 4.21Å; I254-W307 HydrophobicContact CG1-CG 4.29Å; I254-W307 HydrophobicContact CG1-CH2 4.1Å; I254-W307 HydrophobicContact CG1-CZ2 3.61Å; I254-W307 HydrophobicContact CG1-CZ3 4.37Å; I254-L308 HydrophobicContact CD1-CD2 3.95Å; I254-S366 WeakPolarHBondContact CD1-OG 3.39Å; I254-I369 HydrophobicContact CG2-CD1 3.72Å |
| 255 | H | 82.9 | Confident | 72.7 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -61.9 | -11.8 | -172.7 | 65.7 | -86.5 | 0 | 0 | 0 | 115 | P253 Y257 S258 W334 Y361 Y365 | P253-H255 PolarHBondContact O-N 3.03Å; H255-Y257 PolarHBondContact O-N 3.12Å; H255-Y257 VanDerWaalsContact O-N 3.12Å; H255-S258 WeakPolarHBondContact O-CB 3.34Å; H255-S258 PolarHBondContact O-N 3.08Å; H255-W334 AromaticContact CE1-CD2 3.92Å; H255-W334 AromaticContact CE1-CE3 3.71Å; H255-W334 AromaticContact NE2-CE3 4Å; H255-Y361 HydrophobicContact CB-CE2 3.87Å; H255-Y361 AromaticContact CG-CE2 3.91Å; H255-Y361 PolarHBondContact N-OH 3.37Å; H255-Y361 AromaticContact ND1-CE2 3.5Å; H255-Y361 WeakPolarHBondContact ND1-CE2 3.38Å; H255-Y361 AromaticContact ND1-CZ 3.67Å; H255-Y361 PolarHBondContact ND1-OH 3.18Å; H255-Y365 HydrophobicContact CB-CD1 3.57Å; H255-Y365 HydrophobicContact CB-CD2 4.05Å; H255-Y365 HydrophobicContact CB-CE1 3.87Å; H255-Y365 HydrophobicContact CB-CE2 4.34Å; H255-Y365 HydrophobicContact CB-CG 3.66Å |
| 256 | F | 80 | Confident | 70.1 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -62.4 | -16.1 | -178.7 | -62.4 | -13.2 | 0 | 0 | 0 | 115.1 | P253 I254 S258 F269 F282 W334 | P253-F256 HydrophobicContact CB-CD1 4.34Å; P253-F256 HydrophobicContact CB-CE1 3.84Å; P253-F256 HydrophobicContact CB-CE2 4.05Å; P253-F256 HydrophobicContact CB-CZ 3.67Å; P253-F256 HydrophobicContact CG-CE1 4.15Å; P253-F256 HydrophobicContact CG-CE2 3.93Å; P253-F256 HydrophobicContact CG-CZ 3.52Å; P253-F256 WeakPolarHBondContact O-CD2 3.41Å; P253-F256 VanDerWaalsContact O-CG 3.27Å; P253-F256 WeakPolarHBondContact O-CG 3.39Å; P253-F256 PolarHBondContact O-N 2.92Å; I254-F256 PolarHBondContact O-N 3.18Å; F256-S258 PolarHBondContact O-N 3.49Å; F256-F269 HydrophobicContact CB-CD2 4.3Å; F256-F269 AromaticContact CD1-CD2 3.91Å; F256-F269 HydrophobicContact CD1-CD2 3.91Å; F256-F269 AromaticContact CD1-CE2 3.83Å; F256-F269 HydrophobicContact CD1-CE2 3.83Å; F256-F269 HydrophobicContact CD2-CD1 4.14Å; F256-F269 AromaticContact CD2-CD2 3.49Å; F256-F269 HydrophobicContact CD2-CD2 3.49Å; F256-F269 VanDerWaalsContact CD2-CD2 3.49Å; F256-F269 HydrophobicContact CD2-CE1 4.16Å; F256-F269 AromaticContact CD2-CE2 3.55Å; F256-F269 HydrophobicContact CD2-CE2 3.55Å; F256-F269 AromaticContact CD2-CG 3.83Å; F256-F269 HydrophobicContact CD2-CG 3.83Å; F256-F269 AromaticContact CD2-CZ 3.89Å; F256-F269 HydrophobicContact CD2-CZ 3.89Å; F256-F269 HydrophobicContact CE1-CD2 4.04Å; F256-F269 AromaticContact CE1-CE2 3.46Å; F256-F269 HydrophobicContact CE1-CE2 3.46Å; F256-F269 VanDerWaalsContact CE1-CE2 3.46Å; F256-F269 HydrophobicContact CE1-CZ 4.16Å; F256-F269 HydrophobicContact CE2-CD1 4.11Å; F256-F269 AromaticContact CE2-CD2 3.63Å; F256-F269 HydrophobicContact CE2-CD2 3.63Å; F256-F269 AromaticContact CE2-CE1 3.65Å; F256-F269 HydrophobicContact CE2-CE1 3.65Å; F256-F269 AromaticContact CE2-CE2 3.13Å; F256-F269 HydrophobicContact CE2-CE2 3.13Å; F256-F269 HydrophobicContact CE2-CG 4.11Å; F256-F269 AromaticContact CE2-CZ 3.15Å; F256-F269 HydrophobicContact CE2-CZ 3.15Å; F256-F269 AromaticContact CG-CD2 3.65Å; F256-F269 HydrophobicContact CG-CD2 3.65Å; F256-F269 AromaticContact CG-CE2 3.88Å; F256-F269 HydrophobicContact CG-CE2 3.88Å; F256-F269 HydrophobicContact CG-CG 4.28Å; F256-F269 AromaticContact CZ-CD2 3.92Å; F256-F269 HydrophobicContact CZ-CD2 3.92Å; F256-F269 HydrophobicContact CZ-CE1 4.28Å; F256-F269 AromaticContact CZ-CE2 3.1Å; F256-F269 HydrophobicContact CZ-CE2 3.1Å; F256-F269 AromaticContact CZ-CZ 3.33Å; F256-F269 HydrophobicContact CZ-CZ 3.33Å; F256-F282 HydrophobicContact CB-CE2 4.34Å; F256-F282 HydrophobicContact CB-CZ 4.03Å; F256-W334 HydrophobicContact CZ-CZ2 4.46Å |
| 257 | Y | 78.1 | Confident | 67.9 | Low | 41 Ų | 41 | 49.8 Ų | 49.8 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -66.9 | -22.9 | 170.7 | 77.1 | -98.1 | 0 | 0 | 0 | 112.8 | I254 H255 V279 Y365 I369 | I254-Y257 HydrophobicContact CG2-CE1 4.36Å; I254-Y257 WeakPolarHBondContact O-CD1 3.47Å; H255-Y257 PolarHBondContact O-N 3.12Å; H255-Y257 VanDerWaalsContact O-N 3.12Å; Y257-V279 HydrophobicContact CD2-CG2 3.47Å; Y257-V279 VanDerWaalsContact CD2-CG2 3.47Å; Y257-V279 HydrophobicContact CE2-CG2 3.98Å; Y257-V279 HydrophobicContact CG-CG2 4.09Å; Y257-Y365 HydrophobicContact CE1-CD1 4.39Å; Y257-Y365 WeakPolarHBondContact CE1-O 3.27Å; Y257-Y365 WeakPolarHBondContact OH-CA 3.35Å; Y257-Y365 PolarHBondContact OH-O 3.06Å; Y257-I369 HydrophobicContact CD1-CD1 3.33Å; Y257-I369 HydrophobicContact CE1-CD1 3.31Å; Y257-I369 HydrophobicContact CE1-CG1 4.41Å; Y257-I369 HydrophobicContact CG-CD1 4.24Å |
| 258 | S | 71.5 | Confident | 65.7 | Low | 11 Ų | 11 | 52 Ų | 52 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | trans | -82.7 | 130.1 | -166.7 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | H255 F256 I260 | H255-S258 WeakPolarHBondContact O-CB 3.34Å; H255-S258 PolarHBondContact O-N 3.08Å; F256-S258 PolarHBondContact O-N 3.49Å; S258-I260 PolarHBondContact O-N 3.26Å; S258-I260 PolarHBondContact OG-N 3.05Å | ||
| 259 | K | 62.1 | Low | 63.8 | Low | 170 Ų | 170 | 53 Ų | 53 | 74% | 0.739 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -72.1 | -13.6 | 170.1 | -61.7 | -179 | -178.2 | 179.1 | 0 | 112.9 | E627 | K259-E627 IonicContact NZ-OE2 3.12Å; K259-E627 PolarHBondContact NZ-OE2 3.39Å |
| 260 | I | 53.7 | Low | 61.8 | Low | 105 Ų | 105 | 58 Ų | 58 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | trans | -85.4 | -22.7 | -161.9 | -60.2 | 173.7 | 0 | 0 | 0 | 112.7 | S258 P262 I626 | S258-I260 PolarHBondContact O-N 3.26Å; S258-I260 PolarHBondContact OG-N 3.05Å; I260-P262 VanDerWaalsContact O-CD 3.25Å; I260-P262 WeakPolarHBondContact O-CD 3.48Å; I260-P262 VanDerWaalsContact O-N 3.07Å; I260-I626 HydrophobicContact CD1-CD1 3.98Å; I260-I626 HydrophobicContact CD1-CG1 4.16Å | ||
| 261 | T | 51.4 | Low | 60 | Low | 29 Ų | 29 | 60.9 Ų | 60.9 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | trans | -56.8 | 111.4 | -176 | -46 | 0 | 0 | 0 | 0 | 111.2 | T263 | T261-T263 HydrophobicContact CG2-CG2 4.17Å; T261-T263 PolarHBondContact O-N 3.08Å | ||
| 262 | P | 43.1 | Very low | 58.5 | Low | 81 Ų | 81 | 61.1 Ų | 61.1 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | trans | -82.9 | 32 | -168.7 | 35.3 | -37 | 0 | 0 | 0 | 112.7 | I260 T264 K341 | I260-P262 VanDerWaalsContact O-CD 3.25Å; I260-P262 WeakPolarHBondContact O-CD 3.48Å; I260-P262 VanDerWaalsContact O-N 3.07Å; P262-T264 PolarHBondContact O-N 2.71Å; P262-K341 WeakPolarHBondContact CG-O 3.29Å | ||
| 263 | T | 45.1 | Very low | 56.8 | Low | 49 Ų | 49 | 64.5 Ų | 64.5 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | trans | -73.4 | 82.7 | 169.1 | 49.3 | 0 | 0 | 0 | 0 | 109.1 | T261 E265 K341 | T261-T263 HydrophobicContact CG2-CG2 4.17Å; T261-T263 PolarHBondContact O-N 3.08Å; T263-E265 PolarHBondContact O-N 3.36Å; T263-K341 HydrophobicContact CG2-CD 4.05Å | ||
| 264 | T | 35 | Very low | 55.2 | Low | 131 Ų | 131 | 69.1 Ų | 69.1 | 80% | 0.804 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -48.2 | 133.6 | 154 | 47.1 | 0 | 0 | 0 | 0 | 108.6 | P262 | P262-T264 PolarHBondContact O-N 2.71Š|
| 265 | E | 40 | Very low | 54 | Low | 179 Ų | 179 | 74.3 Ų | 74.3 | 84% | 0.836 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 70.4 | 102.9 | -163.1 | -52.3 | -169.8 | 178.1 | 0 | 0 | 113.9 | T263 | T263-E265 PolarHBondContact O-N 3.36Š|
| 266 | C | 39.8 | Very low | 53.3 | Low | 84 Ų | 84 | 77.3 Ų | 77.3 | 57% | 0.568 | 42% | 0.418 | S | S | * | . | trans | 53.4 | 96.9 | 168.9 | -59.2 | 0 | 0 | 0 | 0 | 116.9 | P268 | C266-P268 WeakPolarHBondContact O-CD 3.36Š| ||
| 267 | N | 45.2 | Very low | 53.2 | Low | 60 Ų | 60 | 77 Ų | 77 | 32% | 0.321 | 42% | 0.418 | S | S | . | . | trans | -66.8 | 109.2 | 136.8 | -179.4 | -23.3 | 0 | 0 | 0 | 106.4 | F269 Q270 | N267-F269 PolarHBondContact O-N 2.65Å; N267-F269 PolarHBondContact OD1-N 3.36Å; N267-Q270 PolarHBondContact O-N 2.94Å | ||
| 268 | P | 46 | Very low | 53.4 | Low | 48 Ų | 48 | 77.7 Ų | 77.7 | 31% | 0.312 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -7.3 | -166.2 | -20.7 | 33.1 | 0 | 0 | 0 | 115 | N212 C266 | N212-P268 HydrophobicContact CB-CB 4.32Å; C266-P268 WeakPolarHBondContact O-CD 3.36Å |
| 269 | F | 50.7 | Low | 54 | Low | 21 Ų | 21 | 80.1 Ų | 80.1 | 9% | 0.092 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 13.3 | -168.1 | -49.7 | -76.7 | 0 | 0 | 0 | 113.3 | L211 Y218 F256 N267 F271 | L211-F269 HydrophobicContact CB-CE1 4.29Å; L211-F269 HydrophobicContact CB-CZ 4.37Å; L211-F269 HydrophobicContact CD2-CE1 3.68Å; L211-F269 HydrophobicContact CD2-CZ 3.95Å; L211-F269 HydrophobicContact CG-CE1 3.86Å; L211-F269 HydrophobicContact CG-CZ 4.33Å; Y218-F269 HydrophobicContact CE2-CD1 4.37Å; Y218-F269 VanDerWaalsContact OH-CE1 3.31Å; Y218-F269 WeakPolarHBondContact OH-CE1 3.4Å; F256-F269 HydrophobicContact CB-CD2 4.3Å; F256-F269 AromaticContact CD1-CD2 3.91Å; F256-F269 HydrophobicContact CD1-CD2 3.91Å; F256-F269 AromaticContact CD1-CE2 3.83Å; F256-F269 HydrophobicContact CD1-CE2 3.83Å; F256-F269 HydrophobicContact CD2-CD1 4.14Å; F256-F269 AromaticContact CD2-CD2 3.49Å; F256-F269 HydrophobicContact CD2-CD2 3.49Å; F256-F269 VanDerWaalsContact CD2-CD2 3.49Å; F256-F269 HydrophobicContact CD2-CE1 4.16Å; F256-F269 AromaticContact CD2-CE2 3.55Å; F256-F269 HydrophobicContact CD2-CE2 3.55Å; F256-F269 AromaticContact CD2-CG 3.83Å; F256-F269 HydrophobicContact CD2-CG 3.83Å; F256-F269 AromaticContact CD2-CZ 3.89Å; F256-F269 HydrophobicContact CD2-CZ 3.89Å; F256-F269 HydrophobicContact CE1-CD2 4.04Å; F256-F269 AromaticContact CE1-CE2 3.46Å; F256-F269 HydrophobicContact CE1-CE2 3.46Å; F256-F269 VanDerWaalsContact CE1-CE2 3.46Å; F256-F269 HydrophobicContact CE1-CZ 4.16Å; F256-F269 HydrophobicContact CE2-CD1 4.11Å; F256-F269 AromaticContact CE2-CD2 3.63Å; F256-F269 HydrophobicContact CE2-CD2 3.63Å; F256-F269 AromaticContact CE2-CE1 3.65Å; F256-F269 HydrophobicContact CE2-CE1 3.65Å; F256-F269 AromaticContact CE2-CE2 3.13Å; F256-F269 HydrophobicContact CE2-CE2 3.13Å; F256-F269 HydrophobicContact CE2-CG 4.11Å; F256-F269 AromaticContact CE2-CZ 3.15Å; F256-F269 HydrophobicContact CE2-CZ 3.15Å; F256-F269 AromaticContact CG-CD2 3.65Å; F256-F269 HydrophobicContact CG-CD2 3.65Å; F256-F269 AromaticContact CG-CE2 3.88Å; F256-F269 HydrophobicContact CG-CE2 3.88Å; F256-F269 HydrophobicContact CG-CG 4.28Å; F256-F269 AromaticContact CZ-CD2 3.92Å; F256-F269 HydrophobicContact CZ-CD2 3.92Å; F256-F269 HydrophobicContact CZ-CE1 4.28Å; F256-F269 AromaticContact CZ-CE2 3.1Å; F256-F269 HydrophobicContact CZ-CE2 3.1Å; F256-F269 AromaticContact CZ-CZ 3.33Å; F256-F269 HydrophobicContact CZ-CZ 3.33Å; N267-F269 PolarHBondContact O-N 2.65Å; N267-F269 PolarHBondContact OD1-N 3.36Å; F269-F271 PolarHBondContact O-N 3Å; F269-F271 VanDerWaalsContact O-N 3.14Å |
| 270 | Q | 47.3 | Very low | 55.2 | Low | 124 Ų | 124 | 75.7 Ų | 75.7 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18 | 177.9 | -167.7 | 170.6 | 18.5 | 0 | 0 | 113.2 | N267 | N267-Q270 PolarHBondContact O-N 2.94Š|
| 271 | F | 47.7 | Very low | 56.8 | Low | 118 Ų | 118 | 71.1 Ų | 71.1 | 52% | 0.518 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | 59.5 | -175.5 | -60.4 | -81.2 | 0 | 0 | 0 | 114.2 | F269 T273 | F269-F271 PolarHBondContact O-N 3Å; F269-F271 VanDerWaalsContact O-N 3.14Å; F271-T273 VanDerWaalsContact C-N 3.26Å; F271-T273 PolarHBondContact O-N 3.25Å |
| 272 | I | 52.6 | Low | 58.7 | Low | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -78.3 | 90.1 | 141.7 | -55.9 | -178.3 | 0 | 0 | 0 | 106.1 | Y218 K222 L225 S274 Q275 L277 | Y218-I272 HydrophobicContact CD1-CD1 3.99Å; Y218-I272 HydrophobicContact CD2-CD1 4.2Å; Y218-I272 HydrophobicContact CD2-CG1 4.01Å; Y218-I272 HydrophobicContact CG-CD1 3.78Å; Y218-I272 HydrophobicContact CG-CG1 3.96Å; K222-I272 HydrophobicContact CB-CG2 3.82Å; L225-I272 HydrophobicContact CD2-CD1 3.91Å; I272-S274 PolarHBondContact O-N 3.38Å; I272-Q275 PolarHBondContact O-N 2.95Å; I272-L277 HydrophobicContact CD1-CD1 4.04Å; I272-L277 HydrophobicContact CD1-CG 4.15Å |
| 273 | T | 49 | Very low | 60.9 | Low | 73 Ų | 73 | 66 Ų | 66 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 48.7 | 179.1 | -39.3 | 0 | 0 | 0 | 0 | 113.6 | L220 F271 Q275 | L220-T273 WeakPolarHBondContact CA-OG1 3.46Å; L220-T273 WeakPolarHBondContact O-CB 3.48Å; L220-T273 WeakPolarHBondContact O-CG2 3.36Å; L220-T273 PolarHBondContact O-OG1 3.18Å; F271-T273 VanDerWaalsContact C-N 3.26Å; F271-T273 PolarHBondContact O-N 3.25Å; T273-Q275 PolarHBondContact O-N 3.25Å; T273-Q275 VanDerWaalsContact O-N 3.17Å |
| 274 | S | 52 | Low | 63.1 | Low | 96 Ų | 96 | 67 Ų | 67 | 67% | 0.671 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 21.3 | -178.8 | -50.9 | 0 | 0 | 0 | 0 | 115.4 | I272 | I272-S274 PolarHBondContact O-N 3.38Š|
| 275 | Q | 60.8 | Low | 65.8 | Low | 109 Ų | 109 | 60.7 Ų | 60.7 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -133.6 | 136.3 | 174 | -58.6 | -173.7 | 19.1 | 0 | 0 | 110.8 | K222 I272 T273 | K222-Q275 HydrophobicContact CD-CB 4.17Å; I272-Q275 PolarHBondContact O-N 2.95Å; T273-Q275 PolarHBondContact O-N 3.25Å; T273-Q275 VanDerWaalsContact O-N 3.17Å |
| 276 | S | 67.7 | Low | 68.4 | Low | 71 Ų | 71 | 52.2 Ų | 52.2 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 157.2 | 166.6 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | K222 | K222-S276 PolarHBondContact NZ-O 2.89Š|
| 277 | L | 77.8 | Confident | 70.9 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 133.8 | 162.2 | -72.7 | 168.8 | 0 | 0 | 0 | 109 | K222 V226 L252 I272 D281 F282 | K222-L277 HydrophobicContact CB-CD2 4.24Å; V226-L277 HydrophobicContact CG2-CD2 3.72Å; L252-L277 HydrophobicContact CD2-CD1 3.55Å; I272-L277 HydrophobicContact CD1-CD1 4.04Å; I272-L277 HydrophobicContact CD1-CG 4.15Å; L277-D281 HydrophobicContact CD2-CB 4.11Å; L277-F282 HydrophobicContact CB-CD2 4.09Å; L277-F282 HydrophobicContact CB-CE2 3.68Å; L277-F282 HydrophobicContact CD1-CE2 4.14Å; L277-F282 HydrophobicContact CD1-CZ 4.3Å |
| 278 | T | 83 | Confident | 73.1 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -92.6 | 165.9 | -176.1 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | K280 D281 F282 | T278-K280 PolarHBondContact O-N 3.42Å; T278-K280 VanDerWaalsContact O-N 3.17Å; T278-K280 WeakPolarHBondContact OG1-CB 3.46Å; T278-K280 PolarHBondContact OG1-N 3.37Å; T278-D281 WeakPolarHBondContact CB-OD2 3.39Å; T278-D281 PolarHBondContact N-OD2 3.45Å; T278-D281 PolarHBondContact O-N 2.86Å; T278-D281 VanDerWaalsContact OG1-CG 3.26Å; T278-D281 PolarHBondContact OG1-N 3.5Å; T278-D281 PolarHBondContact OG1-OD2 3.42Å; T278-F282 PolarHBondContact O-N 3.29Å |
| 279 | V | 84.8 | Confident | 75.3 | Confident | 61 Ų | 61 | 43.6 Ų | 43.6 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -49.3 | -39.6 | 167.5 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | Y257 D281 A283 I369 | Y257-V279 HydrophobicContact CD2-CG2 3.47Å; Y257-V279 VanDerWaalsContact CD2-CG2 3.47Å; Y257-V279 HydrophobicContact CE2-CG2 3.98Å; Y257-V279 HydrophobicContact CG-CG2 4.09Å; V279-D281 VanDerWaalsContact C-N 3.33Å; V279-D281 PolarHBondContact O-N 3.01Å; V279-A283 VanDerWaalsContact O-CB 3.23Å; V279-A283 WeakPolarHBondContact O-CB 3.41Å; V279-A283 PolarHBondContact O-N 3.45Å; V279-I369 HydrophobicContact CG1-CG1 4.23Å |
| 280 | K | 86 | Confident | 77.3 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 34% | 0.335 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 179.1 | -175.1 | 178.8 | -173.2 | 171.7 | 0 | 112.2 | T278 K284 R376 W631 | T278-K280 PolarHBondContact O-N 3.42Å; T278-K280 VanDerWaalsContact O-N 3.17Å; T278-K280 WeakPolarHBondContact OG1-CB 3.46Å; T278-K280 PolarHBondContact OG1-N 3.37Å; K280-K284 WeakPolarHBondContact O-CG 3.43Å; K280-K284 PolarHBondContact O-N 2.92Å; K280-R376 PolarHBondContact O-NH1 3.08Å; K280-W631 HydrophobicContact CD-CD2 4.41Å; K280-W631 HydrophobicContact CD-CE3 3.69Å; K280-W631 HydrophobicContact CD-CZ3 3.87Å; K280-W631 VanDerWaalsContact NZ-CZ3 3.27Å |
| 281 | D | 88.5 | Confident | 79.3 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.4 | -43.7 | -179.2 | -57.8 | -50.2 | 0 | 0 | 0 | 111.5 | V226 L277 T278 V279 A283 K284 L285 | V226-D281 HydrophobicContact CG2-CB 4.2Å; L277-D281 HydrophobicContact CD2-CB 4.11Å; T278-D281 WeakPolarHBondContact CB-OD2 3.39Å; T278-D281 PolarHBondContact N-OD2 3.45Å; T278-D281 PolarHBondContact O-N 2.86Å; T278-D281 VanDerWaalsContact OG1-CG 3.26Å; T278-D281 PolarHBondContact OG1-N 3.5Å; T278-D281 PolarHBondContact OG1-OD2 3.42Å; V279-D281 VanDerWaalsContact C-N 3.33Å; V279-D281 PolarHBondContact O-N 3.01Å; D281-A283 VanDerWaalsContact C-N 3.3Å; D281-A283 PolarHBondContact O-N 2.75Å; D281-K284 WeakPolarHBondContact O-CB 3.28Å; D281-K284 PolarHBondContact O-N 2.89Å; D281-K284 VanDerWaalsContact O-N 3.15Å; D281-K284 IonicContact OD1-NZ 3.16Å; D281-L285 WeakPolarHBondContact O-CG 3.1Å; D281-L285 PolarHBondContact O-N 3.21Å |
| 282 | F | 90.4 | Very high | 81.3 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 170.3 | -85 | -83.8 | 0 | 0 | 0 | 112.4 | F256 L277 T278 L285 C286 W307 I369 | F256-F282 HydrophobicContact CB-CE2 4.34Å; F256-F282 HydrophobicContact CB-CZ 4.03Å; L277-F282 HydrophobicContact CB-CD2 4.09Å; L277-F282 HydrophobicContact CB-CE2 3.68Å; L277-F282 HydrophobicContact CD1-CE2 4.14Å; L277-F282 HydrophobicContact CD1-CZ 4.3Å; T278-F282 PolarHBondContact O-N 3.29Å; F282-L285 PolarHBondContact O-N 3.1Å; F282-C286 VanDerWaalsContact O-CB 3.25Å; F282-C286 WeakPolarHBondContact O-CB 3.31Å; F282-C286 PolarHBondContact O-N 3.41Å; F282-W307 HydrophobicContact CD1-CZ2 4.13Å; F282-W307 HydrophobicContact CE1-CZ2 4.35Å; F282-I369 HydrophobicContact CB-CD1 3.78Å |
| 283 | A | 90.6 | Very high | 83 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.2 | -32.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | V279 D281 T287 E372 R376 | V279-A283 VanDerWaalsContact O-CB 3.23Å; V279-A283 WeakPolarHBondContact O-CB 3.41Å; V279-A283 PolarHBondContact O-N 3.45Å; D281-A283 VanDerWaalsContact C-N 3.3Å; D281-A283 PolarHBondContact O-N 2.75Å; A283-T287 WeakPolarHBondContact O-CB 3.42Å; A283-T287 PolarHBondContact O-N 2.93Å; A283-T287 PolarHBondContact O-OG1 3.25Å; A283-E372 HydrophobicContact CB-CG 4.11Å; A283-R376 VanDerWaalsContact CB-NH1 3.33Å |
| 284 | K | 90 | Very high | 84.7 | Confident | 70 Ų | 70 | 29.9 Ų | 29.9 | 30% | 0.304 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.4 | -52.4 | 168 | -73 | 172.5 | 178.9 | 171.9 | 0 | 111 | V226 K280 D281 C286 T287 A288 | V226-K284 HydrophobicContact CG1-CB 4.19Å; V226-K284 HydrophobicContact CG1-CD 3.83Å; K280-K284 WeakPolarHBondContact O-CG 3.43Å; K280-K284 PolarHBondContact O-N 2.92Å; D281-K284 WeakPolarHBondContact O-CB 3.28Å; D281-K284 PolarHBondContact O-N 2.89Å; D281-K284 VanDerWaalsContact O-N 3.15Å; D281-K284 IonicContact OD1-NZ 3.16Å; K284-C286 VanDerWaalsContact C-N 3.31Å; K284-C286 PolarHBondContact O-N 2.9Å; K284-T287 WeakPolarHBondContact O-CB 3.16Å; K284-T287 PolarHBondContact O-N 2.71Å; K284-T287 VanDerWaalsContact O-N 3.14Å; K284-A288 PolarHBondContact O-N 2.79Å |
| 285 | L | 92.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.7 | -46.1 | 179.4 | -70.4 | 173.6 | 0 | 0 | 0 | 111.1 | V226 L229 F233 L252 D281 F282 A288 S289 W307 | V226-L285 HydrophobicContact CG1-CD2 4.15Å; V226-L285 HydrophobicContact CG1-CG 4.22Å; V226-L285 HydrophobicContact CG2-CD1 4.49Å; L229-L285 HydrophobicContact CB-CD2 3.53Å; L229-L285 HydrophobicContact CD1-CD2 3.94Å; L229-L285 HydrophobicContact CG-CD2 4.4Å; F233-L285 HydrophobicContact CE2-CD2 4.17Å; L252-L285 HydrophobicContact CD1-CD1 4.39Å; D281-L285 WeakPolarHBondContact O-CG 3.1Å; D281-L285 PolarHBondContact O-N 3.21Å; F282-L285 PolarHBondContact O-N 3.1Å; L285-A288 PolarHBondContact O-N 3.08Å; L285-S289 VanDerWaalsContact O-CB 3.31Å; L285-S289 WeakPolarHBondContact O-CB 3.29Å; L285-S289 PolarHBondContact O-N 3.4Å; L285-S289 PolarHBondContact O-OG 3.47Å; L285-W307 HydrophobicContact CB-CH2 4.37Å |
| 286 | C | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58 | -52.5 | 174.1 | -172.8 | 0 | 0 | 0 | 0 | 111 | F282 K284 A288 S289 L290 W307 I369 A373 | F282-C286 VanDerWaalsContact O-CB 3.25Å; F282-C286 WeakPolarHBondContact O-CB 3.31Å; F282-C286 PolarHBondContact O-N 3.41Å; K284-C286 VanDerWaalsContact C-N 3.31Å; K284-C286 PolarHBondContact O-N 2.9Å; C286-A288 VanDerWaalsContact C-N 3.32Å; C286-A288 PolarHBondContact O-N 3.5Å; C286-S289 WeakPolarHBondContact CA-OG 3.33Å; C286-S289 PolarHBondContact O-N 3.14Å; C286-S289 PolarHBondContact O-OG 2.61Å; C286-L290 WeakPolarHBondContact O-CG 3.19Å; C286-L290 PolarHBondContact O-N 2.92Å; C286-W307 HydrophobicContact CB-CH2 4.45Å; C286-W307 HydrophobicContact CB-CZ3 4.31Å; C286-I369 HydrophobicContact CB-CG2 3.71Å; C286-A373 HydrophobicContact CB-CB 3.84Å |
| 287 | T | 92.1 | Very high | 88.1 | Confident | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -53.7 | -46.5 | 178.1 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | A283 K284 L290 A373 C383 L384 | A283-T287 WeakPolarHBondContact O-CB 3.42Å; A283-T287 PolarHBondContact O-N 2.93Å; A283-T287 PolarHBondContact O-OG1 3.25Å; K284-T287 WeakPolarHBondContact O-CB 3.16Å; K284-T287 PolarHBondContact O-N 2.71Å; K284-T287 VanDerWaalsContact O-N 3.14Å; T287-L290 PolarHBondContact O-N 2.73Å; T287-A373 WeakPolarHBondContact OG1-CA 3.49Å; T287-A373 WeakPolarHBondContact OG1-CB 3.28Å; T287-C383 WeakPolarHBondContact CG2-SG 3.35Å; T287-L384 VanDerWaalsContact O-CD2 3.26Å; T287-L384 WeakPolarHBondContact O-CD2 3.46Å |
| 288 | A | 91.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C230 F233 K284 L285 C286 L290 S291 P385 | C230-A288 HydrophobicContact CB-CB 3.69Å; C230-A288 VanDerWaalsContact SG-CB 3.59Å; F233-A288 HydrophobicContact CD2-CB 4.04Å; K284-A288 PolarHBondContact O-N 2.79Å; L285-A288 PolarHBondContact O-N 3.08Å; C286-A288 VanDerWaalsContact C-N 3.32Å; C286-A288 PolarHBondContact O-N 3.5Å; A288-L290 VanDerWaalsContact C-N 3.28Å; A288-L290 PolarHBondContact O-N 3.07Å; A288-S291 VanDerWaalsContact O-CB 3.28Å; A288-S291 WeakPolarHBondContact O-CB 3.45Å; A288-S291 PolarHBondContact O-N 2.84Å; A288-S291 VanDerWaalsContact O-N 3.13Å; A288-S291 PolarHBondContact O-OG 2.94Å; A288-P385 HydrophobicContact CB-CG 4.31Å |
| 289 | S | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -29 | 177.8 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | L285 C286 S291 I292 L304 | L285-S289 VanDerWaalsContact O-CB 3.31Å; L285-S289 WeakPolarHBondContact O-CB 3.29Å; L285-S289 PolarHBondContact O-N 3.4Å; L285-S289 PolarHBondContact O-OG 3.47Å; C286-S289 WeakPolarHBondContact CA-OG 3.33Å; C286-S289 PolarHBondContact O-N 3.14Å; C286-S289 PolarHBondContact O-OG 2.61Å; S289-S291 PolarHBondContact O-N 3.02Å; S289-S291 VanDerWaalsContact O-N 3.16Å; S289-I292 VanDerWaalsContact O-CB 3.22Å; S289-I292 WeakPolarHBondContact O-CB 3.49Å; S289-I292 WeakPolarHBondContact O-CD1 3.28Å; S289-I292 WeakPolarHBondContact O-CG1 3.31Å; S289-I292 PolarHBondContact O-N 2.94Å; S289-L304 WeakPolarHBondContact OG-CD1 3.43Å |
| 290 | L | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -62.1 | -20.9 | 174.6 | -68.3 | 174.2 | 0 | 0 | 0 | 113.1 | C286 T287 A288 I292 L293 L370 A373 V374 L377 I423 L427 | C286-L290 WeakPolarHBondContact O-CG 3.19Å; C286-L290 PolarHBondContact O-N 2.92Å; T287-L290 PolarHBondContact O-N 2.73Å; A288-L290 VanDerWaalsContact C-N 3.28Å; A288-L290 PolarHBondContact O-N 3.07Å; L290-I292 PolarHBondContact O-N 3.24Å; L290-I292 VanDerWaalsContact O-N 3.16Å; L290-L293 HydrophobicContact CD2-CD1 3.8Å; L290-L293 PolarHBondContact O-N 3.26Å; L290-L370 HydrophobicContact CD1-CD1 4.33Å; L290-L370 HydrophobicContact CD2-CD1 3.96Å; L290-A373 HydrophobicContact CD1-CB 4.29Å; L290-V374 HydrophobicContact CD1-CG2 3.68Å; L290-L377 HydrophobicContact CD1-CD2 4.46Å; L290-I423 HydrophobicContact CB-CD1 4.22Å; L290-I423 HydrophobicContact CB-CG2 4.08Å; L290-I423 HydrophobicContact CD1-CG2 4.27Å; L290-I423 HydrophobicContact CD2-CG2 4.19Å; L290-I423 HydrophobicContact CG-CG2 4.42Å; L290-I423 WeakPolarHBondContact O-CD1 3.4Å; L290-I423 WeakPolarHBondContact O-CG1 3.38Å; L290-L427 HydrophobicContact CD2-CD1 4.07Å; L290-L427 HydrophobicContact CD2-CD2 4Å; L290-L427 HydrophobicContact CD2-CG 4.44Å |
| 291 | S | 89.1 | Confident | 89.7 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -58.6 | -25.4 | 172.9 | 67.7 | 0 | 0 | 0 | 0 | 113.1 | F233 A288 S289 L293 L294 | F233-S291 PolarHBondContact O-OG 3.33Å; A288-S291 VanDerWaalsContact O-CB 3.28Å; A288-S291 WeakPolarHBondContact O-CB 3.45Å; A288-S291 PolarHBondContact O-N 2.84Å; A288-S291 VanDerWaalsContact O-N 3.13Å; A288-S291 PolarHBondContact O-OG 2.94Å; S289-S291 PolarHBondContact O-N 3.02Å; S289-S291 VanDerWaalsContact O-N 3.16Å; S291-L293 VanDerWaalsContact C-N 3.32Å; S291-L293 PolarHBondContact O-N 3.3Å; S291-L294 VanDerWaalsContact O-CB 3.31Å; S291-L294 WeakPolarHBondContact O-CB 3.3Å; S291-L294 PolarHBondContact O-N 2.75Å |
| 292 | I | 89.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -64.3 | -36.2 | 179 | -66.8 | 163.8 | 0 | 0 | 0 | 111.4 | F233 L245 S289 L290 L294 R295 L300 | F233-I292 HydrophobicContact CB-CD1 4.11Å; F233-I292 HydrophobicContact CB-CG1 4.46Å; F233-I292 HydrophobicContact CD1-CD1 3.89Å; F233-I292 HydrophobicContact CG-CD1 4.26Å; L245-I292 HydrophobicContact CD1-CD1 3.76Å; L245-I292 HydrophobicContact CD1-CG2 4.48Å; L245-I292 HydrophobicContact CD2-CD1 3.82Å; L245-I292 HydrophobicContact CG-CD1 3.83Å; S289-I292 VanDerWaalsContact O-CB 3.22Å; S289-I292 WeakPolarHBondContact O-CB 3.49Å; S289-I292 WeakPolarHBondContact O-CD1 3.28Å; S289-I292 WeakPolarHBondContact O-CG1 3.31Å; S289-I292 PolarHBondContact O-N 2.94Å; L290-I292 PolarHBondContact O-N 3.24Å; L290-I292 VanDerWaalsContact O-N 3.16Å; I292-L294 PolarHBondContact O-N 3.48Å; I292-L294 VanDerWaalsContact O-N 3.15Å; I292-R295 WeakPolarHBondContact O-CB 3.42Å; I292-R295 PolarHBondContact O-N 2.92Å; I292-L300 HydrophobicContact CG2-CB 3.44Å; I292-L300 VanDerWaalsContact CG2-CB 3.44Å; I292-L300 HydrophobicContact CG2-CD1 4.03Å; I292-L300 HydrophobicContact CG2-CG 4.37Å |
| 293 | L | 88.8 | Confident | 90 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -60.6 | -27.4 | 178.5 | -63.6 | 171.6 | 0 | 0 | 0 | 112.1 | L290 S291 R295 R296 N301 L304 F305 I423 L427 | L290-L293 HydrophobicContact CD2-CD1 3.8Å; L290-L293 PolarHBondContact O-N 3.26Å; S291-L293 VanDerWaalsContact C-N 3.32Å; S291-L293 PolarHBondContact O-N 3.3Å; L293-R295 PolarHBondContact O-N 3.15Å; L293-R296 PolarHBondContact O-N 3.5Å; L293-N301 HydrophobicContact CD2-CB 4.39Å; L293-L304 HydrophobicContact CD1-CD2 4.23Å; L293-L304 HydrophobicContact CD2-CD2 4.03Å; L293-L304 HydrophobicContact CG-CD2 3.88Å; L293-F305 HydrophobicContact CD2-CE2 3.94Å; L293-F305 HydrophobicContact CD2-CZ 3.9Å; L293-I423 HydrophobicContact CB-CG1 4.31Å; L293-I423 HydrophobicContact CD1-CG2 4.15Å; L293-L427 HydrophobicContact CD1-CD2 3.77Å; L293-L427 HydrophobicContact CD1-CG 3.94Å |
| 294 | L | 85.5 | Confident | 90.1 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -65.5 | -18.2 | 175.1 | -60.2 | 175.8 | 0 | 0 | 0 | 113.4 | S291 I292 L384 R419 R422 I423 | S291-L294 VanDerWaalsContact O-CB 3.31Å; S291-L294 WeakPolarHBondContact O-CB 3.3Å; S291-L294 PolarHBondContact O-N 2.75Å; I292-L294 PolarHBondContact O-N 3.48Å; I292-L294 VanDerWaalsContact O-N 3.15Å; L294-L384 HydrophobicContact CD1-CD1 4.01Å; L294-R419 HydrophobicContact CD1-CB 4.42Å; L294-R419 HydrophobicContact CD1-CG 4.23Å; L294-R422 HydrophobicContact CD2-CB 3.62Å; L294-I423 HydrophobicContact CD1-CD1 4.26Å; L294-I423 HydrophobicContact CD2-CD1 4.11Å; L294-I423 HydrophobicContact CD2-CG1 3.82Å; L294-I423 HydrophobicContact CG-CD1 4.01Å; L294-I423 HydrophobicContact CG-CG1 3.99Å |
| 295 | R | 81.7 | Confident | 90.2 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -84.3 | -19.9 | 175.6 | -69.7 | -175.8 | 156.3 | -145.9 | -23.9 | 113.7 | D235 S236 Q241 I292 L293 D297 | D235-R295 VanDerWaalsContact O-CZ 3.3Å; D235-R295 PolarHBondContact O-NH1 3.17Å; D235-R295 PolarHBondContact O-NH2 2.82Å; S236-R295 VanDerWaalsContact C-NH2 3.35Å; S236-R295 PolarHBondContact O-NH1 2.77Å; S236-R295 PolarHBondContact O-NH2 2.96Å; Q241-R295 VanDerWaalsContact CD-NH1 3.31Å; I292-R295 WeakPolarHBondContact O-CB 3.42Å; I292-R295 PolarHBondContact O-N 2.92Å; L293-R295 PolarHBondContact O-N 3.15Å; R295-D297 PolarHBondContact O-N 2.83Å |
| 296 | R | 82.3 | Confident | 90.1 | Very high | 197 Ų | 197 | 41.8 Ų | 41.8 | 74% | 0.743 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 24.8 | -176.3 | -56.4 | 175.3 | 167.7 | -176.9 | -9.3 | 114.5 | L293 A298 | L293-R296 PolarHBondContact O-N 3.5Å; R296-A298 PolarHBondContact O-N 3.21Å |
| 297 | D | 88.1 | Confident | 90.1 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | trans | -79.3 | 115.3 | 176 | -174.7 | -68.5 | 0 | 0 | 0 | 110.5 | L238 R295 S299 L300 N301 | L238-D297 HydrophobicContact CD2-CB 4.49Å; R295-D297 PolarHBondContact O-N 2.83Å; D297-S299 VanDerWaalsContact C-N 3.25Å; D297-S299 PolarHBondContact O-N 3.41Å; D297-S299 VanDerWaalsContact OD1-CA 3.31Å; D297-S299 WeakPolarHBondContact OD1-CA 3.47Å; D297-S299 VanDerWaalsContact OD1-CB 3.27Å; D297-S299 WeakPolarHBondContact OD1-CB 3.49Å; D297-S299 PolarHBondContact OD1-N 3.29Å; D297-S299 PolarHBondContact OD1-OG 3.02Å; D297-L300 HydrophobicContact CB-CB 4.2Å; D297-L300 HydrophobicContact CB-CD1 4Å; D297-L300 HydrophobicContact CB-CG 4.01Å; D297-L300 PolarHBondContact O-N 3.43Å; D297-L300 PolarHBondContact OD1-N 3.06Å; D297-N301 WeakPolarHBondContact O-CB 3.46Å; D297-N301 PolarHBondContact O-N 2.95Å; D297-N301 PolarHBondContact O-OD1 3.45Å | ||
| 298 | A | 88.9 | Confident | 90 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 67% | 0.669 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.8 | -28.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R296 R302 | R296-A298 PolarHBondContact O-N 3.21Å; A298-R302 VanDerWaalsContact O-CB 3.26Å; A298-R302 WeakPolarHBondContact O-CB 3.28Å; A298-R302 PolarHBondContact O-N 3.42Å |
| 299 | S | 91.7 | Very high | 89.9 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -78.9 | -29.6 | -178.6 | 83.2 | 0 | 0 | 0 | 0 | 112.9 | D297 R303 | D297-S299 VanDerWaalsContact C-N 3.25Å; D297-S299 PolarHBondContact O-N 3.41Å; D297-S299 VanDerWaalsContact OD1-CA 3.31Å; D297-S299 WeakPolarHBondContact OD1-CA 3.47Å; D297-S299 VanDerWaalsContact OD1-CB 3.27Å; D297-S299 WeakPolarHBondContact OD1-CB 3.49Å; D297-S299 PolarHBondContact OD1-N 3.29Å; D297-S299 PolarHBondContact OD1-OG 3.02Å; S299-R303 WeakPolarHBondContact O-CD 3.48Å; S299-R303 WeakPolarHBondContact O-CG 3.34Å; S299-R303 PolarHBondContact O-NH1 3.25Å |
| 300 | L | 91.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81.7 | -43.7 | 171.4 | -57 | -178.7 | 0 | 0 | 0 | 111 | L238 Q241 R242 L245 I292 D297 R302 R303 L304 | L238-L300 HydrophobicContact CD2-CD1 3.77Å; Q241-L300 HydrophobicContact CB-CD1 4.05Å; Q241-L300 HydrophobicContact CB-CD2 4.41Å; R242-L300 VanDerWaalsContact CA-CD2 3.46Å; R242-L300 HydrophobicContact CB-CD2 3.67Å; R242-L300 HydrophobicContact CG-CD2 4.24Å; L245-L300 HydrophobicContact CD1-CB 4.01Å; L245-L300 HydrophobicContact CD1-CD2 4.12Å; L245-L300 WeakPolarHBondContact CD1-O 3.4Å; I292-L300 HydrophobicContact CG2-CB 3.44Å; I292-L300 VanDerWaalsContact CG2-CB 3.44Å; I292-L300 HydrophobicContact CG2-CD1 4.03Å; I292-L300 HydrophobicContact CG2-CG 4.37Å; D297-L300 HydrophobicContact CB-CB 4.2Å; D297-L300 HydrophobicContact CB-CD1 4Å; D297-L300 HydrophobicContact CB-CG 4.01Å; D297-L300 PolarHBondContact O-N 3.43Å; D297-L300 PolarHBondContact OD1-N 3.06Å; L300-R302 VanDerWaalsContact C-N 3.34Å; L300-R302 PolarHBondContact O-N 2.83Å; L300-R303 WeakPolarHBondContact O-CB 3.46Å; L300-R303 PolarHBondContact O-N 3.45Å; L300-R303 VanDerWaalsContact O-N 3.12Å; L300-L304 PolarHBondContact O-N 3.26Å |
| 301 | N | 91.7 | Very high | 89 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.1 | -47 | 175.9 | -71.3 | 9.7 | 0 | 0 | 0 | 111 | L293 D297 R303 L304 F305 | L293-N301 HydrophobicContact CD2-CB 4.39Å; D297-N301 WeakPolarHBondContact O-CB 3.46Å; D297-N301 PolarHBondContact O-N 2.95Å; D297-N301 PolarHBondContact O-OD1 3.45Å; N301-R303 VanDerWaalsContact C-N 3.29Å; N301-R303 PolarHBondContact O-N 3.09Å; N301-L304 PolarHBondContact O-N 2.85Å; N301-F305 HydrophobicContact CB-CD2 4.48Å; N301-F305 HydrophobicContact CB-CE2 4.28Å; N301-F305 WeakPolarHBondContact O-CD2 3.43Å; N301-F305 PolarHBondContact O-N 3.46Å |
| 302 | R | 91.3 | Very high | 88.6 | Confident | 196 Ų | 196 | 44.5 Ų | 44.5 | 74% | 0.74 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -55.4 | -42.9 | 175.8 | 180 | 176.1 | 175.7 | 176.4 | -0.8 | 112.2 | A298 L300 F305 V306 | A298-R302 VanDerWaalsContact O-CB 3.26Å; A298-R302 WeakPolarHBondContact O-CB 3.28Å; A298-R302 PolarHBondContact O-N 3.42Å; L300-R302 VanDerWaalsContact C-N 3.34Å; L300-R302 PolarHBondContact O-N 2.83Å; R302-F305 PolarHBondContact O-N 3.04Å; R302-V306 HydrophobicContact CG-CG2 4.42Å; R302-V306 WeakPolarHBondContact O-CB 3.42Å; R302-V306 WeakPolarHBondContact O-CG2 3.44Å; R302-V306 PolarHBondContact O-N 3.44Å |
| 303 | R | 93.8 | Very high | 87.9 | Confident | 64 Ų | 64 | 48 Ų | 48 | 24% | 0.242 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 177.4 | -77.9 | 169.9 | 162.9 | 80.4 | 0.4 | 112 | L245 D246 L249 S299 L300 N301 F305 V306 W307 | L245-R303 HydrophobicContact CB-CB 4.04Å; L245-R303 HydrophobicContact CD1-CB 3.79Å; L245-R303 HydrophobicContact CG-CB 4.45Å; D246-R303 VanDerWaalsContact CG-NE 3.25Å; D246-R303 IonicContact OD1-CZ 3.22Å; D246-R303 IonicContact OD1-NE 2.68Å; D246-R303 PolarHBondContact OD1-NE 3.42Å; D246-R303 IonicContact OD1-NH2 3.67Å; D246-R303 PolarHBondContact OD1-NH2 2.77Å; D246-R303 IonicContact OD2-CZ 2.8Å; D246-R303 IonicContact OD2-NE 3.15Å; D246-R303 PolarHBondContact OD2-NE 2.94Å; D246-R303 IonicContact OD2-NH2 3.78Å; D246-R303 PolarHBondContact OD2-NH2 3.43Å; L249-R303 HydrophobicContact CD1-CB 3.88Å; L249-R303 HydrophobicContact CD1-CG 3.85Å; S299-R303 WeakPolarHBondContact O-CD 3.48Å; S299-R303 WeakPolarHBondContact O-CG 3.34Å; S299-R303 PolarHBondContact O-NH1 3.25Å; L300-R303 WeakPolarHBondContact O-CB 3.46Å; L300-R303 PolarHBondContact O-N 3.45Å; L300-R303 VanDerWaalsContact O-N 3.12Å; N301-R303 VanDerWaalsContact C-N 3.29Å; N301-R303 PolarHBondContact O-N 3.09Å; R303-F305 PolarHBondContact O-N 3.32Å; R303-V306 PolarHBondContact O-N 2.91Å; R303-W307 PolarHBondContact O-N 2.85Å |
| 304 | L | 92.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.9 | 178.7 | 58.4 | 0 | 0 | 0 | 111.7 | S289 L293 L300 N301 W307 L308 | S289-L304 WeakPolarHBondContact OG-CD1 3.43Å; L293-L304 HydrophobicContact CD1-CD2 4.23Å; L293-L304 HydrophobicContact CD2-CD2 4.03Å; L293-L304 HydrophobicContact CG-CD2 3.88Å; L300-L304 PolarHBondContact O-N 3.26Å; N301-L304 PolarHBondContact O-N 2.85Å; L304-W307 HydrophobicContact CD1-CE3 4.12Å; L304-W307 WeakPolarHBondContact O-CB 3.49Å; L304-W307 PolarHBondContact O-N 3.38Å; L304-L308 HydrophobicContact CD1-CD1 4.32Å; L304-L308 HydrophobicContact CD1-CG 4.46Å; L304-L308 HydrophobicContact CG-CD1 4.18Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.31Å |
| 305 | F | 91.5 | Very high | 85.6 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.2 | -32.9 | 177.3 | -67.9 | -59.7 | 0 | 0 | 0 | 113.6 | L293 N301 R302 R303 W307 L308 K309 G426 L427 H430 I433 | L293-F305 HydrophobicContact CD2-CE2 3.94Å; L293-F305 HydrophobicContact CD2-CZ 3.9Å; N301-F305 HydrophobicContact CB-CD2 4.48Å; N301-F305 HydrophobicContact CB-CE2 4.28Å; N301-F305 WeakPolarHBondContact O-CD2 3.43Å; N301-F305 PolarHBondContact O-N 3.46Å; R302-F305 PolarHBondContact O-N 3.04Å; R303-F305 PolarHBondContact O-N 3.32Å; F305-W307 VanDerWaalsContact C-N 3.34Å; F305-L308 HydrophobicContact CD1-CD1 3.97Å; F305-L308 HydrophobicContact CE1-CD1 4.16Å; F305-L308 PolarHBondContact O-N 3.14Å; F305-K309 WeakPolarHBondContact O-CB 3.31Å; F305-K309 WeakPolarHBondContact O-CG 3.46Å; F305-K309 PolarHBondContact O-N 2.95Å; F305-G426 VanDerWaalsContact CZ-O 3.27Å; F305-G426 WeakPolarHBondContact CZ-O 3.41Å; F305-L427 HydrophobicContact CE1-CD2 3.78Å; F305-L427 HydrophobicContact CZ-CD2 4.06Å; F305-H430 AromaticContact CD1-CD2 3.77Å; F305-H430 AromaticContact CD2-CD2 3.57Å; F305-H430 AromaticContact CD2-NE2 3.34Å; F305-H430 VanDerWaalsContact CD2-NE2 3.34Å; F305-H430 WeakPolarHBondContact CD2-NE2 3.19Å; F305-H430 AromaticContact CE1-CD2 3.67Å; F305-H430 AromaticContact CE2-CD2 3.47Å; F305-H430 VanDerWaalsContact CE2-CD2 3.47Å; F305-H430 WeakPolarHBondContact CE2-CD2 3.41Å; F305-H430 AromaticContact CE2-NE2 3.5Å; F305-H430 WeakPolarHBondContact CE2-NE2 3.26Å; F305-H430 AromaticContact CG-CD2 3.75Å; F305-H430 AromaticContact CG-NE2 3.82Å; F305-H430 AromaticContact CZ-CD2 3.54Å; F305-I433 HydrophobicContact CD1-CD1 3.58Å; F305-I433 HydrophobicContact CE1-CD1 3.85Å |
| 306 | V | 91.6 | Very high | 84.2 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 171.4 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | L249 R302 R303 G310 G311 Q312 | L249-V306 HydrophobicContact CD2-CB 4.28Å; L249-V306 HydrophobicContact CD2-CG1 3.82Å; R302-V306 HydrophobicContact CG-CG2 4.42Å; R302-V306 WeakPolarHBondContact O-CB 3.42Å; R302-V306 WeakPolarHBondContact O-CG2 3.44Å; R302-V306 PolarHBondContact O-N 3.44Å; R303-V306 PolarHBondContact O-N 2.91Å; V306-G310 PolarHBondContact O-N 2.92Å; V306-G311 PolarHBondContact O-N 2.68Å; V306-G311 VanDerWaalsContact O-N 3.11Å; V306-Q312 HydrophobicContact CG1-CG 4.2Å; V306-Q312 PolarHBondContact O-NE2 3.11Å |
| 307 | W | 92.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -50.8 | 172.1 | -174.5 | 62.9 | 0 | 0 | 0 | 111.3 | I248 L249 L252 I254 F282 L285 C286 R303 L304 F305 K309 G310 Q312 | I248-W307 HydrophobicContact CD1-CD2 3.52Å; I248-W307 HydrophobicContact CD1-CE3 3.84Å; I248-W307 HydrophobicContact CD1-CG 3.88Å; I248-W307 HydrophobicContact CD1-CH2 4.29Å; I248-W307 HydrophobicContact CD1-CZ2 4.01Å; I248-W307 HydrophobicContact CD1-CZ3 4.21Å; I248-W307 HydrophobicContact CG1-CD2 4.17Å; I248-W307 HydrophobicContact CG1-CG 4.1Å; L249-W307 HydrophobicContact CD2-CB 3.73Å; L249-W307 HydrophobicContact CG-CB 4.47Å; L252-W307 PolarHBondContact O-NE1 2.86Å; I254-W307 HydrophobicContact CD1-CD2 3.77Å; I254-W307 HydrophobicContact CD1-CE3 3.84Å; I254-W307 HydrophobicContact CD1-CG 4.31Å; I254-W307 HydrophobicContact CD1-CH2 4.32Å; I254-W307 HydrophobicContact CD1-CZ2 4.25Å; I254-W307 HydrophobicContact CD1-CZ3 4.12Å; I254-W307 HydrophobicContact CG1-CD2 3.76Å; I254-W307 VanDerWaalsContact CG1-CE2 3.41Å; I254-W307 HydrophobicContact CG1-CE3 4.21Å; I254-W307 HydrophobicContact CG1-CG 4.29Å; I254-W307 HydrophobicContact CG1-CH2 4.1Å; I254-W307 HydrophobicContact CG1-CZ2 3.61Å; I254-W307 HydrophobicContact CG1-CZ3 4.37Å; F282-W307 HydrophobicContact CD1-CZ2 4.13Å; F282-W307 HydrophobicContact CE1-CZ2 4.35Å; L285-W307 HydrophobicContact CB-CH2 4.37Å; C286-W307 HydrophobicContact CB-CH2 4.45Å; C286-W307 HydrophobicContact CB-CZ3 4.31Å; R303-W307 PolarHBondContact O-N 2.85Å; L304-W307 HydrophobicContact CD1-CE3 4.12Å; L304-W307 WeakPolarHBondContact O-CB 3.49Å; L304-W307 PolarHBondContact O-N 3.38Å; F305-W307 VanDerWaalsContact C-N 3.34Å; W307-K309 PolarHBondContact O-N 3.05Å; W307-G310 PolarHBondContact O-N 2.91Å; W307-Q312 PolarHBondContact O-NE2 3.37Å |
| 308 | L | 91.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 179.5 | -73.1 | 169.4 | 0 | 0 | 0 | 113.1 | I254 L304 F305 S366 L370 | I254-L308 HydrophobicContact CD1-CD2 3.95Å; L304-L308 HydrophobicContact CD1-CD1 4.32Å; L304-L308 HydrophobicContact CD1-CG 4.46Å; L304-L308 HydrophobicContact CG-CD1 4.18Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.31Å; F305-L308 HydrophobicContact CD1-CD1 3.97Å; F305-L308 HydrophobicContact CE1-CD1 4.16Å; F305-L308 PolarHBondContact O-N 3.14Å; L308-S366 WeakPolarHBondContact O-CB 3.29Å; L308-S366 PolarHBondContact O-OG 2.82Å; L308-L370 HydrophobicContact CD1-CD1 4.49Å; L308-L370 HydrophobicContact CD2-CD1 4.37Å |
| 309 | K | 88.4 | Confident | 78.4 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.6 | -176.3 | -66 | -168.6 | -177.9 | -176.2 | 0 | 115.3 | F305 W307 G311 S358 D432 | F305-K309 WeakPolarHBondContact O-CB 3.31Å; F305-K309 WeakPolarHBondContact O-CG 3.46Å; F305-K309 PolarHBondContact O-N 2.95Å; W307-K309 PolarHBondContact O-N 3.05Å; K309-G311 PolarHBondContact O-N 3.41Å; K309-G311 VanDerWaalsContact O-N 3.16Å; K309-S358 WeakPolarHBondContact O-CA 3.34Å; K309-S358 WeakPolarHBondContact O-CB 3.4Å; K309-D432 IonicContact NZ-OD2 3.99Å; K309-D432 PolarHBondContact NZ-OD2 3.28Å |
| 310 | G | 84.2 | Confident | 76 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 5.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V306 W307 Q312 W334 A335 | V306-G310 PolarHBondContact O-N 2.92Å; W307-G310 PolarHBondContact O-N 2.91Å; G310-Q312 PolarHBondContact O-N 3Å; G310-W334 PolarHBondContact O-N 3.28Å; G310-A335 PolarHBondContact O-N 3.12Å |
| 311 | G | 81.8 | Confident | 73.7 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | trans | -77.3 | 22.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V306 K309 | V306-G311 PolarHBondContact O-N 2.68Å; V306-G311 VanDerWaalsContact O-N 3.11Å; K309-G311 PolarHBondContact O-N 3.41Å; K309-G311 VanDerWaalsContact O-N 3.16Å | ||
| 312 | Q | 81.7 | Confident | 71.3 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 5% | 0.051 | 35% | 0.353 | C | S | . | . | trans | -77.5 | 128.9 | 177.1 | -41.6 | 91.3 | 62 | 0 | 0 | 109.4 | L249 V306 W307 G310 T333 W334 | L249-Q312 HydrophobicContact CB-CG 4.27Å; L249-Q312 HydrophobicContact CD2-CG 3.4Å; L249-Q312 VanDerWaalsContact CD2-CG 3.4Å; L249-Q312 HydrophobicContact CG-CG 4.47Å; V306-Q312 HydrophobicContact CG1-CG 4.2Å; V306-Q312 PolarHBondContact O-NE2 3.11Å; W307-Q312 PolarHBondContact O-NE2 3.37Å; G310-Q312 PolarHBondContact O-N 3Å; Q312-T333 CarbonylContact O-C 3.43Å; Q312-T333 WeakPolarHBondContact O-CA 3.38Å; Q312-W334 PolarHBondContact O-N 3.41Å; Q312-W334 VanDerWaalsContact OE1-CD1 3.26Å | ||
| 313 | S | 75.3 | Confident | 68.8 | Low | 74 Ų | 74 | 62.3 Ų | 62.3 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -72 | 126.2 | 178.5 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | E315 | S313-E315 PolarHBondContact O-N 3.46Å |
| 314 | V | 67.7 | Low | 66.1 | Low | 28 Ų | 28 | 65.6 Ų | 65.6 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | trans | -95 | 81.2 | -174.5 | -175 | 0 | 0 | 0 | 0 | 110.6 | G316 M317 V318 M332 W334 I337 | V314-G316 PolarHBondContact O-N 2.93Å; V314-M317 HydrophobicContact CG1-CB 3.72Å; V314-V318 HydrophobicContact CG1-CG2 4.31Å; V314-M332 PolarHBondContact N-O 3.14Å; V314-W334 HydrophobicContact CG2-CB 4.45Å; V314-W334 HydrophobicContact CG2-CD2 3.74Å; V314-W334 HydrophobicContact CG2-CE3 4.44Å; V314-W334 HydrophobicContact CG2-CG 3.71Å; V314-W334 HydrophobicContact CG2-CZ2 4.44Å; V314-I337 HydrophobicContact CB-CD1 3.75Å; V314-I337 HydrophobicContact CG1-CD1 3.99Å; V314-I337 HydrophobicContact CG2-CD1 3.78Å | ||
| 315 | E | 58.3 | Low | 63.4 | Low | 143 Ų | 143 | 74.5 Ų | 74.5 | 67% | 0.668 | 42% | 0.419 | S | S | * | . | trans | -71.6 | 88.1 | 178.8 | -67.9 | -172.3 | 148.8 | 0 | 0 | 112.2 | S313 | S313-E315 PolarHBondContact O-N 3.46Š| ||
| 316 | G | 51.6 | Low | 60.9 | Low | 63 Ų | 63 | 80 Ų | 80 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 87.9 | 15.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | V314 | V314-G316 PolarHBondContact O-N 2.93Š|
| 317 | M | 51.1 | Low | 58 | Low | 49 Ų | 49 | 81.9 Ų | 81.9 | 24% | 0.241 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -89.9 | -9.7 | -174.6 | -104 | -175.3 | -174.8 | 0 | 0 | 116.5 | K209 L211 V314 | K209-M317 WeakPolarHBondContact O-CE 3.38Å; L211-M317 HydrophobicContact CB-CE 4.06Å; L211-M317 HydrophobicContact CD2-CE 4.48Å; V314-M317 HydrophobicContact CG1-CB 3.72Å |
| 318 | V | 48.2 | Very low | 55.4 | Low | 58 Ų | 58 | 86.8 Ų | 86.8 | 35% | 0.352 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -145.8 | 51.8 | -169.5 | -157.3 | 0 | 0 | 0 | 0 | 113.3 | V314 | V314-V318 HydrophobicContact CG1-CG2 4.31Š|
| 319 | M | 37.4 | Very low | 53.1 | Low | 142 Ų | 142 | 93.4 Ų | 93.4 | 70% | 0.7 | 56% | 0.559 | S | S | * | * | trans | -131.7 | 8.5 | -177.2 | -102.9 | -67.2 | 175.8 | 0 | 0 | 116.9 | ||||
| 320 | D | 40.8 | Very low | 51.4 | Low | 167 Ų | 167 | 98.9 Ų | 98.9 | 89% | 0.893 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -94.5 | 8.4 | 173.7 | -73.1 | -19.2 | 0 | 0 | 0 | 113.3 | ||
| 321 | S | 44.7 | Very low | 50.1 | Low | 99 Ų | 99 | 103.9 Ų | 103.9 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -139.1 | 17.1 | -175.8 | 60.3 | 0 | 0 | 0 | 0 | 115.4 | ||
| 322 | L | 42.2 | Very low | 49.6 | Very low | 133 Ų | 133 | 106.9 Ų | 106.9 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -116.5 | 107 | 169.4 | -136.5 | 75.2 | 0 | 0 | 0 | 109.7 | N324 | L322-N324 PolarHBondContact O-N 3.35Š|
| 323 | D | 38.8 | Very low | 49.6 | Very low | 148 Ų | 148 | 107.6 Ų | 107.6 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -72.4 | 111.7 | -169.4 | -121 | -42.1 | 0 | 0 | 0 | 112.9 | Q325 | D323-Q325 PolarHBondContact O-N 2.99Å; D323-Q325 VanDerWaalsContact O-N 3.13Å | ||
| 324 | N | 36.3 | Very low | 49.9 | Very low | 134 Ų | 134 | 106 Ų | 106 | 72% | 0.717 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 40.3 | 58.1 | 146.3 | -69.6 | -71.1 | 0 | 0 | 0 | 118.4 | L322 | L322-N324 PolarHBondContact O-N 3.35Š|
| 325 | Q | 36.1 | Very low | 50.6 | Low | 186 Ų | 186 | 104.6 Ų | 104.6 | 87% | 0.869 | 61% | 0.607 | S | S | * | * | trans | -163.7 | 160.7 | 148.3 | -110.5 | 143.9 | 110.1 | 0 | 0 | 113.4 | D323 | D323-Q325 PolarHBondContact O-N 2.99Å; D323-Q325 VanDerWaalsContact O-N 3.13Å | ||
| 326 | V | 38.2 | Very low | 51.6 | Low | 132 Ų | 132 | 99.9 Ų | 99.9 | 80% | 0.8 | 59% | 0.587 | S | S | * | * | trans | 64.4 | 87.8 | -178.2 | -168.9 | 0 | 0 | 0 | 0 | 114.6 | V328 | V326-V328 HydrophobicContact CG1-CG2 4.16Å; V326-V328 PolarHBondContact O-N 3.24Å | ||
| 327 | G | 32.1 | Very low | 52.9 | Low | 85 Ų | 85 | 98 Ų | 98 | 88% | 0.876 | 56% | 0.562 | S | S | * | * | trans | -82.9 | 106.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 328 | V | 38.3 | Very low | 54.1 | Low | 103 Ų | 103 | 96.1 Ų | 96.1 | 62% | 0.624 | 55% | 0.553 | S | S | * | * | trans | -134.6 | 123.5 | 163.9 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | V326 Q330 | V326-V328 HydrophobicContact CG1-CG2 4.16Å; V326-V328 PolarHBondContact O-N 3.24Å; V328-Q330 HydrophobicContact CG1-CB 4.09Å; V328-Q330 PolarHBondContact O-N 3.04Å | ||
| 329 | S | 41.8 | Very low | 55.5 | Low | 139 Ų | 139 | 94 Ų | 94 | 97% | 0.972 | 54% | 0.539 | S | S | * | . | trans | -79.9 | 52.7 | -177.1 | -52.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 330 | Q | 51.9 | Low | 57.2 | Low | 156 Ų | 156 | 93.5 Ų | 93.5 | 73% | 0.729 | 54% | 0.539 | S | S | * | . | trans | -96.9 | 123.8 | -174.4 | -161.1 | 160.8 | 2.8 | 0 | 0 | 111.3 | V328 M332 | V328-Q330 HydrophobicContact CG1-CB 4.09Å; V328-Q330 PolarHBondContact O-N 3.04Å; Q330-M332 PolarHBondContact O-N 3.06Å | ||
| 331 | S | 59 | Low | 58.4 | Low | 106 Ų | 106 | 90.1 Ų | 90.1 | 74% | 0.741 | 52% | 0.517 | S | S | * | . | trans | -74.5 | 94.8 | -177.8 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 332 | M | 70.7 | Confident | 59.2 | Low | 89 Ų | 89 | 86.9 Ų | 86.9 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | trans | -69.7 | 150.2 | 177.1 | -61.5 | -178.6 | 78.4 | 0 | 0 | 112.5 | V314 Q330 D336 I337 | V314-M332 PolarHBondContact N-O 3.14Å; Q330-M332 PolarHBondContact O-N 3.06Å; M332-D336 HydrophobicContact CB-CB 4.48Å; M332-D336 HydrophobicContact CE-CB 4.04Å; M332-I337 HydrophobicContact CB-CD1 4.12Å; M332-I337 HydrophobicContact CB-CG1 4.02Å; M332-I337 HydrophobicContact CE-CG1 3.78Å; M332-I337 HydrophobicContact SD-CG1 4.15Å | ||
| 333 | T | 81.9 | Confident | 59.9 | Low | 25 Ų | 25 | 83.1 Ų | 83.1 | 15% | 0.153 | 49% | 0.486 | C | S | . | . | B | Isolated β-bridge | trans | -98.8 | 165.4 | 169.2 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | Q312 A335 D336 I337 | Q312-T333 CarbonylContact O-C 3.43Å; Q312-T333 WeakPolarHBondContact O-CA 3.38Å; T333-A335 PolarHBondContact O-N 2.84Å; T333-A335 PolarHBondContact OG1-N 2.89Å; T333-D336 WeakPolarHBondContact CB-OD2 3.33Å; T333-D336 PolarHBondContact N-OD2 3.12Å; T333-D336 PolarHBondContact O-N 3.14Å; T333-D336 VanDerWaalsContact O-N 3.1Å; T333-D336 PolarHBondContact OG1-N 3.13Å; T333-D336 PolarHBondContact OG1-OD2 3.5Å; T333-I337 WeakPolarHBondContact O-CG1 3.13Å; T333-I337 PolarHBondContact O-N 3.19Å |
| 334 | W | 80.3 | Confident | 60.5 | Low | 40 Ų | 40 | 81.3 Ų | 81.3 | 15% | 0.152 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -57.5 | -34.2 | 169.6 | -83.1 | 119.4 | 0 | 0 | 0 | 112.4 | P253 H255 F256 G310 Q312 V314 D336 I337 V338 | P253-W334 HydrophobicContact CB-CG 4.49Å; P253-W334 HydrophobicContact CG-CG 4.33Å; H255-W334 AromaticContact CE1-CD2 3.92Å; H255-W334 AromaticContact CE1-CE3 3.71Å; H255-W334 AromaticContact NE2-CE3 4Å; F256-W334 HydrophobicContact CZ-CZ2 4.46Å; G310-W334 PolarHBondContact O-N 3.28Å; Q312-W334 PolarHBondContact O-N 3.41Å; Q312-W334 VanDerWaalsContact OE1-CD1 3.26Å; V314-W334 HydrophobicContact CG2-CB 4.45Å; V314-W334 HydrophobicContact CG2-CD2 3.74Å; V314-W334 HydrophobicContact CG2-CE3 4.44Å; V314-W334 HydrophobicContact CG2-CG 3.71Å; V314-W334 HydrophobicContact CG2-CZ2 4.44Å; W334-D336 VanDerWaalsContact C-N 3.33Å; W334-D336 PolarHBondContact O-N 3.32Å; W334-I337 PolarHBondContact O-N 3.39Å; W334-V338 HydrophobicContact CE3-CG2 4.3Å; W334-V338 VanDerWaalsContact O-CB 3.3Å; W334-V338 WeakPolarHBondContact O-CB 3.3Å; W334-V338 VanDerWaalsContact O-CG2 3.23Å; W334-V338 WeakPolarHBondContact O-CG2 3.41Å; W334-V338 PolarHBondContact O-N 3.39Å |
| 335 | A | 82.2 | Confident | 61.1 | Low | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G310 T333 M339 Y361 | G310-A335 PolarHBondContact O-N 3.12Å; T333-A335 PolarHBondContact O-N 2.84Å; T333-A335 PolarHBondContact OG1-N 2.89Å; A335-M339 WeakPolarHBondContact O-CB 3.47Å; A335-M339 WeakPolarHBondContact O-CG 3.45Å; A335-M339 PolarHBondContact O-N 2.85Å; A335-Y361 HydrophobicContact CB-CD2 4.32Å; A335-Y361 HydrophobicContact CB-CG 4.09Å |
| 336 | D | 80.7 | Confident | 61.8 | Low | 44 Ų | 44 | 81.9 Ų | 81.9 | 24% | 0.235 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -67.3 | -49.1 | 178.2 | -52.6 | -58.7 | 0 | 0 | 0 | 111.4 | M332 T333 W334 V338 M339 D340 N357 | M332-D336 HydrophobicContact CB-CB 4.48Å; M332-D336 HydrophobicContact CE-CB 4.04Å; T333-D336 WeakPolarHBondContact CB-OD2 3.33Å; T333-D336 PolarHBondContact N-OD2 3.12Å; T333-D336 PolarHBondContact O-N 3.14Å; T333-D336 VanDerWaalsContact O-N 3.1Å; T333-D336 PolarHBondContact OG1-N 3.13Å; T333-D336 PolarHBondContact OG1-OD2 3.5Å; W334-D336 VanDerWaalsContact C-N 3.33Å; W334-D336 PolarHBondContact O-N 3.32Å; D336-V338 VanDerWaalsContact C-N 3.32Å; D336-V338 PolarHBondContact O-N 3.27Å; D336-M339 PolarHBondContact O-N 2.88Å; D336-D340 VanDerWaalsContact O-CB 3.28Å; D336-D340 WeakPolarHBondContact O-CB 3.47Å; D336-D340 PolarHBondContact O-N 3.17Å; D336-N357 PolarHBondContact OD1-ND2 3.19Å |
| 337 | I | 77.2 | Confident | 62.3 | Low | 24 Ų | 24 | 76.6 Ų | 76.6 | 12% | 0.123 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.1 | -35.3 | -177.1 | -65.3 | 167.1 | 0 | 0 | 0 | 112.3 | V314 M332 T333 W334 | V314-I337 HydrophobicContact CB-CD1 3.75Å; V314-I337 HydrophobicContact CG1-CD1 3.99Å; V314-I337 HydrophobicContact CG2-CD1 3.78Å; M332-I337 HydrophobicContact CB-CD1 4.12Å; M332-I337 HydrophobicContact CB-CG1 4.02Å; M332-I337 HydrophobicContact CE-CG1 3.78Å; M332-I337 HydrophobicContact SD-CG1 4.15Å; T333-I337 WeakPolarHBondContact O-CG1 3.13Å; T333-I337 PolarHBondContact O-N 3.19Å; W334-I337 PolarHBondContact O-N 3.39Å |
| 338 | V | 77.9 | Confident | 63 | Low | 8 Ų | 8 | 79.1 Ų | 79.1 | 5% | 0.048 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -79.2 | -44.9 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | W334 D336 D340 K341 V342 Y361 Y365 | W334-V338 HydrophobicContact CE3-CG2 4.3Å; W334-V338 VanDerWaalsContact O-CB 3.3Å; W334-V338 WeakPolarHBondContact O-CB 3.3Å; W334-V338 VanDerWaalsContact O-CG2 3.23Å; W334-V338 WeakPolarHBondContact O-CG2 3.41Å; W334-V338 PolarHBondContact O-N 3.39Å; D336-V338 VanDerWaalsContact C-N 3.32Å; D336-V338 PolarHBondContact O-N 3.27Å; V338-D340 PolarHBondContact O-N 3.28Å; V338-K341 PolarHBondContact O-N 2.94Å; V338-V342 PolarHBondContact O-N 3.2Å; V338-Y361 HydrophobicContact CB-CD2 4.39Å; V338-Y361 HydrophobicContact CG1-CD2 4.46Å; V338-Y361 HydrophobicContact CG2-CE2 4.5Å; V338-Y365 HydrophobicContact CG1-CE2 3.6Å; V338-Y365 WeakPolarHBondContact CG1-OH 3.42Å |
| 339 | M | 77.9 | Confident | 63.6 | Low | 15 Ų | 15 | 77.7 Ų | 77.7 | 7% | 0.074 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.2 | -33.5 | -177.3 | -68.8 | -53.9 | -45.1 | 0 | 0 | 113 | A335 D336 K341 V342 N357 R360 L364 | A335-M339 WeakPolarHBondContact O-CB 3.47Å; A335-M339 WeakPolarHBondContact O-CG 3.45Å; A335-M339 PolarHBondContact O-N 2.85Å; D336-M339 PolarHBondContact O-N 2.88Å; M339-K341 PolarHBondContact O-N 3.41Å; M339-V342 PolarHBondContact O-N 3.09Å; M339-N357 HydrophobicContact CB-CB 4.49Å; M339-N357 HydrophobicContact CG-CB 4.35Å; M339-R360 HydrophobicContact CE-CB 3.76Å; M339-R360 HydrophobicContact CG-CB 4.34Å; M339-R360 HydrophobicContact SD-CB 3.9Å; M339-L364 HydrophobicContact CE-CD1 3.81Å; M339-L364 HydrophobicContact SD-CD1 3.82Å |
| 340 | D | 72.1 | Confident | 64 | Low | 131 Ų | 131 | 75.5 Ų | 75.5 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.1 | 174.8 | -174.4 | 67.3 | 0 | 0 | 0 | 113 | D336 V338 | D336-D340 VanDerWaalsContact O-CB 3.28Å; D336-D340 WeakPolarHBondContact O-CB 3.47Å; D336-D340 PolarHBondContact O-N 3.17Å; V338-D340 PolarHBondContact O-N 3.28Å |
| 341 | K | 65.3 | Low | 63.4 | Low | 96 Ų | 96 | 75.8 Ų | 75.8 | 42% | 0.417 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4.4 | 179.8 | -63.4 | -172.2 | 179.8 | -172.5 | 0 | 114.4 | P262 T263 V338 M339 G343 | P262-K341 WeakPolarHBondContact CG-O 3.29Å; T263-K341 HydrophobicContact CG2-CD 4.05Å; V338-K341 PolarHBondContact O-N 2.94Å; M339-K341 PolarHBondContact O-N 3.41Å; K341-G343 PolarHBondContact O-N 3.48Å |
| 342 | V | 63.1 | Low | 62.7 | Low | 30 Ų | 30 | 72.6 Ų | 72.6 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -94.9 | 92.9 | 174.6 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | V338 M339 V347 | V338-V342 PolarHBondContact O-N 3.2Å; M339-V342 PolarHBondContact O-N 3.09Å; V342-V347 HydrophobicContact CG1-CG2 3.97Å |
| 343 | G | 55.5 | Low | 61.5 | Low | 54 Ų | 54 | 78.3 Ų | 78.3 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | trans | -59.5 | 142.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K341 K345 D346 | K341-G343 PolarHBondContact O-N 3.48Å; G343-K345 PolarHBondContact O-N 2.73Å; G343-D346 PolarHBondContact O-N 3.24Å | ||
| 344 | D | 51.9 | Low | 60.2 | Low | 110 Ų | 110 | 86.1 Ų | 86.1 | 59% | 0.588 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -48.1 | -22.6 | -167.2 | -79.6 | -53 | 0 | 0 | 0 | 117.3 | D346 V347 L348 | D344-D346 VanDerWaalsContact C-N 3.28Å; D344-D346 PolarHBondContact O-N 2.93Å; D344-V347 PolarHBondContact O-N 3.47Å; D344-L348 HydrophobicContact CB-CD1 4.33Å; D344-L348 HydrophobicContact CB-CG 4.49Å; D344-L348 WeakPolarHBondContact O-CG 3.42Å; D344-L348 PolarHBondContact O-N 2.71Å |
| 345 | K | 49.8 | Very low | 59.4 | Low | 198 Ų | 198 | 86.2 Ų | 86.2 | 86% | 0.861 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -60.9 | -32.9 | -173.1 | -69.6 | -173.6 | 176.5 | -179.4 | 0 | 114 | G343 | G343-K345 PolarHBondContact O-N 2.73Š|
| 346 | D | 49.6 | Very low | 59.2 | Low | 135 Ų | 135 | 89.1 Ų | 89.1 | 72% | 0.722 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -89.3 | -13.6 | 176.3 | -62.8 | -25.1 | 0 | 0 | 0 | 112.5 | G343 D344 | G343-D346 PolarHBondContact O-N 3.24Å; D344-D346 VanDerWaalsContact C-N 3.28Å; D344-D346 PolarHBondContact O-N 2.93Å |
| 347 | V | 50.1 | Low | 59.3 | Low | 20 Ų | 20 | 90 Ų | 90 | 12% | 0.121 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -29.1 | -174.5 | -174.5 | 0 | 0 | 0 | 0 | 112 | V342 D344 A349 L350 | V342-V347 HydrophobicContact CG1-CG2 3.97Å; D344-V347 PolarHBondContact O-N 3.47Å; V347-A349 PolarHBondContact O-N 3.18Å; V347-L350 PolarHBondContact O-N 3.42Å |
| 348 | L | 47 | Very low | 59.5 | Low | 138 Ų | 138 | 90.5 Ų | 90.5 | 72% | 0.723 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -5.8 | -176.9 | -76.9 | 165.2 | 0 | 0 | 0 | 115.6 | D344 | D344-L348 HydrophobicContact CB-CD1 4.33Å; D344-L348 HydrophobicContact CB-CG 4.49Å; D344-L348 WeakPolarHBondContact O-CG 3.42Å; D344-L348 PolarHBondContact O-N 2.71Å |
| 349 | A | 50.4 | Low | 59.8 | Low | 74 Ų | 74 | 92.1 Ų | 92.1 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -10.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V347 | V347-A349 PolarHBondContact O-N 3.18Š|
| 350 | L | 50 | Low | 60 | Low | 93 Ų | 93 | 95 Ų | 95 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -103.2 | 103.8 | -177.6 | -70.8 | 168.1 | 0 | 0 | 0 | 111.2 | V347 G352 | V347-L350 PolarHBondContact O-N 3.42Å; L350-G352 PolarHBondContact O-N 3.15Å |
| 351 | N | 38.7 | Very low | 60.7 | Low | 162 Ų | 162 | 88.8 Ų | 88.8 | 87% | 0.866 | 48% | 0.476 | S | S | * | . | trans | -63.1 | 118.5 | -178.9 | -73.5 | -41.5 | 0 | 0 | 0 | 112.7 | ||||
| 352 | G | 44 | Very low | 61.8 | Low | 38 Ų | 38 | 84.3 Ų | 84.3 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | trans | 158.3 | 103.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L350 H354 | L350-G352 PolarHBondContact O-N 3.15Å; G352-H354 PolarHBondContact O-N 2.89Å; G352-H354 VanDerWaalsContact O-N 3.1Å | ||
| 353 | K | 47.1 | Very low | 62.9 | Low | 210 Ų | 210 | 85.8 Ų | 85.8 | 91% | 0.913 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 3.1 | -177.9 | -82.4 | -172.7 | 174.5 | -179.6 | 0 | 115.9 | ||
| 354 | H | 53.5 | Low | 64.2 | Low | 188 Ų | 188 | 86.4 Ų | 86.4 | 87% | 0.87 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | 6.8 | -173.1 | -78.7 | -79.3 | 0 | 0 | 0 | 115.5 | G352 | G352-H354 PolarHBondContact O-N 2.89Å; G352-H354 VanDerWaalsContact O-N 3.1Å |
| 355 | E | 62.8 | Low | 65.8 | Low | 43 Ų | 43 | 81.8 Ų | 81.8 | 20% | 0.201 | 43% | 0.425 | C | S | . | . | trans | -74.6 | 129.4 | -177.8 | -57.8 | -156.2 | 152.7 | 0 | 0 | 113 | R360 K363 | E355-R360 HydrophobicContact CB-CG 4.29Å; E355-R360 PolarHBondContact O-NE 3.39Å; E355-K363 IonicContact OE1-NZ 3.34Å; E355-K363 PolarHBondContact OE1-NZ 3.38Å; E355-K363 WeakPolarHBondContact OE2-CE 3.48Å; E355-K363 IonicContact OE2-NZ 2.64Å; E355-K363 PolarHBondContact OE2-NZ 2.96Å | ||
| 356 | S | 78.3 | Confident | 67.7 | Low | 61 Ų | 61 | 72.3 Ų | 72.3 | 43% | 0.427 | 38% | 0.384 | S | S | . | . | trans | -67.8 | 154.2 | 178.4 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | S358 Q359 R360 | S356-S358 PolarHBondContact O-N 3.38Å; S356-Q359 WeakPolarHBondContact O-CB 3.38Å; S356-Q359 PolarHBondContact O-N 2.92Å; S356-Q359 WeakPolarHBondContact OG-CB 3.33Å; S356-Q359 PolarHBondContact OG-N 3.07Å; S356-R360 PolarHBondContact O-N 2.9Å | ||
| 357 | N | 82.4 | Confident | 69.6 | Low | 63 Ų | 63 | 67.9 Ų | 67.9 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.7 | -40.6 | 175.5 | -72.1 | -15.1 | 0 | 0 | 0 | 112.3 | D336 M339 Q359 R360 Y361 | D336-N357 PolarHBondContact OD1-ND2 3.19Å; M339-N357 HydrophobicContact CB-CB 4.49Å; M339-N357 HydrophobicContact CG-CB 4.35Å; N357-Q359 VanDerWaalsContact C-N 3.33Å; N357-Q359 PolarHBondContact O-N 2.72Å; N357-R360 PolarHBondContact O-N 3.05Å; N357-Y361 VanDerWaalsContact O-CB 3.28Å; N357-Y361 WeakPolarHBondContact O-CB 3.35Å; N357-Y361 PolarHBondContact O-N 3.02Å |
| 358 | S | 82.8 | Confident | 71.4 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 24% | 0.238 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.8 | -33.1 | 177.2 | -49.6 | 0 | 0 | 0 | 0 | 113.5 | K309 S356 F362 | K309-S358 WeakPolarHBondContact O-CA 3.34Å; K309-S358 WeakPolarHBondContact O-CB 3.4Å; S356-S358 PolarHBondContact O-N 3.38Å; S358-F362 VanDerWaalsContact O-CB 3.31Å; S358-F362 WeakPolarHBondContact O-CB 3.23Å; S358-F362 PolarHBondContact O-N 2.84Å |
| 359 | Q | 83.2 | Confident | 73.5 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.1 | -41.5 | 175.4 | -171 | 176.5 | 19.3 | 0 | 0 | 111.5 | S356 N357 F362 K363 | S356-Q359 WeakPolarHBondContact O-CB 3.38Å; S356-Q359 PolarHBondContact O-N 2.92Å; S356-Q359 WeakPolarHBondContact OG-CB 3.33Å; S356-Q359 PolarHBondContact OG-N 3.07Å; N357-Q359 VanDerWaalsContact C-N 3.33Å; N357-Q359 PolarHBondContact O-N 2.72Å; Q359-F362 PolarHBondContact O-N 3.03Å; Q359-K363 WeakPolarHBondContact O-CG 3.45Å; Q359-K363 PolarHBondContact O-N 3.26Å |
| 360 | R | 81.7 | Confident | 75.5 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 172.9 | -65.1 | 178 | 176.7 | -156.2 | -7.6 | 111.4 | M339 E355 S356 N357 F362 K363 L364 | M339-R360 HydrophobicContact CE-CB 3.76Å; M339-R360 HydrophobicContact CG-CB 4.34Å; M339-R360 HydrophobicContact SD-CB 3.9Å; E355-R360 HydrophobicContact CB-CG 4.29Å; E355-R360 PolarHBondContact O-NE 3.39Å; S356-R360 PolarHBondContact O-N 2.9Å; N357-R360 PolarHBondContact O-N 3.05Å; R360-F362 VanDerWaalsContact C-N 3.33Å; R360-F362 PolarHBondContact O-N 3.46Å; R360-K363 PolarHBondContact O-N 2.77Å; R360-L364 WeakPolarHBondContact O-CG 3.4Å; R360-L364 PolarHBondContact O-N 3.33Å |
| 361 | Y | 87.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 173.7 | 177.2 | -80.6 | 0 | 0 | 0 | 111.5 | H255 A335 V338 N357 L364 Y365 | H255-Y361 HydrophobicContact CB-CE2 3.87Å; H255-Y361 AromaticContact CG-CE2 3.91Å; H255-Y361 PolarHBondContact N-OH 3.37Å; H255-Y361 AromaticContact ND1-CE2 3.5Å; H255-Y361 WeakPolarHBondContact ND1-CE2 3.38Å; H255-Y361 AromaticContact ND1-CZ 3.67Å; H255-Y361 PolarHBondContact ND1-OH 3.18Å; A335-Y361 HydrophobicContact CB-CD2 4.32Å; A335-Y361 HydrophobicContact CB-CG 4.09Å; V338-Y361 HydrophobicContact CB-CD2 4.39Å; V338-Y361 HydrophobicContact CG1-CD2 4.46Å; V338-Y361 HydrophobicContact CG2-CE2 4.5Å; N357-Y361 VanDerWaalsContact O-CB 3.28Å; N357-Y361 WeakPolarHBondContact O-CB 3.35Å; N357-Y361 PolarHBondContact O-N 3.02Å; Y361-L364 PolarHBondContact O-N 3.13Å; Y361-Y365 AromaticContact CD2-CD2 3.72Å; Y361-Y365 HydrophobicContact CD2-CD2 3.72Å; Y361-Y365 HydrophobicContact CD2-CE2 4.13Å; Y361-Y365 AromaticContact CE2-CD2 3.88Å; Y361-Y365 HydrophobicContact CE2-CD2 3.88Å; Y361-Y365 HydrophobicContact CE2-CE2 4.39Å; Y361-Y365 HydrophobicContact CG-CD2 4.14Å; Y361-Y365 PolarHBondContact O-N 2.89Å |
| 362 | F | 88.5 | Confident | 79.6 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -59.2 | -48.8 | 177.8 | 174.2 | -97.6 | 0 | 0 | 0 | 111.6 | S358 Q359 R360 L364 S366 Q367 L370 I433 | S358-F362 VanDerWaalsContact O-CB 3.31Å; S358-F362 WeakPolarHBondContact O-CB 3.23Å; S358-F362 PolarHBondContact O-N 2.84Å; Q359-F362 PolarHBondContact O-N 3.03Å; R360-F362 VanDerWaalsContact C-N 3.33Å; R360-F362 PolarHBondContact O-N 3.46Å; F362-L364 PolarHBondContact O-N 3.2Å; F362-S366 CarbonylContact O-C 3.56Å; F362-S366 WeakPolarHBondContact O-CA 3.47Å; F362-S366 PolarHBondContact O-N 3.46Å; F362-Q367 HydrophobicContact CD1-CB 4.38Å; F362-Q367 HydrophobicContact CE1-CB 3.91Å; F362-Q367 HydrophobicContact CE1-CG 4.18Å; F362-Q367 HydrophobicContact CZ-CB 4.11Å; F362-Q367 HydrophobicContact CZ-CG 4.47Å; F362-Q367 PolarHBondContact O-N 3.04Å; F362-L370 HydrophobicContact CE2-CD2 4.02Å; F362-L370 HydrophobicContact CZ-CD2 3.94Å; F362-I433 HydrophobicContact CD2-CG1 4.38Å; F362-I433 HydrophobicContact CE1-CB 4.46Å; F362-I433 HydrophobicContact CE1-CG1 4.16Å; F362-I433 HydrophobicContact CE2-CD1 4.34Å; F362-I433 HydrophobicContact CE2-CG1 3.96Å; F362-I433 HydrophobicContact CE2-CG2 4.39Å; F362-I433 HydrophobicContact CZ-CB 4.14Å; F362-I433 HydrophobicContact CZ-CG1 3.85Å; F362-I433 HydrophobicContact CZ-CG2 3.89Å |
| 363 | K | 85.5 | Confident | 81.9 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 27% | 0.265 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -59.6 | -46.6 | 177.8 | -72.3 | -179.7 | 178.2 | 180 | 0 | 112.7 | E355 Q359 R360 | E355-K363 IonicContact OE1-NZ 3.34Å; E355-K363 PolarHBondContact OE1-NZ 3.38Å; E355-K363 WeakPolarHBondContact OE2-CE 3.48Å; E355-K363 IonicContact OE2-NZ 2.64Å; E355-K363 PolarHBondContact OE2-NZ 2.96Å; Q359-K363 WeakPolarHBondContact O-CG 3.45Å; Q359-K363 PolarHBondContact O-N 3.26Å; R360-K363 PolarHBondContact O-N 2.77Å |
| 364 | L | 83.8 | Confident | 84 | Confident | 66 Ų | 66 | 37.5 Ų | 37.5 | 35% | 0.346 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -72.2 | -40.5 | -174.7 | -69.7 | 175.5 | 0 | 0 | 0 | 113.8 | M339 R360 Y361 F362 | M339-L364 HydrophobicContact CE-CD1 3.81Å; M339-L364 HydrophobicContact SD-CD1 3.82Å; R360-L364 WeakPolarHBondContact O-CG 3.4Å; R360-L364 PolarHBondContact O-N 3.33Å; Y361-L364 PolarHBondContact O-N 3.13Å; F362-L364 PolarHBondContact O-N 3.2Å |
| 365 | Y | 85.8 | Confident | 85.7 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -112.8 | -40.3 | -171.2 | -60.2 | -75.3 | 0 | 0 | 0 | 114.3 | H255 Y257 V338 Y361 | H255-Y365 HydrophobicContact CB-CD1 3.57Å; H255-Y365 HydrophobicContact CB-CD2 4.05Å; H255-Y365 HydrophobicContact CB-CE1 3.87Å; H255-Y365 HydrophobicContact CB-CE2 4.34Å; H255-Y365 HydrophobicContact CB-CG 3.66Å; Y257-Y365 HydrophobicContact CE1-CD1 4.39Å; Y257-Y365 WeakPolarHBondContact CE1-O 3.27Å; Y257-Y365 WeakPolarHBondContact OH-CA 3.35Å; Y257-Y365 PolarHBondContact OH-O 3.06Å; V338-Y365 HydrophobicContact CG1-CE2 3.6Å; V338-Y365 WeakPolarHBondContact CG1-OH 3.42Å; Y361-Y365 AromaticContact CD2-CD2 3.72Å; Y361-Y365 HydrophobicContact CD2-CD2 3.72Å; Y361-Y365 HydrophobicContact CD2-CE2 4.13Å; Y361-Y365 AromaticContact CE2-CD2 3.88Å; Y361-Y365 HydrophobicContact CE2-CD2 3.88Å; Y361-Y365 HydrophobicContact CE2-CE2 4.39Å; Y361-Y365 HydrophobicContact CG-CD2 4.14Å; Y361-Y365 PolarHBondContact O-N 2.89Å |
| 366 | S | 89.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -99.7 | -29.1 | -166 | -61.9 | 0 | 0 | 0 | 0 | 113.9 | I254 L308 F362 I368 I369 L370 | I254-S366 WeakPolarHBondContact CD1-OG 3.39Å; L308-S366 WeakPolarHBondContact O-CB 3.29Å; L308-S366 PolarHBondContact O-OG 2.82Å; F362-S366 CarbonylContact O-C 3.56Å; F362-S366 WeakPolarHBondContact O-CA 3.47Å; F362-S366 PolarHBondContact O-N 3.46Å; S366-I368 PolarHBondContact O-N 2.7Å; S366-I369 PolarHBondContact O-N 3.17Å; S366-L370 WeakPolarHBondContact O-CB 3.27Å; S366-L370 PolarHBondContact O-N 3.06Å |
| 367 | Q | 89 | Confident | 87.3 | Confident | 42 Ų | 42 | 26.7 Ų | 26.7 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | -178.4 | -174.6 | 179.4 | -5.9 | 0 | 0 | 111.6 | F362 L370 T371 G436 | F362-Q367 HydrophobicContact CD1-CB 4.38Å; F362-Q367 HydrophobicContact CE1-CB 3.91Å; F362-Q367 HydrophobicContact CE1-CG 4.18Å; F362-Q367 HydrophobicContact CZ-CB 4.11Å; F362-Q367 HydrophobicContact CZ-CG 4.47Å; F362-Q367 PolarHBondContact O-N 3.04Å; Q367-L370 PolarHBondContact O-N 2.91Å; Q367-T371 VanDerWaalsContact O-CB 3.24Å; Q367-T371 WeakPolarHBondContact O-CB 3.36Å; Q367-T371 PolarHBondContact O-N 3.46Å; Q367-T371 PolarHBondContact O-OG1 3.03Å; Q367-G436 PolarHBondContact NE2-O 3.4Å |
| 368 | I | 88.4 | Confident | 87.5 | Confident | 73 Ų | 73 | 23.9 Ų | 23.9 | 37% | 0.374 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.6 | -57.9 | 174.2 | 0 | 0 | 0 | 110.6 | S366 T371 E372 | S366-I368 PolarHBondContact O-N 2.7Å; I368-T371 PolarHBondContact O-N 3.28Å; I368-E372 WeakPolarHBondContact O-CB 3.47Å; I368-E372 PolarHBondContact O-N 3.07Å |
| 369 | I | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 179.8 | -79.4 | 166.3 | 0 | 0 | 0 | 111.9 | I254 Y257 V279 F282 C286 S366 A373 | I254-I369 HydrophobicContact CG2-CD1 3.72Å; Y257-I369 HydrophobicContact CD1-CD1 3.33Å; Y257-I369 HydrophobicContact CE1-CD1 3.31Å; Y257-I369 HydrophobicContact CE1-CG1 4.41Å; Y257-I369 HydrophobicContact CG-CD1 4.24Å; V279-I369 HydrophobicContact CG1-CG1 4.23Å; F282-I369 HydrophobicContact CB-CD1 3.78Å; C286-I369 HydrophobicContact CB-CG2 3.71Å; S366-I369 PolarHBondContact O-N 3.17Å; I369-A373 WeakPolarHBondContact O-CB 3.46Å; I369-A373 PolarHBondContact O-N 2.63Å |
| 370 | L | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.6 | -175.7 | 65.8 | 0 | 0 | 0 | 111.1 | L290 L308 F362 S366 Q367 A373 V374 L427 I433 L437 | L290-L370 HydrophobicContact CD1-CD1 4.33Å; L290-L370 HydrophobicContact CD2-CD1 3.96Å; L308-L370 HydrophobicContact CD1-CD1 4.49Å; L308-L370 HydrophobicContact CD2-CD1 4.37Å; F362-L370 HydrophobicContact CE2-CD2 4.02Å; F362-L370 HydrophobicContact CZ-CD2 3.94Å; S366-L370 WeakPolarHBondContact O-CB 3.27Å; S366-L370 PolarHBondContact O-N 3.06Å; Q367-L370 PolarHBondContact O-N 2.91Å; L370-A373 PolarHBondContact O-N 3.01Å; L370-V374 HydrophobicContact CD1-CG2 4.08Å; L370-V374 HydrophobicContact CG-CG2 4.32Å; L370-V374 WeakPolarHBondContact O-CB 3.5Å; L370-V374 VanDerWaalsContact O-CG2 3.28Å; L370-V374 WeakPolarHBondContact O-CG2 3.34Å; L370-V374 PolarHBondContact O-N 2.93Å; L370-L427 HydrophobicContact CD1-CD1 4.17Å; L370-L427 HydrophobicContact CD1-CD2 4.3Å; L370-L427 HydrophobicContact CD2-CD2 4.43Å; L370-I433 HydrophobicContact CD2-CG2 3.51Å; L370-L437 HydrophobicContact CD2-CD1 4.33Å; L370-L437 HydrophobicContact CD2-CD2 4.37Å; L370-L437 HydrophobicContact CG-CD1 4.1Å |
| 371 | T | 89.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 24.8 Ų | 24.8 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 177 | -59.5 | 0 | 0 | 0 | 0 | 111 | Q367 I368 V374 R375 N440 L441 | Q367-T371 VanDerWaalsContact O-CB 3.24Å; Q367-T371 WeakPolarHBondContact O-CB 3.36Å; Q367-T371 PolarHBondContact O-N 3.46Å; Q367-T371 PolarHBondContact O-OG1 3.03Å; I368-T371 PolarHBondContact O-N 3.28Å; T371-V374 PolarHBondContact O-N 2.84Å; T371-R375 VanDerWaalsContact O-CB 3.3Å; T371-R375 WeakPolarHBondContact O-CB 3.44Å; T371-R375 PolarHBondContact O-N 3.1Å; T371-N440 HydrophobicContact CG2-CB 3.71Å; T371-L441 HydrophobicContact CG2-CD1 4.4Å; T371-L441 HydrophobicContact CG2-CD2 3.9Å; T371-L441 HydrophobicContact CG2-CG 4.04Å |
| 372 | E | 87.5 | Confident | 87.2 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 177.1 | 177.1 | 63.5 | -164.7 | 0 | 0 | 112.3 | A283 I368 R376 Q633 | A283-E372 HydrophobicContact CB-CG 4.11Å; I368-E372 WeakPolarHBondContact O-CB 3.47Å; I368-E372 PolarHBondContact O-N 3.07Å; E372-R376 WeakPolarHBondContact O-CB 3.48Å; E372-R376 VanDerWaalsContact O-CG 3.24Å; E372-R376 WeakPolarHBondContact O-CG 3.43Å; E372-R376 PolarHBondContact O-N 3.48Å; E372-R376 IonicContact OE1-CZ 3.88Å; E372-R376 IonicContact OE1-NE 3.64Å; E372-R376 PolarHBondContact OE1-NE 3.21Å; E372-R376 IonicContact OE1-NH2 2.83Å; E372-R376 PolarHBondContact OE1-NH2 3.25Å; E372-Q633 PolarHBondContact OE1-N 3.45Å; E372-Q633 PolarHBondContact OE2-N 2.83Å |
| 373 | A | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C286 T287 L290 I369 L370 R376 L377 | C286-A373 HydrophobicContact CB-CB 3.84Å; T287-A373 WeakPolarHBondContact OG1-CA 3.49Å; T287-A373 WeakPolarHBondContact OG1-CB 3.28Å; L290-A373 HydrophobicContact CD1-CB 4.29Å; I369-A373 WeakPolarHBondContact O-CB 3.46Å; I369-A373 PolarHBondContact O-N 2.63Å; L370-A373 PolarHBondContact O-N 3.01Å; A373-R376 PolarHBondContact O-N 2.85Å; A373-L377 WeakPolarHBondContact O-CB 3.41Å; A373-L377 PolarHBondContact O-N 2.67Å |
| 374 | V | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.5 | -35.6 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | L290 L370 T371 L377 I378 L424 L427 L437 L441 | L290-V374 HydrophobicContact CD1-CG2 3.68Å; L370-V374 HydrophobicContact CD1-CG2 4.08Å; L370-V374 HydrophobicContact CG-CG2 4.32Å; L370-V374 WeakPolarHBondContact O-CB 3.5Å; L370-V374 VanDerWaalsContact O-CG2 3.28Å; L370-V374 WeakPolarHBondContact O-CG2 3.34Å; L370-V374 PolarHBondContact O-N 2.93Å; T371-V374 PolarHBondContact O-N 2.84Å; V374-L377 WeakPolarHBondContact O-CB 3.36Å; V374-L377 PolarHBondContact O-N 2.87Å; V374-I378 HydrophobicContact CG1-CD1 3.95Å; V374-I378 HydrophobicContact CG1-CG1 4.44Å; V374-I378 WeakPolarHBondContact O-CD1 3.48Å; V374-I378 VanDerWaalsContact O-CG1 3.27Å; V374-I378 WeakPolarHBondContact O-CG1 3.35Å; V374-I378 PolarHBondContact O-N 3.48Å; V374-L424 HydrophobicContact CG1-CD2 3.69Å; V374-L424 HydrophobicContact CG1-CG 4.31Å; V374-L427 HydrophobicContact CG2-CD1 3.71Å; V374-L437 HydrophobicContact CB-CD1 4.44Å; V374-L437 HydrophobicContact CG2-CD1 4.33Å; V374-L437 HydrophobicContact CG2-CD2 4.4Å; V374-L441 HydrophobicContact CB-CD1 3.65Å; V374-L441 HydrophobicContact CG1-CD1 3.52Å |
| 375 | R | 89.2 | Confident | 85.7 | Confident | 21 Ų | 21 | 25.5 Ų | 25.5 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 171.2 | -173.9 | 169.7 | -65.1 | 130.6 | 3.9 | 112.1 | T371 L377 I378 H379 N440 L441 D444 Q633 | T371-R375 VanDerWaalsContact O-CB 3.3Å; T371-R375 WeakPolarHBondContact O-CB 3.44Å; T371-R375 PolarHBondContact O-N 3.1Å; R375-L377 VanDerWaalsContact C-N 3.33Å; R375-L377 PolarHBondContact O-N 2.64Å; R375-I378 PolarHBondContact O-N 3.06Å; R375-H379 PolarHBondContact O-CD2 3.48Å; R375-H379 PolarHBondContact O-N 3.32Å; R375-N440 PolarHBondContact NH2-O 2.98Å; R375-L441 HydrophobicContact CB-CD2 3.89Å; R375-L441 HydrophobicContact CG-CD2 4.49Å; R375-D444 IonicContact CZ-OD2 3.21Å; R375-D444 IonicContact NE-OD2 3.68Å; R375-D444 PolarHBondContact NE-OD2 3.48Å; R375-D444 IonicContact NH2-OD2 2.78Å; R375-Q633 VanDerWaalsContact CD-O 3.26Å; R375-Q633 WeakPolarHBondContact CD-O 3.37Å; R375-Q633 HydrophobicContact CG-CB 4.27Å; R375-Q633 HydrophobicContact CG-CG 4.37Å; R375-Q633 PolarHBondContact NH1-O 3.13Å |
| 376 | R | 87.3 | Confident | 84.5 | Confident | 44 Ų | 44 | 25.3 Ų | 25.3 | 17% | 0.166 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 174 | -72.8 | 169 | -172.5 | -179 | 8.1 | 112.6 | K280 A283 E372 A373 N380 W631 | K280-R376 PolarHBondContact O-NH1 3.08Å; A283-R376 VanDerWaalsContact CB-NH1 3.33Å; E372-R376 WeakPolarHBondContact O-CB 3.48Å; E372-R376 VanDerWaalsContact O-CG 3.24Å; E372-R376 WeakPolarHBondContact O-CG 3.43Å; E372-R376 PolarHBondContact O-N 3.48Å; E372-R376 IonicContact OE1-CZ 3.88Å; E372-R376 IonicContact OE1-NE 3.64Å; E372-R376 PolarHBondContact OE1-NE 3.21Å; E372-R376 IonicContact OE1-NH2 2.83Å; E372-R376 PolarHBondContact OE1-NH2 3.25Å; A373-R376 PolarHBondContact O-N 2.85Å; R376-N380 PolarHBondContact O-N 3.5Å; R376-W631 PolarHBondContact NH2-O 3.06Å |
| 377 | L | 88.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 173.6 | 165.8 | 62.4 | 0 | 0 | 0 | 112.5 | L290 A373 V374 R375 N380 P381 L384 P420 I423 | L290-L377 HydrophobicContact CD1-CD2 4.46Å; A373-L377 WeakPolarHBondContact O-CB 3.41Å; A373-L377 PolarHBondContact O-N 2.67Å; V374-L377 WeakPolarHBondContact O-CB 3.36Å; V374-L377 PolarHBondContact O-N 2.87Å; R375-L377 VanDerWaalsContact C-N 3.33Å; R375-L377 PolarHBondContact O-N 2.64Å; L377-N380 CarbonylContact O-C 3.07Å; L377-N380 VanDerWaalsContact O-C 3.29Å; L377-P381 VanDerWaalsContact O-CA 3.3Å; L377-P381 WeakPolarHBondContact O-CA 3.43Å; L377-P381 WeakPolarHBondContact O-CG 3.32Å; L377-P381 VanDerWaalsContact O-N 3.12Å; L377-L384 HydrophobicContact CD1-CD1 3.47Å; L377-L384 VanDerWaalsContact CD1-CD1 3.47Å; L377-L384 HydrophobicContact CD1-CD2 4.08Å; L377-L384 HydrophobicContact CD1-CG 3.68Å; L377-P420 HydrophobicContact CD1-CG 4.07Å; L377-P420 HydrophobicContact CG-CB 4.17Å; L377-P420 HydrophobicContact CG-CG 4.12Å; L377-I423 HydrophobicContact CD1-CD1 4.33Å; L377-I423 HydrophobicContact CD2-CB 4.02Å; L377-I423 HydrophobicContact CD2-CD1 3.63Å; L377-I423 HydrophobicContact CD2-CG1 4.42Å; L377-I423 HydrophobicContact CD2-CG2 3.69Å |
| 378 | I | 86.3 | Confident | 80.7 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -51.6 | 177.6 | -69.9 | 161 | 0 | 0 | 0 | 110.6 | V374 R375 N380 P420 D444 I445 Y448 | V374-I378 HydrophobicContact CG1-CD1 3.95Å; V374-I378 HydrophobicContact CG1-CG1 4.44Å; V374-I378 WeakPolarHBondContact O-CD1 3.48Å; V374-I378 VanDerWaalsContact O-CG1 3.27Å; V374-I378 WeakPolarHBondContact O-CG1 3.35Å; V374-I378 PolarHBondContact O-N 3.48Å; R375-I378 PolarHBondContact O-N 3.06Å; I378-N380 VanDerWaalsContact C-N 3.34Å; I378-N380 PolarHBondContact O-N 3.16Å; I378-P420 HydrophobicContact CG1-CB 4.37Å; I378-D444 HydrophobicContact CD1-CB 4.37Å; I378-D444 HydrophobicContact CG2-CB 4.43Å; I378-I445 HydrophobicContact CD1-CD1 4.36Å; I378-I445 HydrophobicContact CD1-CG1 3.53Å; I378-I445 HydrophobicContact CG1-CG1 4.43Å; I378-Y448 HydrophobicContact CG2-CD1 4.44Å; I378-Y448 HydrophobicContact CG2-CD2 3.97Å; I378-Y448 HydrophobicContact CG2-CG 3.75Å; I378-Y448 VanDerWaalsContact O-CD2 3.3Å; I378-Y448 WeakPolarHBondContact O-CD2 3.36Å; I378-Y448 VanDerWaalsContact O-CE2 3.28Å; I378-Y448 WeakPolarHBondContact O-CE2 3.47Å |
| 379 | H | 83.9 | Confident | 78.4 | Confident | 78 Ų | 78 | 29.2 Ų | 29.2 | 36% | 0.361 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -71.2 | -25.5 | -179.7 | -67.9 | -68.7 | 0 | 0 | 0 | 114 | R375 Q633 | R375-H379 PolarHBondContact O-CD2 3.48Å; R375-H379 PolarHBondContact O-N 3.32Å; H379-Q633 PolarHBondContact CD2-NE2 3Å; H379-Q633 PolarHBondContact CD2-OE1 3.22Å; H379-Q633 VanDerWaalsContact CG-NE2 3.3Å |
| 380 | N | 84.5 | Confident | 75.6 | Confident | 76 Ų | 76 | 32.2 Ų | 32.2 | 41% | 0.406 | 17% | 0.167 | S | C | . | . | trans | -140.6 | 84.1 | 174.9 | -176.1 | 15.7 | 0 | 0 | 0 | 112.3 | R376 L377 I378 T382 C383 | R376-N380 PolarHBondContact O-N 3.5Å; L377-N380 CarbonylContact O-C 3.07Å; L377-N380 VanDerWaalsContact O-C 3.29Å; I378-N380 VanDerWaalsContact C-N 3.34Å; I378-N380 PolarHBondContact O-N 3.16Å; N380-T382 PolarHBondContact O-N 2.99Å; N380-T382 PolarHBondContact OD1-N 3.06Å; N380-T382 PolarHBondContact OD1-OG1 3.47Å; N380-C383 WeakPolarHBondContact O-CB 3.33Å; N380-C383 PolarHBondContact O-N 3Å; N380-C383 PolarHBondContact O-SG 3.28Å | ||
| 381 | P | 82 | Confident | 72.8 | Confident | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.7 | -10 | 179 | -21.6 | 32.4 | 0 | 0 | 0 | 114.8 | L377 I416 P420 Y448 | L377-P381 VanDerWaalsContact O-CA 3.3Å; L377-P381 WeakPolarHBondContact O-CA 3.43Å; L377-P381 WeakPolarHBondContact O-CG 3.32Å; L377-P381 VanDerWaalsContact O-N 3.12Å; P381-I416 HydrophobicContact CB-CG2 3.78Å; P381-P420 HydrophobicContact CB-CG 4.13Å; P381-P420 HydrophobicContact CG-CG 4.03Å; P381-Y448 HydrophobicContact CG-CE2 3.79Å; P381-Y448 WeakPolarHBondContact CG-OH 3.31Å |
| 382 | T | 79.1 | Confident | 70.2 | Confident | 63 Ų | 63 | 46 Ų | 46 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -82.6 | -7.6 | 173.1 | 74.9 | 0 | 0 | 0 | 0 | 113.8 | N380 L384 I416 L491 | N380-T382 PolarHBondContact O-N 2.99Å; N380-T382 PolarHBondContact OD1-N 3.06Å; N380-T382 PolarHBondContact OD1-OG1 3.47Å; T382-L384 PolarHBondContact O-N 3.32Å; T382-I416 HydrophobicContact CG2-CD1 4.48Å; T382-I416 HydrophobicContact CG2-CG2 4.02Å; T382-L491 HydrophobicContact CG2-CD2 4.41Å |
| 383 | C | 80.5 | Confident | 67.6 | Low | 49 Ų | 49 | 52.6 Ų | 52.6 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -70.9 | -14.1 | 178.7 | 72.3 | 0 | 0 | 0 | 0 | 114.4 | T287 N380 | T287-C383 WeakPolarHBondContact CG2-SG 3.35Å; N380-C383 WeakPolarHBondContact O-CB 3.33Å; N380-C383 PolarHBondContact O-N 3Å; N380-C383 PolarHBondContact O-SG 3.28Å |
| 384 | L | 78.9 | Confident | 64.9 | Low | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -73.5 | 129.3 | 175.5 | -65.9 | 173.5 | 0 | 0 | 0 | 110.9 | T287 L294 L377 T382 V386 R419 I423 | T287-L384 VanDerWaalsContact O-CD2 3.26Å; T287-L384 WeakPolarHBondContact O-CD2 3.46Å; L294-L384 HydrophobicContact CD1-CD1 4.01Å; L377-L384 HydrophobicContact CD1-CD1 3.47Å; L377-L384 VanDerWaalsContact CD1-CD1 3.47Å; L377-L384 HydrophobicContact CD1-CD2 4.08Å; L377-L384 HydrophobicContact CD1-CG 3.68Å; T382-L384 PolarHBondContact O-N 3.32Å; L384-V386 PolarHBondContact O-N 3.4Å; L384-R419 HydrophobicContact CD1-CB 3.95Å; L384-R419 HydrophobicContact CD1-CG 4.49Å; L384-I423 HydrophobicContact CD1-CD1 3.56Å; L384-I423 HydrophobicContact CD2-CD1 4.13Å; L384-I423 HydrophobicContact CG-CD1 4.5Å |
| 385 | P | 66.7 | Low | 61.9 | Low | 31 Ų | 31 | 65.8 Ų | 65.8 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 131.7 | 175.4 | 30.6 | -37.7 | 0 | 0 | 0 | 110 | C230 A288 | C230-P385 WeakPolarHBondContact O-CG 3.3Å; A288-P385 HydrophobicContact CB-CG 4.31Å |
| 386 | V | 59.5 | Low | 59 | Low | 8 Ų | 8 | 72.5 Ų | 72.5 | 5% | 0.048 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 135.4 | -178.2 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | L384 Y388 M500 L503 I504 | L384-V386 PolarHBondContact O-N 3.4Å; V386-Y388 WeakPolarHBondContact O-CD2 3.47Å; V386-Y388 PolarHBondContact O-N 3.17Å; V386-Y388 VanDerWaalsContact O-N 3.09Å; V386-M500 HydrophobicContact CB-CE 4.29Å; V386-M500 HydrophobicContact CB-CG 4.34Å; V386-M500 HydrophobicContact CB-SD 4.46Å; V386-M500 HydrophobicContact CG1-CG 4.5Å; V386-M500 HydrophobicContact CG2-CE 4.27Å; V386-M500 HydrophobicContact CG2-CG 4.18Å; V386-M500 HydrophobicContact CG2-SD 3.95Å; V386-L503 HydrophobicContact CG1-CB 4.01Å; V386-L503 HydrophobicContact CG1-CD1 4.1Å; V386-I504 HydrophobicContact CG1-CG1 4.06Å |
| 387 | P | 53.9 | Low | 56.2 | Low | 35 Ų | 35 | 78.6 Ų | 78.6 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | trans | -58.9 | 114.7 | 177 | 23 | -33.9 | 0 | 0 | 0 | 111.8 | G234 Q389 | G234-P387 VanDerWaalsContact O-CA 3.27Å; G234-P387 WeakPolarHBondContact O-CA 3.38Å; P387-Q389 PolarHBondContact O-N 3.28Å | ||
| 388 | Y | 44.8 | Very low | 53.2 | Low | 82 Ų | 82 | 84.1 Ų | 84.1 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | trans | -68.6 | 97.9 | 178.6 | -77 | -95.1 | 0 | 0 | 0 | 110.9 | P191 S236 V386 L503 | P191-Y388 HydrophobicContact CG-CG 4.45Å; S236-Y388 VanDerWaalsContact CB-O 3.3Å; S236-Y388 WeakPolarHBondContact CB-O 3.25Å; S236-Y388 PolarHBondContact OG-O 2.86Å; V386-Y388 WeakPolarHBondContact O-CD2 3.47Å; V386-Y388 PolarHBondContact O-N 3.17Å; V386-Y388 VanDerWaalsContact O-N 3.09Å; Y388-L503 HydrophobicContact CD1-CD1 4.37Å | ||
| 389 | Q | 40.2 | Very low | 50.7 | Low | 80 Ų | 80 | 88 Ų | 88 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | trans | -102 | 78.6 | 167.2 | -63.9 | -175.3 | -39.4 | 0 | 0 | 110.5 | P387 L503 | P387-Q389 PolarHBondContact O-N 3.28Å; Q389-L503 VanDerWaalsContact C-CD2 3.42Å; Q389-L503 HydrophobicContact CB-CD2 3.81Å; Q389-L503 WeakPolarHBondContact O-CD2 3.29Å | ||
| 390 | L | 32.5 | Very low | 48.2 | Very low | 64 Ų | 64 | 93.7 Ų | 93.7 | 34% | 0.335 | 49% | 0.486 | S | S | . | . | trans | -131.9 | 97.3 | 163.6 | -92.9 | -173.5 | 0 | 0 | 0 | 111.3 | L395 N499 | L390-L395 HydrophobicContact CD2-CD1 3.65Å; L390-N499 HydrophobicContact CD1-CB 3.41Å; L390-N499 VanDerWaalsContact CD1-CB 3.41Å; L390-N499 HydrophobicContact CG-CB 4.37Å | ||
| 391 | N | 31.6 | Very low | 45.8 | Very low | 141 Ų | 141 | 94.3 Ų | 94.3 | 75% | 0.754 | 50% | 0.496 | S | S | * | . | trans | -84.7 | 114 | 142.5 | -73.8 | -11.7 | 0 | 0 | 0 | 106.3 | N393 | N391-N393 PolarHBondContact O-N 3.19Š| ||
| 392 | E | 35.5 | Very low | 43.7 | Very low | 160 Ų | 160 | 100 Ų | 100 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -67.1 | -7 | -173.8 | -60.9 | -170.5 | 126.3 | 0 | 0 | 113.9 | H394 | E392-H394 PolarHBondContact O-N 3.21Š|
| 393 | N | 32.3 | Very low | 41.6 | Very low | 149 Ų | 149 | 105.1 Ų | 105.1 | 80% | 0.797 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -87 | 3.1 | -166.6 | -64.6 | -12.5 | 0 | 0 | 0 | 116.2 | N391 | N391-N393 PolarHBondContact O-N 3.19Š|
| 394 | H | 34.2 | Very low | 39.8 | Very low | 175 Ų | 175 | 104.8 Ų | 104.8 | 81% | 0.81 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -122.5 | -1.1 | -178.4 | -85.4 | -71.2 | 0 | 0 | 0 | 116.2 | E392 N396 | E392-H394 PolarHBondContact O-N 3.21Å; H394-N396 VanDerWaalsContact C-N 3.27Å; H394-N396 PolarHBondContact O-N 2.97Å |
| 395 | L | 29.2 | Very low | 38.6 | Very low | 103 Ų | 103 | 107.2 Ų | 107.2 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | trans | -83.7 | 55.8 | -176.4 | -79.7 | 169.2 | 0 | 0 | 0 | 114.3 | L390 | L390-L395 HydrophobicContact CD2-CD1 3.65Š| ||
| 396 | N | 26.6 | Very low | 37.9 | Very low | 161 Ų | 161 | 110 Ų | 110 | 86% | 0.861 | 58% | 0.584 | S | S | * | * | trans | -110.1 | 65 | 171.8 | -92.9 | -25.3 | 0 | 0 | 0 | 111.8 | H394 | H394-N396 VanDerWaalsContact C-N 3.27Å; H394-N396 PolarHBondContact O-N 2.97Å | ||
| 397 | F | 29.2 | Very low | 37.7 | Very low | 173 Ų | 173 | 113.2 Ų | 113.2 | 76% | 0.759 | 60% | 0.6 | S | S | * | * | trans | -129.7 | 77.9 | 170.3 | -155 | -108.6 | 0 | 0 | 0 | 112.7 | T399 | F397-T399 HydrophobicContact CD1-CG2 3.93Å; F397-T399 WeakPolarHBondContact CD1-OG1 3.43Å; F397-T399 HydrophobicContact CE1-CG2 3.35Å; F397-T399 WeakPolarHBondContact CE1-OG1 3.24Å; F397-T399 HydrophobicContact CE2-CG2 4.12Å; F397-T399 HydrophobicContact CZ-CG2 3.46Å; F397-T399 VanDerWaalsContact CZ-CG2 3.46Å; F397-T399 PolarHBondContact O-N 3.36Å; F397-T399 VanDerWaalsContact O-N 3.13Å | ||
| 398 | S | 26.6 | Very low | 38.1 | Very low | 116 Ų | 116 | 112.9 Ų | 112.9 | 81% | 0.811 | 60% | 0.599 | S | S | * | * | trans | -84.3 | 69.5 | 178.5 | -165.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 399 | T | 33.1 | Very low | 39.3 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 52% | 0.515 | 60% | 0.603 | S | S | . | * | trans | -103.1 | 100.4 | 170.1 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | F397 S401 | F397-T399 HydrophobicContact CD1-CG2 3.93Å; F397-T399 WeakPolarHBondContact CD1-OG1 3.43Å; F397-T399 HydrophobicContact CE1-CG2 3.35Å; F397-T399 WeakPolarHBondContact CE1-OG1 3.24Å; F397-T399 HydrophobicContact CE2-CG2 4.12Å; F397-T399 HydrophobicContact CZ-CG2 3.46Å; F397-T399 VanDerWaalsContact CZ-CG2 3.46Å; F397-T399 PolarHBondContact O-N 3.36Å; F397-T399 VanDerWaalsContact O-N 3.13Å; T399-S401 PolarHBondContact O-N 3.19Å | ||
| 400 | K | 30.5 | Very low | 40.7 | Very low | 198 Ų | 198 | 108.3 Ų | 108.3 | 86% | 0.861 | 59% | 0.589 | S | S | * | * | trans | -71.3 | 93.3 | 172 | -67.2 | 177.2 | -179.3 | 175.2 | 0 | 110.5 | ||||
| 401 | S | 34.6 | Very low | 42.5 | Very low | 89.5 Ų | 89.5 | 107 Ų | 107 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | trans | -136 | 110.8 | 160 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | T399 F403 G404 | T399-S401 PolarHBondContact O-N 3.19Å; S401-F403 PolarHBondContact O-N 3.08Å; S401-G404 PolarHBondContact O-N 3.36Å | ||
| 402 | T | 38.8 | Very low | 44.4 | Very low | 135.5 Ų | 135.5 | 101.9 Ų | 101.9 | 83% | 0.831 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 9.2 | -169.2 | -29.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 403 | F | 34 | Very low | 46.3 | Very low | 169.5 Ų | 169.5 | 95.6 Ų | 95.6 | 74% | 0.743 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -6.5 | 179.7 | -77.1 | -88.2 | 0 | 0 | 0 | 113.9 | S401 | S401-F403 PolarHBondContact O-N 3.08Š|
| 404 | G | 42.8 | Very low | 48.5 | Very low | 42.5 Ų | 42.5 | 89.1 Ų | 89.1 | 44% | 0.438 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -83.2 | -13.6 | -173 | 0 | 0 | 0 | 0 | 0 | 116.3 | S401 | S401-G404 PolarHBondContact O-N 3.36Å |
| 405 | S | 53.9 | Low | 50.6 | Low | 53.5 Ų | 53.5 | 81.5 Ų | 81.5 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.4 | -45.9 | -175.2 | 44.9 | 0 | 0 | 0 | 0 | 113.1 | S408 A409 | S405-S408 WeakPolarHBondContact O-CB 3.37Å; S405-S408 PolarHBondContact O-N 3.08Å; S405-S408 VanDerWaalsContact O-N 3.11Å; S405-S408 PolarHBondContact O-OG 3.31Å; S405-A409 PolarHBondContact O-N 2.97Å; S405-A409 VanDerWaalsContact O-N 3.08Å |
| 406 | D | 52.6 | Low | 53.1 | Low | 90.5 Ų | 90.5 | 77.6 Ų | 77.6 | 48% | 0.484 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -79.2 | -36 | -161.1 | -60.5 | 13.1 | 0 | 0 | 0 | 111.3 | S408 A409 L410 | D406-S408 VanDerWaalsContact C-N 3.29Å; D406-S408 PolarHBondContact O-N 3.19Å; D406-A409 WeakPolarHBondContact O-CB 3.42Å; D406-A409 PolarHBondContact O-N 3.05Å; D406-L410 PolarHBondContact O-N 3.29Å |
| 407 | L | 55.6 | Low | 55.8 | Low | 75.5 Ų | 75.5 | 70.4 Ų | 70.4 | 40% | 0.395 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 169.4 | -144.3 | 72.4 | 0 | 0 | 0 | 111.3 | A409 L410 V411 | L407-A409 VanDerWaalsContact C-N 3.31Å; L407-A409 PolarHBondContact O-N 3.12Å; L407-L410 PolarHBondContact O-N 3.06Å; L407-V411 WeakPolarHBondContact O-CB 3.26Å; L407-V411 VanDerWaalsContact O-CG2 3.28Å; L407-V411 WeakPolarHBondContact O-CG2 3.24Å; L407-V411 PolarHBondContact O-N 3Å |
| 408 | S | 62.4 | Low | 58.4 | Low | 27.5 Ų | 27.5 | 62.3 Ų | 62.3 | 19% | 0.192 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 177.9 | 83 | 0 | 0 | 0 | 0 | 112 | S405 D406 V411 I412 K505 | S405-S408 WeakPolarHBondContact O-CB 3.37Å; S405-S408 PolarHBondContact O-N 3.08Å; S405-S408 VanDerWaalsContact O-N 3.11Å; S405-S408 PolarHBondContact O-OG 3.31Å; D406-S408 VanDerWaalsContact C-N 3.29Å; D406-S408 PolarHBondContact O-N 3.19Å; S408-V411 PolarHBondContact O-N 3.28Å; S408-I412 WeakPolarHBondContact O-CB 3.44Å; S408-I412 WeakPolarHBondContact O-CD1 3.33Å; S408-I412 WeakPolarHBondContact O-CG1 3.3Å; S408-I412 PolarHBondContact O-N 3.28Å; S408-K505 VanDerWaalsContact OG-CE 3.24Å; S408-K505 WeakPolarHBondContact OG-CE 3.47Å; S408-K505 PolarHBondContact OG-NZ 3.26Å |
| 409 | A | 68.7 | Low | 61.2 | Low | 51 Ų | 51 | 58.3 Ų | 58.3 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S405 D406 L407 V411 I412 E413 | S405-A409 PolarHBondContact O-N 2.97Å; S405-A409 VanDerWaalsContact O-N 3.08Å; D406-A409 WeakPolarHBondContact O-CB 3.42Å; D406-A409 PolarHBondContact O-N 3.05Å; L407-A409 VanDerWaalsContact C-N 3.31Å; L407-A409 PolarHBondContact O-N 3.12Å; A409-V411 VanDerWaalsContact C-N 3.32Å; A409-V411 PolarHBondContact O-N 3.05Å; A409-I412 WeakPolarHBondContact O-CB 3.5Å; A409-I412 PolarHBondContact O-N 3.21Å; A409-E413 WeakPolarHBondContact O-CB 3.39Å; A409-E413 PolarHBondContact O-N 3.1Å |
| 410 | L | 69.7 | Low | 63.9 | Low | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 175.1 | -87.8 | 158.7 | 0 | 0 | 0 | 112.5 | D406 L407 E413 R414 Q459 V579 | D406-L410 PolarHBondContact O-N 3.29Å; L407-L410 PolarHBondContact O-N 3.06Å; L410-E413 PolarHBondContact O-N 3.11Å; L410-R414 WeakPolarHBondContact O-CB 3.44Å; L410-R414 PolarHBondContact O-N 3.24Å; L410-Q459 HydrophobicContact CD2-CB 3.72Å; L410-V579 HydrophobicContact CB-CG1 4.41Å |
| 411 | V | 71.3 | Confident | 66.6 | Low | 37 Ų | 37 | 45 Ų | 45 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 178.9 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | L407 S408 A409 S415 V508 | L407-V411 WeakPolarHBondContact O-CB 3.26Å; L407-V411 VanDerWaalsContact O-CG2 3.28Å; L407-V411 WeakPolarHBondContact O-CG2 3.24Å; L407-V411 PolarHBondContact O-N 3Å; S408-V411 PolarHBondContact O-N 3.28Å; A409-V411 VanDerWaalsContact C-N 3.32Å; A409-V411 PolarHBondContact O-N 3.05Å; V411-S415 WeakPolarHBondContact O-CB 3.22Å; V411-S415 PolarHBondContact O-N 3.17Å; V411-S415 VanDerWaalsContact O-N 3.08Å; V411-V508 HydrophobicContact CG1-CB 4.33Å; V411-V508 HydrophobicContact CG1-CG1 3.51Å |
| 412 | I | 70.4 | Confident | 69.1 | Low | 33.5 Ų | 33.5 | 45 Ų | 45 | 17% | 0.172 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -50.5 | 170.3 | -69.9 | 163 | 0 | 0 | 0 | 109.9 | S408 A409 R414 S415 I416 I501 I504 K505 V508 | S408-I412 WeakPolarHBondContact O-CB 3.44Å; S408-I412 WeakPolarHBondContact O-CD1 3.33Å; S408-I412 WeakPolarHBondContact O-CG1 3.3Å; S408-I412 PolarHBondContact O-N 3.28Å; A409-I412 WeakPolarHBondContact O-CB 3.5Å; A409-I412 PolarHBondContact O-N 3.21Å; I412-R414 PolarHBondContact O-N 3.49Å; I412-S415 CarbonylContact O-C 3.54Å; I412-S415 WeakPolarHBondContact O-CA 3.34Å; I412-S415 WeakPolarHBondContact O-CB 3.4Å; I412-S415 PolarHBondContact O-N 2.96Å; I412-S415 VanDerWaalsContact O-N 3.15Å; I412-S415 PolarHBondContact O-OG 3.38Å; I412-I416 HydrophobicContact CG2-CD1 3.75Å; I412-I416 HydrophobicContact CG2-CG1 4.42Å; I412-I416 WeakPolarHBondContact O-CG1 3.24Å; I412-I416 PolarHBondContact O-N 3.05Å; I412-I501 HydrophobicContact CD1-CG2 3.94Å; I412-I504 HydrophobicContact CB-CG2 4.2Å; I412-I504 HydrophobicContact CD1-CG2 4.2Å; I412-I504 HydrophobicContact CG1-CB 4.21Å; I412-I504 HydrophobicContact CG1-CG2 3.94Å; I412-I504 HydrophobicContact CG2-CB 4.4Å; I412-I504 HydrophobicContact CG2-CD1 4.22Å; I412-I504 HydrophobicContact CG2-CG2 3.99Å; I412-K505 HydrophobicContact CD1-CG 3.91Å; I412-K505 HydrophobicContact CG1-CG 4.25Å; I412-V508 HydrophobicContact CD1-CG2 3.55Å; I412-V508 HydrophobicContact CG1-CG1 4.4Å; I412-V508 HydrophobicContact CG1-CG2 3.55Å |
| 413 | E | 74.9 | Confident | 71.4 | Confident | 27.5 Ų | 27.5 | 38.6 Ų | 38.6 | 13% | 0.129 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | -174.7 | -174.2 | 152.9 | -173.7 | 0 | 0 | 111.8 | A409 L410 S415 I416 S417 K455 L456 Q459 | A409-E413 WeakPolarHBondContact O-CB 3.39Å; A409-E413 PolarHBondContact O-N 3.1Å; L410-E413 PolarHBondContact O-N 3.11Å; E413-S415 VanDerWaalsContact C-N 3.32Å; E413-S415 PolarHBondContact O-N 3.23Å; E413-I416 WeakPolarHBondContact O-CB 3.42Å; E413-I416 PolarHBondContact O-N 3.33Å; E413-I416 VanDerWaalsContact O-N 3.11Å; E413-S417 PolarHBondContact O-N 2.98Å; E413-S417 PolarHBondContact O-OG 3.24Å; E413-K455 VanDerWaalsContact OE1-CD 3.24Å; E413-K455 WeakPolarHBondContact OE1-CD 3.27Å; E413-K455 WeakPolarHBondContact OE1-CE 3.31Å; E413-K455 IonicContact OE1-NZ 3.67Å; E413-K455 PolarHBondContact OE1-NZ 2.91Å; E413-L456 HydrophobicContact CB-CD2 4.4Å; E413-L456 HydrophobicContact CG-CD2 4.08Å; E413-Q459 VanDerWaalsContact CD-NE2 3.26Å; E413-Q459 PolarHBondContact OE1-NE2 2.85Å; E413-Q459 PolarHBondContact OE2-NE2 3.22Å; E413-Q459 PolarHBondContact OE2-OE1 3.03Å |
| 414 | R | 80 | Confident | 74 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52.3 | -49.9 | 167.9 | -179 | -171.2 | 70.1 | 149 | -15.5 | 111.6 | L410 I412 I416 S417 E418 L456 R511 D512 V579 E582 F583 | L410-R414 WeakPolarHBondContact O-CB 3.44Å; L410-R414 PolarHBondContact O-N 3.24Å; I412-R414 PolarHBondContact O-N 3.49Å; R414-I416 PolarHBondContact O-N 3.18Å; R414-I416 VanDerWaalsContact O-N 3.14Å; R414-S417 PolarHBondContact O-N 2.79Å; R414-S417 VanDerWaalsContact O-N 3.13Å; R414-E418 WeakPolarHBondContact CD-OE1 3.25Å; R414-E418 HydrophobicContact CG-CG 4.21Å; R414-E418 VanDerWaalsContact CG-OE1 3.29Å; R414-E418 WeakPolarHBondContact CG-OE1 3.44Å; R414-E418 IonicContact CZ-OE1 2.67Å; R414-E418 IonicContact NE-OE1 3.23Å; R414-E418 PolarHBondContact NE-OE1 2.95Å; R414-E418 IonicContact NH1-OE1 3.97Å; R414-E418 PolarHBondContact NH1-OE1 3.44Å; R414-E418 WeakPolarHBondContact O-CG 3.32Å; R414-E418 PolarHBondContact O-N 3.32Å; R414-L456 HydrophobicContact CB-CD2 4.45Å; R414-R511 VanDerWaalsContact NH2-NH2 3.2Å; R414-D512 IonicContact NH2-OD2 3.88Å; R414-D512 PolarHBondContact NH2-OD2 3.47Å; R414-V579 HydrophobicContact CB-CG1 3.92Å; R414-V579 WeakPolarHBondContact CD-O 3.33Å; R414-V579 HydrophobicContact CG-CG1 4.35Å; R414-V579 WeakPolarHBondContact CG-O 3.45Å; R414-E582 IonicContact CZ-OE1 3.22Å; R414-E582 IonicContact CZ-OE2 3.08Å; R414-E582 IonicContact NH1-OE1 3.37Å; R414-E582 PolarHBondContact NH1-OE1 2.86Å; R414-E582 IonicContact NH1-OE2 3.46Å; R414-E582 PolarHBondContact NH1-OE2 3.49Å; R414-E582 IonicContact NH2-OE1 3.24Å; R414-E582 PolarHBondContact NH2-OE1 3.39Å; R414-E582 IonicContact NH2-OE2 3.31Å; R414-E582 PolarHBondContact NH2-OE2 3.43Å; R414-F583 HydrophobicContact CG-CB 4.42Å |
| 415 | S | 77.2 | Confident | 76.1 | Confident | 13.5 Ų | 13.5 | 29.8 Ų | 29.8 | 9% | 0.094 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.1 | -10.4 | -177.6 | 140 | 0 | 0 | 0 | 0 | 114.6 | V411 I412 E413 R419 V508 R511 | V411-S415 WeakPolarHBondContact O-CB 3.22Å; V411-S415 PolarHBondContact O-N 3.17Å; V411-S415 VanDerWaalsContact O-N 3.08Å; I412-S415 CarbonylContact O-C 3.54Å; I412-S415 WeakPolarHBondContact O-CA 3.34Å; I412-S415 WeakPolarHBondContact O-CB 3.4Å; I412-S415 PolarHBondContact O-N 2.96Å; I412-S415 VanDerWaalsContact O-N 3.15Å; I412-S415 PolarHBondContact O-OG 3.38Å; E413-S415 VanDerWaalsContact C-N 3.32Å; E413-S415 PolarHBondContact O-N 3.23Å; S415-R419 WeakPolarHBondContact O-CG 3.36Å; S415-R419 PolarHBondContact O-NE 3.38Å; S415-V508 WeakPolarHBondContact OG-CG2 3.45Å; S415-R511 PolarHBondContact OG-NH1 3.09Å |
| 416 | I | 81.5 | Confident | 77.6 | Confident | 23 Ų | 23 | 28 Ų | 28 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -85.4 | -47.7 | 166.5 | -70.2 | 166.5 | 0 | 0 | 0 | 109 | P381 T382 I412 E413 R414 E418 R419 L491 I504 | P381-I416 HydrophobicContact CB-CG2 3.78Å; T382-I416 HydrophobicContact CG2-CD1 4.48Å; T382-I416 HydrophobicContact CG2-CG2 4.02Å; I412-I416 HydrophobicContact CG2-CD1 3.75Å; I412-I416 HydrophobicContact CG2-CG1 4.42Å; I412-I416 WeakPolarHBondContact O-CG1 3.24Å; I412-I416 PolarHBondContact O-N 3.05Å; E413-I416 WeakPolarHBondContact O-CB 3.42Å; E413-I416 PolarHBondContact O-N 3.33Å; E413-I416 VanDerWaalsContact O-N 3.11Å; R414-I416 PolarHBondContact O-N 3.18Å; R414-I416 VanDerWaalsContact O-N 3.14Å; I416-E418 VanDerWaalsContact C-N 3.29Å; I416-E418 PolarHBondContact O-N 3.48Å; I416-R419 WeakPolarHBondContact O-CB 3.36Å; I416-R419 WeakPolarHBondContact O-CG 3.44Å; I416-R419 PolarHBondContact O-N 3.16Å; I416-R419 VanDerWaalsContact O-N 3.09Å; I416-L491 HydrophobicContact CD1-CD2 4.35Å; I416-I504 HydrophobicContact CD1-CD1 4.22Å; I416-I504 HydrophobicContact CG1-CD1 4.48Å |
| 417 | S | 83 | Confident | 79.2 | Confident | 9.5 Ų | 9.5 | 23.7 Ų | 23.7 | 7% | 0.066 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.8 | -23.9 | -178.5 | -57 | 0 | 0 | 0 | 0 | 114.6 | E413 R414 R419 P420 Y448 | E413-S417 PolarHBondContact O-N 2.98Å; E413-S417 PolarHBondContact O-OG 3.24Å; R414-S417 PolarHBondContact O-N 2.79Å; R414-S417 VanDerWaalsContact O-N 3.13Å; S417-R419 VanDerWaalsContact C-N 3.29Å; S417-R419 PolarHBondContact O-N 2.81Å; S417-P420 WeakPolarHBondContact O-CD 3.35Å; S417-Y448 VanDerWaalsContact CA-OH 3.28Å; S417-Y448 WeakPolarHBondContact CA-OH 3.19Å; S417-Y448 PolarHBondContact O-OH 3.2Å; S417-Y448 VanDerWaalsContact O-OH 3.12Å |
| 418 | E | 84.9 | Confident | 80.6 | Confident | 2.5 Ų | 2.5 | 21.2 Ų | 21.2 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17.7 | 172.5 | -73.3 | -178.9 | -141.9 | 0 | 0 | 114 | R414 I416 F421 R422 R511 F583 T586 | R414-E418 WeakPolarHBondContact CD-OE1 3.25Å; R414-E418 HydrophobicContact CG-CG 4.21Å; R414-E418 VanDerWaalsContact CG-OE1 3.29Å; R414-E418 WeakPolarHBondContact CG-OE1 3.44Å; R414-E418 IonicContact CZ-OE1 2.67Å; R414-E418 IonicContact NE-OE1 3.23Å; R414-E418 PolarHBondContact NE-OE1 2.95Å; R414-E418 IonicContact NH1-OE1 3.97Å; R414-E418 PolarHBondContact NH1-OE1 3.44Å; R414-E418 WeakPolarHBondContact O-CG 3.32Å; R414-E418 PolarHBondContact O-N 3.32Å; I416-E418 VanDerWaalsContact C-N 3.29Å; I416-E418 PolarHBondContact O-N 3.48Å; E418-F421 PolarHBondContact O-N 2.83Å; E418-R422 WeakPolarHBondContact O-CG 3.44Å; E418-R422 PolarHBondContact O-N 3.15Å; E418-R422 IonicContact OE2-CZ 3.32Å; E418-R422 VanDerWaalsContact OE2-CZ 3.29Å; E418-R422 IonicContact OE2-NE 3.78Å; E418-R422 PolarHBondContact OE2-NE 3.16Å; E418-R422 VanDerWaalsContact OE2-NE 3.14Å; E418-R422 IonicContact OE2-NH2 3.31Å; E418-R422 PolarHBondContact OE2-NH2 2.93Å; E418-R511 IonicContact OE1-CZ 3.89Å; E418-R511 VanDerWaalsContact OE1-CZ 3.22Å; E418-R511 IonicContact OE1-NH1 3.07Å; E418-R511 PolarHBondContact OE1-NH1 3.44Å; E418-R511 IonicContact OE1-NH2 3.14Å; E418-R511 PolarHBondContact OE1-NH2 2.96Å; E418-R511 IonicContact OE2-CZ 2.73Å; E418-R511 IonicContact OE2-NH1 2.9Å; E418-R511 PolarHBondContact OE2-NH1 3.47Å; E418-R511 IonicContact OE2-NH2 3.06Å; E418-R511 PolarHBondContact OE2-NH2 3.04Å; E418-F583 HydrophobicContact CG-CD2 4.41Å; E418-T586 HydrophobicContact CB-CG2 4.18Å; E418-T586 HydrophobicContact CG-CG2 4.03Å |
| 419 | R | 86.4 | Confident | 81.5 | Confident | 31.5 Ų | 31.5 | 24.6 Ų | 24.6 | 12% | 0.119 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | -170.8 | -61.7 | 176.6 | -176.9 | -170.9 | -4.3 | 113.6 | L294 L384 S415 I416 S417 F421 R422 I423 | L294-R419 HydrophobicContact CD1-CB 4.42Å; L294-R419 HydrophobicContact CD1-CG 4.23Å; L384-R419 HydrophobicContact CD1-CB 3.95Å; L384-R419 HydrophobicContact CD1-CG 4.49Å; S415-R419 WeakPolarHBondContact O-CG 3.36Å; S415-R419 PolarHBondContact O-NE 3.38Å; I416-R419 WeakPolarHBondContact O-CB 3.36Å; I416-R419 WeakPolarHBondContact O-CG 3.44Å; I416-R419 PolarHBondContact O-N 3.16Å; I416-R419 VanDerWaalsContact O-N 3.09Å; S417-R419 VanDerWaalsContact C-N 3.29Å; S417-R419 PolarHBondContact O-N 2.81Å; R419-F421 PolarHBondContact O-N 3.36Å; R419-R422 PolarHBondContact O-N 3.08Å; R419-I423 PolarHBondContact O-N 3.01Å; R419-I423 VanDerWaalsContact O-N 3.13Å |
| 420 | P | 88.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 179.2 | -26.2 | 37.9 | 0 | 0 | 0 | 112.2 | L377 I378 P381 S417 R422 I423 L424 Y448 | L377-P420 HydrophobicContact CD1-CG 4.07Å; L377-P420 HydrophobicContact CG-CB 4.17Å; L377-P420 HydrophobicContact CG-CG 4.12Å; I378-P420 HydrophobicContact CG1-CB 4.37Å; P381-P420 HydrophobicContact CB-CG 4.13Å; P381-P420 HydrophobicContact CG-CG 4.03Å; S417-P420 WeakPolarHBondContact O-CD 3.35Å; P420-R422 PolarHBondContact O-N 2.99Å; P420-I423 PolarHBondContact O-N 3.22Å; P420-L424 VanDerWaalsContact O-CB 3.29Å; P420-L424 WeakPolarHBondContact O-CB 3.26Å; P420-L424 WeakPolarHBondContact O-CD1 3.42Å; P420-L424 VanDerWaalsContact O-CG 3.25Å; P420-L424 WeakPolarHBondContact O-CG 3.4Å; P420-L424 PolarHBondContact O-N 2.88Å; P420-Y448 HydrophobicContact CB-CE1 4.1Å; P420-Y448 HydrophobicContact CG-CE1 3.83Å |
| 421 | F | 87.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.2 | -58.9 | -70.3 | 0 | 0 | 0 | 112.6 | E418 R419 I423 L424 V425 I445 Y448 T449 F583 T586 S587 F590 | E418-F421 PolarHBondContact O-N 2.83Å; R419-F421 PolarHBondContact O-N 3.36Å; F421-I423 VanDerWaalsContact C-N 3.3Å; F421-I423 PolarHBondContact O-N 3.33Å; F421-L424 PolarHBondContact O-N 2.91Å; F421-V425 VanDerWaalsContact O-CG2 3.32Å; F421-V425 WeakPolarHBondContact O-CG2 3.33Å; F421-V425 PolarHBondContact O-N 3.07Å; F421-I445 HydrophobicContact CE1-CG2 3.94Å; F421-Y448 HydrophobicContact CD2-CE1 4.47Å; F421-Y448 AromaticContact CE2-CD1 3.93Å; F421-Y448 HydrophobicContact CE2-CD1 3.93Å; F421-Y448 AromaticContact CE2-CE1 3.62Å; F421-Y448 HydrophobicContact CE2-CE1 3.62Å; F421-Y448 AromaticContact CZ-CD1 3.66Å; F421-Y448 HydrophobicContact CZ-CD1 3.66Å; F421-Y448 AromaticContact CZ-CE1 3.87Å; F421-Y448 HydrophobicContact CZ-CE1 3.87Å; F421-T449 HydrophobicContact CE1-CG2 3.48Å; F421-T449 VanDerWaalsContact CE1-CG2 3.46Å; F421-T449 HydrophobicContact CZ-CG2 3.34Å; F421-F583 HydrophobicContact CD2-CE2 4.33Å; F421-F583 AromaticContact CE2-CE2 3.65Å; F421-F583 HydrophobicContact CE2-CE2 3.65Å; F421-F583 AromaticContact CE2-CZ 3.74Å; F421-F583 HydrophobicContact CE2-CZ 3.74Å; F421-F583 HydrophobicContact CZ-CZ 4.26Å; F421-T586 HydrophobicContact CB-CG2 4.17Å; F421-S587 WeakPolarHBondContact CE2-OG 3.2Å; F421-S587 WeakPolarHBondContact CZ-OG 3.33Å; F421-F590 HydrophobicContact CB-CB 4.27Å; F421-F590 HydrophobicContact CD1-CB 3.9Å; F421-F590 AromaticContact CD1-CD1 3.95Å; F421-F590 HydrophobicContact CD1-CD1 3.98Å; F421-F590 HydrophobicContact CD1-CD2 4.49Å; F421-F590 AromaticContact CD1-CG 3.87Å; F421-F590 HydrophobicContact CD1-CG 3.87Å; F421-F590 HydrophobicContact CE1-CD1 4.3Å |
| 422 | R | 86.4 | Confident | 82.6 | Confident | 91 Ų | 91 | 29.8 Ų | 29.8 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.1 | -33.6 | 178.7 | -69.1 | 173 | 178.7 | -134.7 | 3.9 | 113 | L294 E418 R419 P420 R511 T586 | L294-R422 HydrophobicContact CD2-CB 3.62Å; E418-R422 WeakPolarHBondContact O-CG 3.44Å; E418-R422 PolarHBondContact O-N 3.15Å; E418-R422 IonicContact OE2-CZ 3.32Å; E418-R422 VanDerWaalsContact OE2-CZ 3.29Å; E418-R422 IonicContact OE2-NE 3.78Å; E418-R422 PolarHBondContact OE2-NE 3.16Å; E418-R422 VanDerWaalsContact OE2-NE 3.14Å; E418-R422 IonicContact OE2-NH2 3.31Å; E418-R422 PolarHBondContact OE2-NH2 2.93Å; R419-R422 PolarHBondContact O-N 3.08Å; P420-R422 PolarHBondContact O-N 2.99Å; R422-R511 VanDerWaalsContact NH2-NH1 3.17Å; R422-T586 HydrophobicContact CG-CG2 4.25Å |
| 423 | I | 88 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74.8 | -45.9 | 174.2 | -77.4 | 164.9 | 0 | 0 | 0 | 110.7 | L290 L293 L294 L377 L384 R419 P420 F421 V425 G426 L427 | L290-I423 HydrophobicContact CB-CD1 4.22Å; L290-I423 HydrophobicContact CB-CG2 4.08Å; L290-I423 HydrophobicContact CD1-CG2 4.27Å; L290-I423 HydrophobicContact CD2-CG2 4.19Å; L290-I423 HydrophobicContact CG-CG2 4.42Å; L290-I423 WeakPolarHBondContact O-CD1 3.4Å; L290-I423 WeakPolarHBondContact O-CG1 3.38Å; L293-I423 HydrophobicContact CB-CG1 4.31Å; L293-I423 HydrophobicContact CD1-CG2 4.15Å; L294-I423 HydrophobicContact CD1-CD1 4.26Å; L294-I423 HydrophobicContact CD2-CD1 4.11Å; L294-I423 HydrophobicContact CD2-CG1 3.82Å; L294-I423 HydrophobicContact CG-CD1 4.01Å; L294-I423 HydrophobicContact CG-CG1 3.99Å; L377-I423 HydrophobicContact CD1-CD1 4.33Å; L377-I423 HydrophobicContact CD2-CB 4.02Å; L377-I423 HydrophobicContact CD2-CD1 3.63Å; L377-I423 HydrophobicContact CD2-CG1 4.42Å; L377-I423 HydrophobicContact CD2-CG2 3.69Å; L384-I423 HydrophobicContact CD1-CD1 3.56Å; L384-I423 HydrophobicContact CD2-CD1 4.13Å; L384-I423 HydrophobicContact CG-CD1 4.5Å; R419-I423 PolarHBondContact O-N 3.01Å; R419-I423 VanDerWaalsContact O-N 3.13Å; P420-I423 PolarHBondContact O-N 3.22Å; F421-I423 VanDerWaalsContact C-N 3.3Å; F421-I423 PolarHBondContact O-N 3.33Å; I423-V425 PolarHBondContact O-N 3.12Å; I423-G426 PolarHBondContact O-N 2.92Å; I423-L427 HydrophobicContact CG2-CD1 4.08Å; I423-L427 HydrophobicContact CG2-CG 4.48Å; I423-L427 WeakPolarHBondContact O-CG 3.42Å; I423-L427 PolarHBondContact O-N 3.29Å; I423-L427 VanDerWaalsContact O-N 3.09Å |
| 424 | L | 88.3 | Confident | 83.4 | Confident | 1.5 Ų | 1.5 | 27 Ų | 27 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 179.9 | -79.2 | 164.2 | 0 | 0 | 0 | 112.7 | V374 P420 F421 G426 L427 I428 L437 I445 F590 | V374-L424 HydrophobicContact CG1-CD2 3.69Å; V374-L424 HydrophobicContact CG1-CG 4.31Å; P420-L424 VanDerWaalsContact O-CB 3.29Å; P420-L424 WeakPolarHBondContact O-CB 3.26Å; P420-L424 WeakPolarHBondContact O-CD1 3.42Å; P420-L424 VanDerWaalsContact O-CG 3.25Å; P420-L424 WeakPolarHBondContact O-CG 3.4Å; P420-L424 PolarHBondContact O-N 2.88Å; F421-L424 PolarHBondContact O-N 2.91Å; L424-G426 VanDerWaalsContact C-N 3.35Å; L424-G426 PolarHBondContact O-N 3.19Å; L424-L427 PolarHBondContact O-N 2.91Å; L424-L427 VanDerWaalsContact O-N 3.09Å; L424-I428 WeakPolarHBondContact O-CG1 3.32Å; L424-I428 PolarHBondContact O-N 3.22Å; L424-L437 HydrophobicContact CD2-CD2 4.08Å; L424-I445 HydrophobicContact CD1-CD1 3.71Å; L424-I445 HydrophobicContact CD1-CG1 3.87Å; L424-I445 HydrophobicContact CD1-CG2 4.33Å; L424-I445 HydrophobicContact CD2-CD1 3.84Å; L424-I445 HydrophobicContact CG-CD1 4.45Å; L424-F590 HydrophobicContact CB-CD2 3.75Å; L424-F590 HydrophobicContact CB-CE2 3.66Å; L424-F590 HydrophobicContact CD1-CD2 4.39Å; L424-F590 HydrophobicContact CD1-CE2 3.97Å; L424-F590 HydrophobicContact CD1-CZ 4.44Å; L424-F590 HydrophobicContact CD2-CE2 4.4Å; L424-F590 HydrophobicContact CG-CE2 4.25Å |
| 425 | V | 86.7 | Confident | 83.3 | Confident | 26.5 Ų | 26.5 | 31.5 Ų | 31.5 | 16% | 0.161 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.9 | -53 | 173.4 | 166.8 | 0 | 0 | 0 | 0 | 110.2 | F421 I423 L427 I428 D429 L589 F590 | F421-V425 VanDerWaalsContact O-CG2 3.32Å; F421-V425 WeakPolarHBondContact O-CG2 3.33Å; F421-V425 PolarHBondContact O-N 3.07Å; I423-V425 PolarHBondContact O-N 3.12Å; V425-L427 PolarHBondContact O-N 3.28Å; V425-L427 VanDerWaalsContact O-N 3.08Å; V425-I428 PolarHBondContact O-N 3.15Å; V425-I428 VanDerWaalsContact O-N 3.12Å; V425-D429 VanDerWaalsContact O-CG 3.24Å; V425-D429 PolarHBondContact O-N 3.13Å; V425-D429 VanDerWaalsContact O-N 3.08Å; V425-L589 HydrophobicContact CG2-CD2 4.35Å; V425-F590 HydrophobicContact CG2-CB 4.04Å; V425-F590 HydrophobicContact CG2-CD2 4.4Å |
| 426 | G | 84.7 | Confident | 83.4 | Confident | 16.5 Ų | 16.5 | 31.5 Ų | 31.5 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.3 | -13.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F305 I423 L424 | F305-G426 VanDerWaalsContact CZ-O 3.27Å; F305-G426 WeakPolarHBondContact CZ-O 3.41Å; I423-G426 PolarHBondContact O-N 2.92Å; L424-G426 VanDerWaalsContact C-N 3.35Å; L424-G426 PolarHBondContact O-N 3.19Å |
| 427 | L | 87.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -89.4 | -34.7 | 170.5 | -68.6 | 175.6 | 0 | 0 | 0 | 112.3 | L290 L293 F305 L370 V374 I423 L424 V425 H430 L437 | L290-L427 HydrophobicContact CD2-CD1 4.07Å; L290-L427 HydrophobicContact CD2-CD2 4Å; L290-L427 HydrophobicContact CD2-CG 4.44Å; L293-L427 HydrophobicContact CD1-CD2 3.77Å; L293-L427 HydrophobicContact CD1-CG 3.94Å; F305-L427 HydrophobicContact CE1-CD2 3.78Å; F305-L427 HydrophobicContact CZ-CD2 4.06Å; L370-L427 HydrophobicContact CD1-CD1 4.17Å; L370-L427 HydrophobicContact CD1-CD2 4.3Å; L370-L427 HydrophobicContact CD2-CD2 4.43Å; V374-L427 HydrophobicContact CG2-CD1 3.71Å; I423-L427 HydrophobicContact CG2-CD1 4.08Å; I423-L427 HydrophobicContact CG2-CG 4.48Å; I423-L427 WeakPolarHBondContact O-CG 3.42Å; I423-L427 PolarHBondContact O-N 3.29Å; I423-L427 VanDerWaalsContact O-N 3.09Å; L424-L427 PolarHBondContact O-N 2.91Å; L424-L427 VanDerWaalsContact O-N 3.09Å; V425-L427 PolarHBondContact O-N 3.28Å; V425-L427 VanDerWaalsContact O-N 3.08Å; L427-H430 PolarHBondContact O-N 3.18Å; L427-L437 HydrophobicContact CB-CD2 4.1Å; L427-L437 HydrophobicContact CD1-CD1 4.3Å; L427-L437 HydrophobicContact CD1-CD2 3.74Å |
| 428 | I | 84.8 | Confident | 83.6 | Confident | 21.5 Ų | 21.5 | 30.4 Ų | 30.4 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.3 | -29.8 | -179.4 | -71.3 | 167 | 0 | 0 | 0 | 111.7 | L424 V425 H430 L438 F590 | L424-I428 WeakPolarHBondContact O-CG1 3.32Å; L424-I428 PolarHBondContact O-N 3.22Å; V425-I428 PolarHBondContact O-N 3.15Å; V425-I428 VanDerWaalsContact O-N 3.12Å; I428-H430 CarbonylContact O-C 3.52Å; I428-H430 PolarHBondContact O-N 3.19Å; I428-L438 HydrophobicContact CD1-CD1 4.03Å; I428-L438 HydrophobicContact CD1-CD2 3.84Å; I428-L438 HydrophobicContact CD1-CG 4.07Å; I428-L438 HydrophobicContact CG1-CD1 4.25Å; I428-L438 HydrophobicContact CG1-CG 4.35Å; I428-F590 HydrophobicContact CD1-CD2 4.06Å; I428-F590 HydrophobicContact CD1-CE2 3.43Å; I428-F590 VanDerWaalsContact CD1-CE2 3.46Å; I428-F590 HydrophobicContact CD1-CZ 4.25Å |
| 429 | D | 81.3 | Confident | 83.3 | Confident | 99.5 Ų | 99.5 | 34.6 Ų | 34.6 | 53% | 0.532 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -14 | 171.9 | -64.6 | -20.8 | 0 | 0 | 0 | 113.3 | V425 | V425-D429 VanDerWaalsContact O-CG 3.24Å; V425-D429 PolarHBondContact O-N 3.13Å; V425-D429 VanDerWaalsContact O-N 3.08Å |
| 430 | H | 82.5 | Confident | 83 | Confident | 71 Ų | 71 | 37 Ų | 37 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -107.6 | 103.5 | 166.6 | -72.6 | -58.1 | 0 | 0 | 0 | 111.4 | F305 L427 I428 D432 I433 G434 | F305-H430 AromaticContact CD1-CD2 3.77Å; F305-H430 AromaticContact CD2-CD2 3.57Å; F305-H430 AromaticContact CD2-NE2 3.34Å; F305-H430 VanDerWaalsContact CD2-NE2 3.34Å; F305-H430 WeakPolarHBondContact CD2-NE2 3.19Å; F305-H430 AromaticContact CE1-CD2 3.67Å; F305-H430 AromaticContact CE2-CD2 3.47Å; F305-H430 VanDerWaalsContact CE2-CD2 3.47Å; F305-H430 WeakPolarHBondContact CE2-CD2 3.41Å; F305-H430 AromaticContact CE2-NE2 3.5Å; F305-H430 WeakPolarHBondContact CE2-NE2 3.26Å; F305-H430 AromaticContact CG-CD2 3.75Å; F305-H430 AromaticContact CG-NE2 3.82Å; F305-H430 AromaticContact CZ-CD2 3.54Å; L427-H430 PolarHBondContact O-N 3.18Å; I428-H430 CarbonylContact O-C 3.52Å; I428-H430 PolarHBondContact O-N 3.19Å; H430-D432 VanDerWaalsContact C-N 3.32Å; H430-D432 PolarHBondContact O-N 3.26Å; H430-I433 HydrophobicContact CB-CB 4.39Å; H430-I433 HydrophobicContact CB-CD1 4.3Å; H430-I433 HydrophobicContact CB-CG1 4.46Å; H430-I433 PolarHBondContact O-N 3.17Å; H430-G434 PolarHBondContact O-N 3.34Å |
| 431 | P | 74.2 | Confident | 82.9 | Confident | 74.5 Ų | 74.5 | 37 Ų | 37 | 48% | 0.484 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60 | -37.8 | -170.8 | 21.5 | -33.1 | 0 | 0 | 0 | 113.7 | I433 G434 H435 | P431-I433 PolarHBondContact O-N 3.36Å; P431-G434 PolarHBondContact O-N 3.38Å; P431-H435 PolarHBondContact O-CD2 3.42Å; P431-H435 VanDerWaalsContact O-CD2 3.25Å; P431-H435 PolarHBondContact O-N 3.17Å |
| 432 | D | 76.3 | Confident | 82.9 | Confident | 67 Ų | 67 | 36.9 Ų | 36.9 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.7 | -25.4 | 176.7 | -39.7 | -31.8 | 0 | 0 | 0 | 113.7 | K309 H430 | K309-D432 IonicContact NZ-OD2 3.99Å; K309-D432 PolarHBondContact NZ-OD2 3.28Å; H430-D432 VanDerWaalsContact C-N 3.32Å; H430-D432 PolarHBondContact O-N 3.26Å |
| 433 | I | 82.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -101.8 | -44.6 | -178.2 | -63.5 | 178.1 | 0 | 0 | 0 | 109.8 | F305 F362 L370 H430 P431 H435 L437 | F305-I433 HydrophobicContact CD1-CD1 3.58Å; F305-I433 HydrophobicContact CE1-CD1 3.85Å; F362-I433 HydrophobicContact CD2-CG1 4.38Å; F362-I433 HydrophobicContact CE1-CB 4.46Å; F362-I433 HydrophobicContact CE1-CG1 4.16Å; F362-I433 HydrophobicContact CE2-CD1 4.34Å; F362-I433 HydrophobicContact CE2-CG1 3.96Å; F362-I433 HydrophobicContact CE2-CG2 4.39Å; F362-I433 HydrophobicContact CZ-CB 4.14Å; F362-I433 HydrophobicContact CZ-CG1 3.85Å; F362-I433 HydrophobicContact CZ-CG2 3.89Å; L370-I433 HydrophobicContact CD2-CG2 3.51Å; H430-I433 HydrophobicContact CB-CB 4.39Å; H430-I433 HydrophobicContact CB-CD1 4.3Å; H430-I433 HydrophobicContact CB-CG1 4.46Å; H430-I433 PolarHBondContact O-N 3.17Å; P431-I433 PolarHBondContact O-N 3.36Å; I433-H435 PolarHBondContact O-N 3.37Å; I433-L437 VanDerWaalsContact O-CB 3.25Å; I433-L437 WeakPolarHBondContact O-CB 3.4Å; I433-L437 PolarHBondContact O-N 3.1Å |
| 434 | G | 79.7 | Confident | 82.7 | Confident | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.8 | -53.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | H430 P431 L437 L438 | H430-G434 PolarHBondContact O-N 3.34Å; P431-G434 PolarHBondContact O-N 3.38Å; G434-L437 PolarHBondContact O-N 3.38Å; G434-L438 WeakPolarHBondContact O-CB 3.32Å; G434-L438 WeakPolarHBondContact O-CG 3.46Å; G434-L438 PolarHBondContact O-N 3.12Å |
| 435 | H | 78.2 | Confident | 82.7 | Confident | 107.5 Ų | 107.5 | 34 Ų | 34 | 50% | 0.498 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.2 | -54.8 | -174.7 | -65.8 | -67.5 | 0 | 0 | 0 | 112.4 | P431 I433 L437 L438 D439 | P431-H435 PolarHBondContact O-CD2 3.42Å; P431-H435 VanDerWaalsContact O-CD2 3.25Å; P431-H435 PolarHBondContact O-N 3.17Å; I433-H435 PolarHBondContact O-N 3.37Å; H435-L437 PolarHBondContact O-N 2.97Å; H435-L437 VanDerWaalsContact O-N 3.14Å; H435-L438 PolarHBondContact O-N 2.99Å; H435-D439 PolarHBondContact O-N 3.29Å; H435-D439 VanDerWaalsContact O-N 3.1Å |
| 436 | G | 77.9 | Confident | 82.7 | Confident | 14.5 Ų | 14.5 | 32.7 Ų | 32.7 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -15.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q367 N440 | Q367-G436 PolarHBondContact NE2-O 3.4Å; G436-N440 PolarHBondContact O-ND2 3.23Å |
| 437 | L | 84.4 | Confident | 82.8 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -84.2 | -42.9 | 171.1 | -174 | 98.6 | 0 | 0 | 0 | 111.4 | L370 V374 L424 L427 I433 G434 H435 N440 L441 | L370-L437 HydrophobicContact CD2-CD1 4.33Å; L370-L437 HydrophobicContact CD2-CD2 4.37Å; L370-L437 HydrophobicContact CG-CD1 4.1Å; V374-L437 HydrophobicContact CB-CD1 4.44Å; V374-L437 HydrophobicContact CG2-CD1 4.33Å; V374-L437 HydrophobicContact CG2-CD2 4.4Å; L424-L437 HydrophobicContact CD2-CD2 4.08Å; L427-L437 HydrophobicContact CB-CD2 4.1Å; L427-L437 HydrophobicContact CD1-CD1 4.3Å; L427-L437 HydrophobicContact CD1-CD2 3.74Å; I433-L437 VanDerWaalsContact O-CB 3.25Å; I433-L437 WeakPolarHBondContact O-CB 3.4Å; I433-L437 PolarHBondContact O-N 3.1Å; G434-L437 PolarHBondContact O-N 3.38Å; H435-L437 PolarHBondContact O-N 2.97Å; H435-L437 VanDerWaalsContact O-N 3.14Å; L437-N440 PolarHBondContact O-N 3.21Å; L437-L441 HydrophobicContact CD1-CD1 3.87Å; L437-L441 VanDerWaalsContact CD1-CD1 3.49Å; L437-L441 HydrophobicContact CD1-CG 4.45Å; L437-L441 HydrophobicContact CD2-CD1 3.88Å; L437-L441 HydrophobicContact CG-CD1 3.85Å; L437-L441 WeakPolarHBondContact O-CB 3.28Å; L437-L441 PolarHBondContact O-N 2.96Å |
| 438 | L | 84.1 | Confident | 82.8 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | 178.3 | -79 | 171.5 | 0 | 0 | 0 | 112.3 | I428 G434 H435 N440 L441 L442 F590 I594 F598 | I428-L438 HydrophobicContact CD1-CD1 4.03Å; I428-L438 HydrophobicContact CD1-CD2 3.84Å; I428-L438 HydrophobicContact CD1-CG 4.07Å; I428-L438 HydrophobicContact CG1-CD1 4.25Å; I428-L438 HydrophobicContact CG1-CG 4.35Å; G434-L438 WeakPolarHBondContact O-CB 3.32Å; G434-L438 WeakPolarHBondContact O-CG 3.46Å; G434-L438 PolarHBondContact O-N 3.12Å; H435-L438 PolarHBondContact O-N 2.99Å; L438-N440 PolarHBondContact O-N 3.22Å; L438-L441 PolarHBondContact O-N 3.08Å; L438-L441 VanDerWaalsContact O-N 3.11Å; L438-L442 VanDerWaalsContact O-CB 3.26Å; L438-L442 WeakPolarHBondContact O-CB 3.37Å; L438-L442 PolarHBondContact O-N 3.43Å; L438-F590 HydrophobicContact CD2-CE2 4.48Å; L438-F590 HydrophobicContact CD2-CZ 4.12Å; L438-I594 HydrophobicContact CD1-CD1 4.41Å; L438-I594 HydrophobicContact CD1-CG1 4.2Å; L438-I594 HydrophobicContact CD2-CD1 3.8Å; L438-I594 HydrophobicContact CD2-CG1 4.41Å; L438-F598 HydrophobicContact CB-CE1 3.96Å; L438-F598 HydrophobicContact CB-CZ 4.17Å; L438-F598 HydrophobicContact CD1-CE1 4.45Å |
| 439 | D | 79.1 | Confident | 83 | Confident | 90 Ų | 90 | 33.9 Ų | 33.9 | 48% | 0.481 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -49.9 | -36.1 | 177.5 | -72.9 | -34.3 | 0 | 0 | 0 | 113.2 | H435 F598 | H435-D439 PolarHBondContact O-N 3.29Å; H435-D439 VanDerWaalsContact O-N 3.1Å; D439-F598 VanDerWaalsContact OD1-CE2 3.29Å; D439-F598 WeakPolarHBondContact OD1-CE2 3.26Å; D439-F598 VanDerWaalsContact OD1-CZ 3.27Å; D439-F598 WeakPolarHBondContact OD1-CZ 3.29Å |
| 440 | N | 80.7 | Confident | 83.2 | Confident | 81 Ų | 81 | 32.2 Ų | 32.2 | 43% | 0.433 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -98.5 | -12.9 | -173.3 | -69.5 | -73.1 | 0 | 0 | 0 | 114.3 | T371 R375 G436 L437 L438 | T371-N440 HydrophobicContact CG2-CB 3.71Å; R375-N440 PolarHBondContact NH2-O 2.98Å; G436-N440 PolarHBondContact O-ND2 3.23Å; L437-N440 PolarHBondContact O-N 3.21Å; L438-N440 PolarHBondContact O-N 3.22Å |
| 441 | L | 86 | Confident | 83.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -129.8 | -12.3 | -171.7 | -63 | -178.3 | 0 | 0 | 0 | 114.8 | T371 V374 R375 L437 L438 L443 D444 I445 | T371-L441 HydrophobicContact CG2-CD1 4.4Å; T371-L441 HydrophobicContact CG2-CD2 3.9Å; T371-L441 HydrophobicContact CG2-CG 4.04Å; V374-L441 HydrophobicContact CB-CD1 3.65Å; V374-L441 HydrophobicContact CG1-CD1 3.52Å; R375-L441 HydrophobicContact CB-CD2 3.89Å; R375-L441 HydrophobicContact CG-CD2 4.49Å; L437-L441 HydrophobicContact CD1-CD1 3.87Å; L437-L441 VanDerWaalsContact CD1-CD1 3.49Å; L437-L441 HydrophobicContact CD1-CG 4.45Å; L437-L441 HydrophobicContact CD2-CD1 3.88Å; L437-L441 HydrophobicContact CG-CD1 3.85Å; L437-L441 WeakPolarHBondContact O-CB 3.28Å; L437-L441 PolarHBondContact O-N 2.96Å; L438-L441 PolarHBondContact O-N 3.08Å; L438-L441 VanDerWaalsContact O-N 3.11Å; L441-L443 PolarHBondContact O-N 3.13Å; L441-L443 VanDerWaalsContact O-N 3.15Å; L441-D444 VanDerWaalsContact CD2-OD2 3.29Å; L441-D444 WeakPolarHBondContact CD2-OD2 3.36Å; L441-D444 WeakPolarHBondContact O-CA 3.29Å; L441-D444 WeakPolarHBondContact O-CB 3.37Å; L441-D444 PolarHBondContact O-N 3.32Å; L441-I445 HydrophobicContact CB-CD1 3.99Å; L441-I445 HydrophobicContact CB-CG1 4.42Å; L441-I445 VanDerWaalsContact O-CG1 3.25Å; L441-I445 WeakPolarHBondContact O-CG1 3.39Å; L441-I445 PolarHBondContact O-N 3.25Å |
| 442 | L | 86.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.2 | -36.5 | -177.6 | 179.2 | 57.1 | 0 | 0 | 0 | 112.1 | L438 I445 M446 I594 F598 L599 F602 | L438-L442 VanDerWaalsContact O-CB 3.26Å; L438-L442 WeakPolarHBondContact O-CB 3.37Å; L438-L442 PolarHBondContact O-N 3.43Å; L442-I445 PolarHBondContact O-N 3.21Å; L442-M446 HydrophobicContact CD1-CG 4.01Å; L442-M446 HydrophobicContact CD1-SD 3.93Å; L442-M446 HydrophobicContact CD2-SD 4.49Å; L442-M446 HydrophobicContact CG-CG 4.43Å; L442-M446 HydrophobicContact CG-SD 3.83Å; L442-M446 WeakPolarHBondContact O-CB 3.25Å; L442-M446 WeakPolarHBondContact O-CG 3.49Å; L442-M446 PolarHBondContact O-N 3.19Å; L442-I594 HydrophobicContact CD1-CD1 4.13Å; L442-F598 HydrophobicContact CD2-CD1 4.37Å; L442-F598 HydrophobicContact CD2-CE1 3.87Å; L442-L599 HydrophobicContact CD1-CD1 4.19Å; L442-L599 HydrophobicContact CD2-CD1 4.05Å; L442-F602 HydrophobicContact CB-CE1 4.17Å; L442-F602 HydrophobicContact CB-CE2 4.38Å; L442-F602 HydrophobicContact CB-CZ 4.04Å; L442-F602 HydrophobicContact CD2-CB 4.03Å; L442-F602 HydrophobicContact CD2-CD1 3.61Å; L442-F602 HydrophobicContact CD2-CD2 4.14Å; L442-F602 HydrophobicContact CD2-CE1 4.01Å; L442-F602 HydrophobicContact CD2-CE2 4.49Å; L442-F602 HydrophobicContact CD2-CG 3.67Å; L442-F602 HydrophobicContact CD2-CZ 4.42Å; L442-F602 HydrophobicContact CG-CD1 4.02Å; L442-F602 HydrophobicContact CG-CE1 3.93Å; L442-F602 HydrophobicContact CG-CG 4.45Å; L442-F602 HydrophobicContact CG-CZ 4.31Å |
| 443 | L | 85.8 | Confident | 84.2 | Confident | 27 Ų | 27 | 28.8 Ų | 28.8 | 14% | 0.141 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 173.3 | -163.5 | 73 | 0 | 0 | 0 | 112.8 | L441 I445 M446 W447 F602 Q606 L636 L638 W643 | L441-L443 PolarHBondContact O-N 3.13Å; L441-L443 VanDerWaalsContact O-N 3.15Å; L443-I445 VanDerWaalsContact C-N 3.3Å; L443-I445 PolarHBondContact O-N 2.9Å; L443-M446 PolarHBondContact O-N 3.44Å; L443-W447 PolarHBondContact O-N 3.01Å; L443-F602 HydrophobicContact CB-CE1 4.46Å; L443-F602 HydrophobicContact CB-CZ 4.12Å; L443-F602 HydrophobicContact CD1-CE1 4.19Å; L443-F602 HydrophobicContact CD1-CZ 4.36Å; L443-Q606 HydrophobicContact CD1-CG 4.04Å; L443-L636 WeakPolarHBondContact CD2-O 3.43Å; L443-L638 HydrophobicContact CD1-CD1 3.88Å; L443-L638 HydrophobicContact CD1-CG 4.36Å; L443-L638 HydrophobicContact CD2-CD1 3.52Å; L443-L638 HydrophobicContact CG-CD1 3.91Å; L443-L638 VanDerWaalsContact CG-CD1 3.49Å; L443-W643 HydrophobicContact CD1-CE3 4.01Å; L443-W643 HydrophobicContact CD1-CH2 3.85Å; L443-W643 HydrophobicContact CD1-CZ3 3.46Å; L443-W643 VanDerWaalsContact CD1-CZ3 3.46Å; L443-W643 HydrophobicContact CG-CZ3 4.45Å |
| 444 | D | 85.3 | Confident | 84.3 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.7 | -62 | -20.6 | 0 | 0 | 0 | 110.2 | R375 I378 L441 Y448 L636 | R375-D444 IonicContact CZ-OD2 3.21Å; R375-D444 IonicContact NE-OD2 3.68Å; R375-D444 PolarHBondContact NE-OD2 3.48Å; R375-D444 IonicContact NH2-OD2 2.78Å; I378-D444 HydrophobicContact CD1-CB 4.37Å; I378-D444 HydrophobicContact CG2-CB 4.43Å; L441-D444 VanDerWaalsContact CD2-OD2 3.29Å; L441-D444 WeakPolarHBondContact CD2-OD2 3.36Å; L441-D444 WeakPolarHBondContact O-CA 3.29Å; L441-D444 WeakPolarHBondContact O-CB 3.37Å; L441-D444 PolarHBondContact O-N 3.32Å; D444-Y448 VanDerWaalsContact O-CB 3.24Å; D444-Y448 WeakPolarHBondContact O-CB 3.39Å; D444-Y448 PolarHBondContact O-N 3.25Å; D444-L636 WeakPolarHBondContact OD1-CB 3.27Å; D444-L636 PolarHBondContact OD1-N 3.38Å |
| 445 | I | 87.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.4 | -45.7 | 179.2 | -62 | 161.2 | 0 | 0 | 0 | 111.4 | I378 F421 L424 L441 L442 L443 Y448 T449 F590 | I378-I445 HydrophobicContact CD1-CD1 4.36Å; I378-I445 HydrophobicContact CD1-CG1 3.53Å; I378-I445 HydrophobicContact CG1-CG1 4.43Å; F421-I445 HydrophobicContact CE1-CG2 3.94Å; L424-I445 HydrophobicContact CD1-CD1 3.71Å; L424-I445 HydrophobicContact CD1-CG1 3.87Å; L424-I445 HydrophobicContact CD1-CG2 4.33Å; L424-I445 HydrophobicContact CD2-CD1 3.84Å; L424-I445 HydrophobicContact CG-CD1 4.45Å; L441-I445 HydrophobicContact CB-CD1 3.99Å; L441-I445 HydrophobicContact CB-CG1 4.42Å; L441-I445 VanDerWaalsContact O-CG1 3.25Å; L441-I445 WeakPolarHBondContact O-CG1 3.39Å; L441-I445 PolarHBondContact O-N 3.25Å; L442-I445 PolarHBondContact O-N 3.21Å; L443-I445 VanDerWaalsContact C-N 3.3Å; L443-I445 PolarHBondContact O-N 2.9Å; I445-Y448 WeakPolarHBondContact O-CB 3.44Å; I445-Y448 PolarHBondContact O-N 3.25Å; I445-Y448 VanDerWaalsContact O-N 3.16Å; I445-T449 WeakPolarHBondContact O-CG2 3.36Å; I445-T449 PolarHBondContact O-N 2.99Å; I445-F590 HydrophobicContact CD1-CE2 4.42Å; I445-F590 HydrophobicContact CD1-CZ 3.86Å; I445-F590 HydrophobicContact CG2-CD1 4.33Å; I445-F590 HydrophobicContact CG2-CE1 3.55Å; I445-F590 HydrophobicContact CG2-CZ 3.75Å |
| 446 | M | 86.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.6 | -72.4 | 168.9 | 76 | 0 | 0 | 111.1 | L442 L443 Y448 T449 Y450 F591 L599 F602 I603 W643 V646 I647 L650 | L442-M446 HydrophobicContact CD1-CG 4.01Å; L442-M446 HydrophobicContact CD1-SD 3.93Å; L442-M446 HydrophobicContact CD2-SD 4.49Å; L442-M446 HydrophobicContact CG-CG 4.43Å; L442-M446 HydrophobicContact CG-SD 3.83Å; L442-M446 WeakPolarHBondContact O-CB 3.25Å; L442-M446 WeakPolarHBondContact O-CG 3.49Å; L442-M446 PolarHBondContact O-N 3.19Å; L443-M446 PolarHBondContact O-N 3.44Å; M446-Y448 VanDerWaalsContact C-N 3.34Å; M446-Y448 PolarHBondContact O-N 3.16Å; M446-T449 PolarHBondContact O-N 3.29Å; M446-T449 PolarHBondContact O-OG1 3.01Å; M446-Y450 PolarHBondContact O-N 3.27Å; M446-F591 HydrophobicContact CG-CE1 4.14Å; M446-F591 HydrophobicContact CG-CZ 4.22Å; M446-L599 HydrophobicContact SD-CD1 4.34Å; M446-F602 HydrophobicContact SD-CE1 4.41Å; M446-I603 HydrophobicContact CE-CD1 3.94Å; M446-I603 HydrophobicContact CE-CG1 3.84Å; M446-W643 HydrophobicContact CB-CZ3 4.49Å; M446-W643 HydrophobicContact CE-CH2 3.4Å; M446-W643 VanDerWaalsContact CE-CH2 3.44Å; M446-W643 HydrophobicContact CE-CZ2 4.15Å; M446-W643 HydrophobicContact CE-CZ3 3.96Å; M446-W643 HydrophobicContact SD-CH2 3.75Å; M446-W643 HydrophobicContact SD-CZ3 4.29Å; M446-V646 HydrophobicContact CB-CG1 4.07Å; M446-V646 HydrophobicContact CE-CG1 4.41Å; M446-I647 HydrophobicContact CE-CD1 3.94Å; M446-L650 HydrophobicContact CE-CD1 3.34Å; M446-L650 HydrophobicContact CG-CD1 4.4Å |
| 447 | W | 87.3 | Confident | 84.7 | Confident | 44.5 Ų | 44.5 | 33.5 Ų | 33.5 | 17% | 0.169 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 171.7 | 177.4 | -99.7 | 0 | 0 | 0 | 112 | L443 T449 Y450 E451 L636 L638 Q642 V646 | L443-W447 PolarHBondContact O-N 3.01Å; W447-T449 VanDerWaalsContact C-N 3.32Å; W447-T449 PolarHBondContact O-N 3.06Å; W447-Y450 HydrophobicContact CE3-CD1 4.06Å; W447-Y450 HydrophobicContact CH2-CD1 4.14Å; W447-Y450 HydrophobicContact CH2-CE1 4.12Å; W447-Y450 AromaticContact CZ3-CD1 3.73Å; W447-Y450 HydrophobicContact CZ3-CD1 3.73Å; W447-Y450 AromaticContact CZ3-CE1 3.93Å; W447-Y450 HydrophobicContact CZ3-CE1 3.93Å; W447-Y450 WeakPolarHBondContact O-CB 3.23Å; W447-Y450 PolarHBondContact O-N 3.3Å; W447-Y450 VanDerWaalsContact O-N 3.14Å; W447-E451 HydrophobicContact CZ2-CB 4.46Å; W447-E451 PolarHBondContact NE1-OE2 3.22Å; W447-E451 PolarHBondContact O-N 3.36Å; W447-L636 HydrophobicContact CB-CD2 3.53Å; W447-L636 VanDerWaalsContact CB-CD2 3.42Å; W447-L636 HydrophobicContact CD2-CD2 4.36Å; W447-L636 HydrophobicContact CG-CD2 3.56Å; W447-L638 HydrophobicContact CB-CD1 4.4Å; W447-L638 HydrophobicContact CB-CD2 4.36Å; W447-L638 HydrophobicContact CD2-CD2 3.96Å; W447-L638 HydrophobicContact CE3-CD1 4.22Å; W447-L638 HydrophobicContact CE3-CD2 3.44Å; W447-L638 VanDerWaalsContact CE3-CD2 3.44Å; W447-L638 HydrophobicContact CE3-CG 4.42Å; W447-L638 HydrophobicContact CG-CD2 4.16Å; W447-L638 HydrophobicContact CZ3-CD2 4.1Å; W447-Q642 HydrophobicContact CH2-CG 4.1Å; W447-Q642 HydrophobicContact CZ3-CB 3.84Å; W447-Q642 HydrophobicContact CZ3-CG 3.88Å; W447-V646 HydrophobicContact CE3-CG2 3.91Å; W447-V646 HydrophobicContact CZ3-CG2 4.35Å |
| 448 | Y | 88.2 | Confident | 84.3 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 7% | 0.067 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -35.8 | 179.4 | 177.9 | -104.3 | 0 | 0 | 0 | 113.6 | I378 P381 S417 P420 F421 D444 I445 M446 S452 | I378-Y448 HydrophobicContact CG2-CD1 4.44Å; I378-Y448 HydrophobicContact CG2-CD2 3.97Å; I378-Y448 HydrophobicContact CG2-CG 3.75Å; I378-Y448 VanDerWaalsContact O-CD2 3.3Å; I378-Y448 WeakPolarHBondContact O-CD2 3.36Å; I378-Y448 VanDerWaalsContact O-CE2 3.28Å; I378-Y448 WeakPolarHBondContact O-CE2 3.47Å; P381-Y448 HydrophobicContact CG-CE2 3.79Å; P381-Y448 WeakPolarHBondContact CG-OH 3.31Å; S417-Y448 VanDerWaalsContact CA-OH 3.28Å; S417-Y448 WeakPolarHBondContact CA-OH 3.19Å; S417-Y448 PolarHBondContact O-OH 3.2Å; S417-Y448 VanDerWaalsContact O-OH 3.12Å; P420-Y448 HydrophobicContact CB-CE1 4.1Å; P420-Y448 HydrophobicContact CG-CE1 3.83Å; F421-Y448 HydrophobicContact CD2-CE1 4.47Å; F421-Y448 AromaticContact CE2-CD1 3.93Å; F421-Y448 HydrophobicContact CE2-CD1 3.93Å; F421-Y448 AromaticContact CE2-CE1 3.62Å; F421-Y448 HydrophobicContact CE2-CE1 3.62Å; F421-Y448 AromaticContact CZ-CD1 3.66Å; F421-Y448 HydrophobicContact CZ-CD1 3.66Å; F421-Y448 AromaticContact CZ-CE1 3.87Å; F421-Y448 HydrophobicContact CZ-CE1 3.87Å; D444-Y448 VanDerWaalsContact O-CB 3.24Å; D444-Y448 WeakPolarHBondContact O-CB 3.39Å; D444-Y448 PolarHBondContact O-N 3.25Å; I445-Y448 WeakPolarHBondContact O-CB 3.44Å; I445-Y448 PolarHBondContact O-N 3.25Å; I445-Y448 VanDerWaalsContact O-N 3.16Å; M446-Y448 VanDerWaalsContact C-N 3.34Å; M446-Y448 PolarHBondContact O-N 3.16Å; Y448-S452 VanDerWaalsContact CE2-OG 3.28Å; Y448-S452 WeakPolarHBondContact CE2-OG 3.4Å; Y448-S452 VanDerWaalsContact CZ-OG 3.3Å; Y448-S452 WeakPolarHBondContact O-CB 3.37Å; Y448-S452 PolarHBondContact O-N 2.8Å; Y448-S452 PolarHBondContact O-OG 2.85Å |
| 449 | T | 87.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 173 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | F421 I445 M446 W447 Y453 F591 | F421-T449 HydrophobicContact CE1-CG2 3.48Å; F421-T449 VanDerWaalsContact CE1-CG2 3.46Å; F421-T449 HydrophobicContact CZ-CG2 3.34Å; I445-T449 WeakPolarHBondContact O-CG2 3.36Å; I445-T449 PolarHBondContact O-N 2.99Å; M446-T449 PolarHBondContact O-N 3.29Å; M446-T449 PolarHBondContact O-OG1 3.01Å; W447-T449 VanDerWaalsContact C-N 3.32Å; W447-T449 PolarHBondContact O-N 3.06Å; T449-Y453 WeakPolarHBondContact O-CB 3.4Å; T449-Y453 PolarHBondContact O-N 3.19Å; T449-F591 HydrophobicContact CG2-CE2 3.72Å; T449-F591 HydrophobicContact CG2-CZ 3.87Å |
| 450 | Y | 87.2 | Confident | 83.7 | Confident | 63.5 Ų | 63.5 | 39.3 Ų | 39.3 | 25% | 0.249 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -46.5 | -179.9 | 172.4 | -106.2 | 0 | 0 | 0 | 112.6 | M446 W447 S454 V646 F649 | M446-Y450 PolarHBondContact O-N 3.27Å; W447-Y450 HydrophobicContact CE3-CD1 4.06Å; W447-Y450 HydrophobicContact CH2-CD1 4.14Å; W447-Y450 HydrophobicContact CH2-CE1 4.12Å; W447-Y450 AromaticContact CZ3-CD1 3.73Å; W447-Y450 HydrophobicContact CZ3-CD1 3.73Å; W447-Y450 AromaticContact CZ3-CE1 3.93Å; W447-Y450 HydrophobicContact CZ3-CE1 3.93Å; W447-Y450 WeakPolarHBondContact O-CB 3.23Å; W447-Y450 PolarHBondContact O-N 3.3Å; W447-Y450 VanDerWaalsContact O-N 3.14Å; Y450-S454 VanDerWaalsContact O-CB 3.25Å; Y450-S454 WeakPolarHBondContact O-CB 3.35Å; Y450-S454 PolarHBondContact O-N 3.09Å; Y450-S454 PolarHBondContact O-OG 2.97Å; Y450-V646 HydrophobicContact CD1-CG2 4.09Å; Y450-V646 HydrophobicContact CG-CG2 3.99Å; Y450-F649 HydrophobicContact CD2-CB 3.64Å; Y450-F649 AromaticContact CD2-CD1 3.97Å; Y450-F649 HydrophobicContact CD2-CD1 3.99Å; Y450-F649 HydrophobicContact CD2-CD2 4.38Å; Y450-F649 AromaticContact CD2-CG 3.73Å; Y450-F649 HydrophobicContact CD2-CG 3.73Å; Y450-F649 HydrophobicContact CE2-CB 4.15Å; Y450-F649 HydrophobicContact CG-CD1 4.45Å |
| 451 | E | 84.8 | Confident | 83.3 | Confident | 87 Ų | 87 | 37.4 Ų | 37.4 | 41% | 0.407 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.8 | -44.2 | 179.2 | -176.8 | 167.3 | -169.4 | 0 | 0 | 111.5 | W447 S454 K455 R488 | W447-E451 HydrophobicContact CZ2-CB 4.46Å; W447-E451 PolarHBondContact NE1-OE2 3.22Å; W447-E451 PolarHBondContact O-N 3.36Å; E451-S454 PolarHBondContact O-N 3.05Å; E451-K455 VanDerWaalsContact O-CB 3.28Å; E451-K455 WeakPolarHBondContact O-CB 3.33Å; E451-K455 PolarHBondContact O-N 3.09Å; E451-R488 IonicContact OE1-CZ 2.71Å; E451-R488 IonicContact OE1-NH1 3.39Å; E451-R488 IonicContact OE1-NH2 3.62Å; E451-R488 PolarHBondContact OE1-NH2 2.85Å; E451-R488 VanDerWaalsContact OE1-NH2 3.16Å |
| 452 | S | 83.4 | Confident | 82.6 | Confident | 8.5 Ų | 8.5 | 39.2 Ų | 39.2 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 178.5 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | Y448 K455 L456 F583 | Y448-S452 VanDerWaalsContact CE2-OG 3.28Å; Y448-S452 WeakPolarHBondContact CE2-OG 3.4Å; Y448-S452 VanDerWaalsContact CZ-OG 3.3Å; Y448-S452 WeakPolarHBondContact O-CB 3.37Å; Y448-S452 PolarHBondContact O-N 2.8Å; Y448-S452 PolarHBondContact O-OG 2.85Å; S452-K455 PolarHBondContact O-N 2.94Å; S452-L456 WeakPolarHBondContact O-CB 3.31Å; S452-L456 WeakPolarHBondContact O-CG 3.39Å; S452-L456 PolarHBondContact O-N 3.04Å; S452-F583 VanDerWaalsContact CB-CZ 3.43Å |
| 453 | Y | 86 | Confident | 81.6 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -51.2 | 172.2 | 171.3 | -96.6 | 0 | 0 | 0 | 110.9 | T449 K455 L456 H457 V580 L584 F649 | T449-Y453 WeakPolarHBondContact O-CB 3.4Å; T449-Y453 PolarHBondContact O-N 3.19Å; Y453-K455 VanDerWaalsContact C-N 3.26Å; Y453-K455 PolarHBondContact O-N 2.94Å; Y453-L456 PolarHBondContact O-N 2.92Å; Y453-H457 HydrophobicContact CE1-CB 4.4Å; Y453-H457 WeakPolarHBondContact O-CB 3.37Å; Y453-H457 PolarHBondContact O-N 3.1Å; Y453-V580 HydrophobicContact CD2-CG1 3.51Å; Y453-V580 HydrophobicContact CE2-CG1 3.31Å; Y453-L584 HydrophobicContact CD2-CD1 4.05Å; Y453-L584 HydrophobicContact CD2-CD2 3.79Å; Y453-L584 HydrophobicContact CD2-CG 3.95Å; Y453-L584 HydrophobicContact CE2-CD1 3.76Å; Y453-L584 HydrophobicContact CE2-CD2 4.29Å; Y453-L584 HydrophobicContact CE2-CG 4.19Å; Y453-L584 HydrophobicContact CG-CD2 4.46Å; Y453-F649 AromaticContact CD1-CD2 3.72Å; Y453-F649 HydrophobicContact CD1-CD2 3.72Å; Y453-F649 AromaticContact CD1-CE2 3.29Å; Y453-F649 HydrophobicContact CD1-CE2 3.29Å; Y453-F649 HydrophobicContact CD1-CZ 4.16Å; Y453-F649 AromaticContact CD2-CE2 3.82Å; Y453-F649 HydrophobicContact CD2-CE2 3.82Å; Y453-F649 HydrophobicContact CD2-CZ 4.35Å; Y453-F649 AromaticContact CE1-CD2 3.99Å; Y453-F649 HydrophobicContact CE1-CD2 3.99Å; Y453-F649 AromaticContact CE1-CE2 3.78Å; Y453-F649 HydrophobicContact CE1-CE2 3.78Å; Y453-F649 HydrophobicContact CE2-CE2 4.24Å; Y453-F649 HydrophobicContact CG-CD2 4.21Å; Y453-F649 AromaticContact CG-CE2 3.32Å; Y453-F649 HydrophobicContact CG-CE2 3.32Å; Y453-F649 AromaticContact CG-CZ 3.82Å; Y453-F649 HydrophobicContact CG-CZ 3.82Å |
| 454 | S | 82.8 | Confident | 80.4 | Confident | 45 Ų | 45 | 41.5 Ų | 41.5 | 32% | 0.315 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.6 | -39.7 | -179.4 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | Y450 E451 W458 | Y450-S454 VanDerWaalsContact O-CB 3.25Å; Y450-S454 WeakPolarHBondContact O-CB 3.35Å; Y450-S454 PolarHBondContact O-N 3.09Å; Y450-S454 PolarHBondContact O-OG 2.97Å; E451-S454 PolarHBondContact O-N 3.05Å; S454-W458 WeakPolarHBondContact O-CB 3.34Å; S454-W458 PolarHBondContact O-N 3.11Å |
| 455 | K | 82.9 | Confident | 79.3 | Confident | 91 Ų | 91 | 46.9 Ų | 46.9 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.7 | -52 | 176.9 | -165.1 | -175.3 | -171.1 | -157.7 | 0 | 112.2 | E413 E451 S452 Y453 W458 Q459 | E413-K455 VanDerWaalsContact OE1-CD 3.24Å; E413-K455 WeakPolarHBondContact OE1-CD 3.27Å; E413-K455 WeakPolarHBondContact OE1-CE 3.31Å; E413-K455 IonicContact OE1-NZ 3.67Å; E413-K455 PolarHBondContact OE1-NZ 2.91Å; E451-K455 VanDerWaalsContact O-CB 3.28Å; E451-K455 WeakPolarHBondContact O-CB 3.33Å; E451-K455 PolarHBondContact O-N 3.09Å; S452-K455 PolarHBondContact O-N 2.94Å; Y453-K455 VanDerWaalsContact C-N 3.26Å; Y453-K455 PolarHBondContact O-N 2.94Å; K455-W458 PolarHBondContact O-N 3.15Å; K455-Q459 VanDerWaalsContact O-CG 3.27Å; K455-Q459 WeakPolarHBondContact O-CG 3.38Å; K455-Q459 PolarHBondContact O-N 3.22Å; K455-Q459 PolarHBondContact O-OE1 3.09Å |
| 456 | L | 81.9 | Confident | 78 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 179.1 | -71.4 | 170.8 | 0 | 0 | 0 | 111.8 | E413 R414 S452 Y453 Q459 T460 V580 F583 | E413-L456 HydrophobicContact CB-CD2 4.4Å; E413-L456 HydrophobicContact CG-CD2 4.08Å; R414-L456 HydrophobicContact CB-CD2 4.45Å; S452-L456 WeakPolarHBondContact O-CB 3.31Å; S452-L456 WeakPolarHBondContact O-CG 3.39Å; S452-L456 PolarHBondContact O-N 3.04Å; Y453-L456 PolarHBondContact O-N 2.92Å; L456-Q459 PolarHBondContact O-N 3.18Å; L456-T460 VanDerWaalsContact O-CB 3.28Å; L456-T460 WeakPolarHBondContact O-CB 3.39Å; L456-T460 PolarHBondContact O-N 3.08Å; L456-T460 PolarHBondContact O-OG1 3.43Å; L456-V580 HydrophobicContact CB-CG2 4.3Å; L456-F583 HydrophobicContact CD1-CB 3.87Å; L456-F583 HydrophobicContact CD1-CD1 4.18Å; L456-F583 HydrophobicContact CD1-CD2 3.88Å; L456-F583 HydrophobicContact CD1-CE2 4.48Å; L456-F583 HydrophobicContact CD1-CG 3.69Å |
| 457 | H | 80.7 | Confident | 76.4 | Confident | 87 Ų | 87 | 54 Ų | 54 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 176.4 | -179 | -79.2 | 0 | 0 | 0 | 111.6 | Y453 T460 T461 | Y453-H457 HydrophobicContact CE1-CB 4.4Å; Y453-H457 WeakPolarHBondContact O-CB 3.37Å; Y453-H457 PolarHBondContact O-N 3.1Å; H457-T460 PolarHBondContact O-N 3.15Å; H457-T461 PolarHBondContact CE1-OG1 3.29Å; H457-T461 WeakPolarHBondContact O-CB 3.32Å; H457-T461 PolarHBondContact O-N 3.07Å; H457-T461 PolarHBondContact O-OG1 3.33Å |
| 458 | W | 75.6 | Confident | 74.8 | Confident | 162 Ų | 162 | 57 Ų | 57 | 61% | 0.614 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.6 | -50.4 | 175.1 | 176.6 | -105 | 0 | 0 | 0 | 111.7 | S454 K455 T460 T461 C462 | S454-W458 WeakPolarHBondContact O-CB 3.34Å; S454-W458 PolarHBondContact O-N 3.11Å; K455-W458 PolarHBondContact O-N 3.15Å; W458-T460 VanDerWaalsContact C-N 3.34Å; W458-T460 PolarHBondContact O-N 3.26Å; W458-T461 WeakPolarHBondContact O-CB 3.39Å; W458-T461 PolarHBondContact O-N 3.09Å; W458-T461 VanDerWaalsContact O-N 3.16Å; W458-C462 VanDerWaalsContact CE2-SG 3.55Å; W458-C462 PolarHBondContact O-N 3.13Å; W458-C462 PolarHBondContact O-SG 3.18Å; W458-C462 VanDerWaalsContact O-SG 3.33Å |
| 459 | Q | 76.1 | Confident | 73 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 23% | 0.229 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 178.6 | -69.2 | 168.7 | -36 | 0 | 0 | 112.4 | L410 E413 K455 L456 T461 C462 S463 | L410-Q459 HydrophobicContact CD2-CB 3.72Å; E413-Q459 VanDerWaalsContact CD-NE2 3.26Å; E413-Q459 PolarHBondContact OE1-NE2 2.85Å; E413-Q459 PolarHBondContact OE2-NE2 3.22Å; E413-Q459 PolarHBondContact OE2-OE1 3.03Å; K455-Q459 VanDerWaalsContact O-CG 3.27Å; K455-Q459 WeakPolarHBondContact O-CG 3.38Å; K455-Q459 PolarHBondContact O-N 3.22Å; K455-Q459 PolarHBondContact O-OE1 3.09Å; L456-Q459 PolarHBondContact O-N 3.18Å; Q459-T461 VanDerWaalsContact C-N 3.34Å; Q459-C462 PolarHBondContact O-N 3.31Å; Q459-S463 WeakPolarHBondContact O-CB 3.48Å; Q459-S463 PolarHBondContact O-N 3.44Å |
| 460 | T | 74.2 | Confident | 70.8 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | L456 H457 W458 S463 M464 N576 | L456-T460 VanDerWaalsContact O-CB 3.28Å; L456-T460 WeakPolarHBondContact O-CB 3.39Å; L456-T460 PolarHBondContact O-N 3.08Å; L456-T460 PolarHBondContact O-OG1 3.43Å; H457-T460 PolarHBondContact O-N 3.15Å; W458-T460 VanDerWaalsContact C-N 3.34Å; W458-T460 PolarHBondContact O-N 3.26Å; T460-S463 PolarHBondContact O-N 3.03Å; T460-M464 HydrophobicContact CG2-CE 4.37Å; T460-M464 WeakPolarHBondContact O-CG 3.21Å; T460-M464 PolarHBondContact O-N 3.05Å; T460-N576 WeakPolarHBondContact CG2-O 3.23Å |
| 461 | T | 72.1 | Confident | 68.6 | Low | 41 Ų | 41 | 74 Ų | 74 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 176.7 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | H457 W458 Q459 S463 M464 M465 | H457-T461 PolarHBondContact CE1-OG1 3.29Å; H457-T461 WeakPolarHBondContact O-CB 3.32Å; H457-T461 PolarHBondContact O-N 3.07Å; H457-T461 PolarHBondContact O-OG1 3.33Å; W458-T461 WeakPolarHBondContact O-CB 3.39Å; W458-T461 PolarHBondContact O-N 3.09Å; W458-T461 VanDerWaalsContact O-N 3.16Å; Q459-T461 VanDerWaalsContact C-N 3.34Å; T461-S463 PolarHBondContact O-N 3.29Å; T461-M464 PolarHBondContact O-N 2.84Å; T461-M465 HydrophobicContact CG2-CE 4.13Å; T461-M465 HydrophobicContact CG2-SD 4.4Å; T461-M465 WeakPolarHBondContact O-CG 3.19Å; T461-M465 PolarHBondContact O-N 2.75Å |
| 462 | C | 71.9 | Confident | 66.6 | Low | 38 Ų | 38 | 78.8 Ų | 78.8 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | W458 Q459 M464 M465 N466 | W458-C462 VanDerWaalsContact CE2-SG 3.55Å; W458-C462 PolarHBondContact O-N 3.13Å; W458-C462 PolarHBondContact O-SG 3.18Å; W458-C462 VanDerWaalsContact O-SG 3.33Å; Q459-C462 PolarHBondContact O-N 3.31Å; C462-M464 VanDerWaalsContact C-N 3.34Å; C462-M464 PolarHBondContact O-N 3.4Å; C462-M465 PolarHBondContact O-N 3.27Å; C462-N466 VanDerWaalsContact O-CG 3.27Å; C462-N466 PolarHBondContact O-N 3.13Å; C462-N466 PolarHBondContact O-OD1 3.26Å |
| 463 | S | 65.1 | Low | 64.3 | Low | 25 Ų | 25 | 82.8 Ų | 82.8 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | Q459 T460 T461 N466 S467 | Q459-S463 WeakPolarHBondContact O-CB 3.48Å; Q459-S463 PolarHBondContact O-N 3.44Å; T460-S463 PolarHBondContact O-N 3.03Å; T461-S463 PolarHBondContact O-N 3.29Å; S463-N466 PolarHBondContact O-N 3.09Å; S463-S467 PolarHBondContact O-N 3.45Å; S463-S467 VanDerWaalsContact O-N 3.08Å |
| 464 | M | 61.5 | Low | 61.8 | Low | 50 Ų | 50 | 85.6 Ų | 85.6 | 25% | 0.246 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 173.1 | -71.7 | -173.3 | 175.3 | 0 | 0 | 112.4 | T460 T461 C462 N466 S467 I468 N576 N577 | T460-M464 HydrophobicContact CG2-CE 4.37Å; T460-M464 WeakPolarHBondContact O-CG 3.21Å; T460-M464 PolarHBondContact O-N 3.05Å; T461-M464 PolarHBondContact O-N 2.84Å; C462-M464 VanDerWaalsContact C-N 3.34Å; C462-M464 PolarHBondContact O-N 3.4Å; M464-N466 VanDerWaalsContact C-N 3.34Å; M464-N466 PolarHBondContact O-N 3.07Å; M464-S467 PolarHBondContact O-N 3.06Å; M464-S467 VanDerWaalsContact O-N 3.14Å; M464-S467 PolarHBondContact O-OG 3.19Å; M464-I468 WeakPolarHBondContact O-CG1 3.32Å; M464-I468 PolarHBondContact O-N 3.1Å; M464-I468 VanDerWaalsContact O-N 3.15Å; M464-N576 HydrophobicContact CE-CB 3.84Å; M464-N577 VanDerWaalsContact CE-OD1 3.25Å; M464-N577 WeakPolarHBondContact CE-OD1 3.33Å |
| 465 | M | 63 | Low | 59.7 | Low | 116.5 Ų | 116.5 | 91.4 Ų | 91.4 | 57% | 0.574 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59 | -44 | 178.3 | -74 | -177.9 | 173 | 0 | 0 | 112.4 | T461 C462 S467 I468 Q469 | T461-M465 HydrophobicContact CG2-CE 4.13Å; T461-M465 HydrophobicContact CG2-SD 4.4Å; T461-M465 WeakPolarHBondContact O-CG 3.19Å; T461-M465 PolarHBondContact O-N 2.75Å; C462-M465 PolarHBondContact O-N 3.27Å; M465-S467 VanDerWaalsContact C-N 3.32Å; M465-S467 PolarHBondContact O-N 3.44Å; M465-I468 PolarHBondContact O-N 3.06Å; M465-Q469 PolarHBondContact O-N 2.95Å; M465-Q469 VanDerWaalsContact O-N 3.16Å |
| 466 | N | 58.6 | Low | 57.3 | Low | 90 Ų | 90 | 97.4 Ų | 97.4 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 175.7 | -70.4 | -9.6 | 0 | 0 | 0 | 111.8 | C462 S463 M464 I468 M470 | C462-N466 VanDerWaalsContact O-CG 3.27Å; C462-N466 PolarHBondContact O-N 3.13Å; C462-N466 PolarHBondContact O-OD1 3.26Å; S463-N466 PolarHBondContact O-N 3.09Å; M464-N466 VanDerWaalsContact C-N 3.34Å; M464-N466 PolarHBondContact O-N 3.07Å; N466-I468 VanDerWaalsContact C-N 3.33Å; N466-I468 PolarHBondContact O-N 3.06Å; N466-M470 WeakPolarHBondContact O-CG 3.31Å; N466-M470 PolarHBondContact O-N 2.96Å |
| 467 | S | 53.7 | Low | 54.9 | Low | 60 Ų | 60 | 104.2 Ų | 104.2 | 42% | 0.42 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 177.7 | 77.8 | 0 | 0 | 0 | 0 | 113.3 | S463 M464 M465 | S463-S467 PolarHBondContact O-N 3.45Å; S463-S467 VanDerWaalsContact O-N 3.08Å; M464-S467 PolarHBondContact O-N 3.06Å; M464-S467 VanDerWaalsContact O-N 3.14Å; M464-S467 PolarHBondContact O-OG 3.19Å; M465-S467 VanDerWaalsContact C-N 3.32Å; M465-S467 PolarHBondContact O-N 3.44Å |
| 468 | I | 53.7 | Low | 52.5 | Low | 108.5 Ų | 108.5 | 109.7 Ų | 109.7 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -76.4 | -37 | -178.4 | -66.5 | 165.3 | 0 | 0 | 0 | 111.4 | M464 M465 N466 Q471 | M464-I468 WeakPolarHBondContact O-CG1 3.32Å; M464-I468 PolarHBondContact O-N 3.1Å; M464-I468 VanDerWaalsContact O-N 3.15Å; M465-I468 PolarHBondContact O-N 3.06Å; N466-I468 VanDerWaalsContact C-N 3.33Å; N466-I468 PolarHBondContact O-N 3.06Å; I468-Q471 PolarHBondContact O-N 3.09Å |
| 469 | Q | 49.9 | Very low | 50.3 | Low | 130.5 Ų | 130.5 | 108 Ų | 108 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.5 | -38.9 | 176.7 | -77 | -173.6 | -31.7 | 0 | 0 | 112.5 | M465 Q471 K472 | M465-Q469 PolarHBondContact O-N 2.95Å; M465-Q469 VanDerWaalsContact O-N 3.16Å; Q469-Q471 PolarHBondContact O-N 3.03Å; Q469-Q471 VanDerWaalsContact O-N 3.09Å; Q469-K472 PolarHBondContact O-N 3.24Å |
| 470 | M | 41.1 | Very low | 48.1 | Very low | 147 Ų | 147 | 113.3 Ų | 113.3 | 72% | 0.724 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -17.3 | -179.4 | -73 | -68 | -179.6 | 0 | 0 | 114.5 | N466 | N466-M470 WeakPolarHBondContact O-CG 3.31Å; N466-M470 PolarHBondContact O-N 2.96Å |
| 471 | Q | 42.2 | Very low | 46 | Very low | 163 Ų | 163 | 117.8 Ų | 117.8 | 76% | 0.762 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -1.3 | 176.9 | -70.9 | -170.3 | -11.7 | 0 | 0 | 114.7 | I468 Q469 | I468-Q471 PolarHBondContact O-N 3.09Å; Q469-Q471 PolarHBondContact O-N 3.03Å; Q469-Q471 VanDerWaalsContact O-N 3.09Å |
| 472 | K | 41.9 | Very low | 44 | Very low | 186.5 Ų | 186.5 | 121.6 Ų | 121.6 | 81% | 0.811 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 5.4 | -169.5 | -82.6 | -171.2 | 173.3 | -178.4 | 0 | 117.6 | Q469 | Q469-K472 PolarHBondContact O-N 3.24Š|
| 473 | S | 35.1 | Very low | 42.1 | Very low | 92.5 Ų | 92.5 | 123 Ų | 123 | 65% | 0.647 | 64% | 0.635 | S | S | * | * | trans | -129.9 | 75.1 | -177.3 | 59.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 474 | S | 33.7 | Very low | 40.6 | Very low | 104.5 Ų | 104.5 | 128.1 Ų | 128.1 | 73% | 0.731 | 66% | 0.66 | S | S | * | * | trans | -87.9 | 129.4 | 144.4 | 57.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 475 | H | 39.2 | Very low | 39.3 | Very low | 165.5 Ų | 165.5 | 132.7 Ų | 132.7 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 83.5 | 102.7 | -173.1 | -58.4 | -86.7 | 0 | 0 | 0 | 117.1 | ||
| 476 | R | 32.4 | Very low | 37.8 | Very low | 218 Ų | 218 | 131.8 Ų | 131.8 | 82% | 0.823 | 69% | 0.686 | S | S | * | * | trans | 48.2 | 116.5 | 132.2 | -65.9 | -174.1 | -173.4 | -178.7 | 1.7 | 119.3 | ||||
| 477 | D | 30.9 | Very low | 36.4 | Very low | 143.5 Ų | 143.5 | 134.9 Ų | 134.9 | 77% | 0.767 | 70% | 0.702 | S | S | * | * | 128.5 | 125.8 | 110.8 | -68.6 | -23.3 | 0 | 0 | 0 | 115.5 | |||||
| 478 | F | 30.4 | Very low | 35.3 | Very low | 203 Ų | 203 | 139.8 Ų | 139.8 | 89% | 0.89 | 71% | 0.711 | S | S | * | * | trans | -128.6 | 139.4 | 140.1 | -117.7 | -99.1 | 0 | 0 | 0 | 111.4 | L480 | F478-L480 PolarHBondContact O-N 3.21Š| ||
| 479 | T | 29.7 | Very low | 34.2 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -122.2 | 90.2 | 167.5 | 33.4 | 0 | 0 | 0 | 0 | 113.1 | T481 | T479-T481 PolarHBondContact O-N 3.2Š| ||
| 480 | L | 29.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -99.4 | 111.7 | 154.9 | -80.4 | 169 | 0 | 0 | 0 | 108.9 | F478 I482 | F478-L480 PolarHBondContact O-N 3.21Å; L480-I482 PolarHBondContact O-N 3.22Å; L480-I482 VanDerWaalsContact O-N 3.15Å | ||
| 481 | T | 29.4 | Very low | 33.1 | Very low | 104 Ų | 104 | 136 Ų | 136 | 64% | 0.638 | 71% | 0.711 | S | S | * | * | trans | -74 | 95.9 | 176.5 | -2.5 | 0 | 0 | 0 | 0 | 110.2 | T479 S483 N484 | T479-T481 PolarHBondContact O-N 3.2Å; T481-S483 VanDerWaalsContact CG2-OG 3.26Å; T481-S483 WeakPolarHBondContact CG2-OG 3.42Å; T481-S483 PolarHBondContact O-N 3.22Å; T481-S483 PolarHBondContact O-OG 3.44Å; T481-N484 PolarHBondContact O-N 2.77Å; T481-N484 VanDerWaalsContact O-N 3.1Å | ||
| 482 | I | 31.7 | Very low | 32.6 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -54.3 | -19.6 | 176.7 | -69.3 | 170.7 | 0 | 0 | 0 | 112.4 | L480 N484 L485 V486 | L480-I482 PolarHBondContact O-N 3.22Å; L480-I482 VanDerWaalsContact O-N 3.15Å; I482-N484 PolarHBondContact O-N 3.08Å; I482-L485 PolarHBondContact O-N 3.18Å; I482-V486 HydrophobicContact CG2-CG2 4.07Å; I482-V486 WeakPolarHBondContact O-CG2 3.38Å |
| 483 | S | 32 | Very low | 32.1 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 47% | 0.469 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -49.5 | -31.3 | 173.4 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | T481 L485 V486 | T481-S483 VanDerWaalsContact CG2-OG 3.26Å; T481-S483 WeakPolarHBondContact CG2-OG 3.42Å; T481-S483 PolarHBondContact O-N 3.22Å; T481-S483 PolarHBondContact O-OG 3.44Å; S483-L485 VanDerWaalsContact C-N 3.33Å; S483-L485 PolarHBondContact O-N 3.42Å; S483-V486 PolarHBondContact O-N 3.27Å |
| 484 | N | 33.1 | Very low | 32.2 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -85.3 | -6.3 | -174 | -68 | 10.3 | 0 | 0 | 0 | 113.9 | T481 I482 | T481-N484 PolarHBondContact O-N 2.77Å; T481-N484 VanDerWaalsContact O-N 3.1Å; I482-N484 PolarHBondContact O-N 3.08Å |
| 485 | L | 33.4 | Very low | 32.1 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -102.6 | 0.2 | 176.8 | -81.2 | 122.6 | 0 | 0 | 0 | 113.7 | I482 S483 | I482-L485 PolarHBondContact O-N 3.18Å; S483-L485 VanDerWaalsContact C-N 3.33Å; S483-L485 PolarHBondContact O-N 3.42Å |
| 486 | V | 31.7 | Very low | 32.1 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | trans | -100.3 | -6.5 | -168.6 | 175.5 | 0 | 0 | 0 | 0 | 113.7 | I482 S483 R488 | I482-V486 HydrophobicContact CG2-CG2 4.07Å; I482-V486 WeakPolarHBondContact O-CG2 3.38Å; S483-V486 PolarHBondContact O-N 3.27Å; V486-R488 PolarHBondContact O-N 3.03Å | ||
| 487 | N | 29.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | trans | -78.9 | 57.3 | -178.5 | -70.9 | -16.2 | 0 | 0 | 0 | 113.9 | ||||
| 488 | R | 30.5 | Very low | 32.8 | Very low | 161.5 Ų | 161.5 | 125.6 Ų | 125.6 | 61% | 0.609 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -100.4 | 141.6 | 164.7 | -139.5 | 178.8 | -175.8 | -145.9 | -3 | 108.8 | E451 V486 S490 L491 C492 | E451-R488 IonicContact OE1-CZ 2.71Å; E451-R488 IonicContact OE1-NH1 3.39Å; E451-R488 IonicContact OE1-NH2 3.62Å; E451-R488 PolarHBondContact OE1-NH2 2.85Å; E451-R488 VanDerWaalsContact OE1-NH2 3.16Å; V486-R488 PolarHBondContact O-N 3.03Å; R488-S490 PolarHBondContact O-N 3.1Å; R488-S490 VanDerWaalsContact O-N 3.14Å; R488-L491 PolarHBondContact NH1-O 3.09Å; R488-L491 PolarHBondContact NH2-O 3.49Å; R488-C492 PolarHBondContact NH1-SG 3.08Å |
| 489 | P | 30.2 | Very low | 33.6 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -83.6 | 125.4 | 153.8 | 1.2 | 0.7 | 0 | 0 | 0 | 112.7 | ||||
| 490 | S | 33.2 | Very low | 34.2 | Very low | 78.5 Ų | 78.5 | 116.1 Ų | 116.1 | 55% | 0.549 | 63% | 0.631 | S | S | . | * | trans | -49.7 | 146.7 | 168.5 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | R488 C492 D493 | R488-S490 PolarHBondContact O-N 3.1Å; R488-S490 VanDerWaalsContact O-N 3.14Å; S490-C492 PolarHBondContact O-N 3.35Å; S490-D493 PolarHBondContact O-N 3.35Å | ||
| 491 | L | 35.1 | Very low | 34.9 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -97.1 | 56.4 | 148.8 | -116.3 | 90.4 | 0 | 0 | 0 | 111.9 | T382 I416 R488 | T382-L491 HydrophobicContact CG2-CD2 4.41Å; I416-L491 HydrophobicContact CD1-CD2 4.35Å; R488-L491 PolarHBondContact NH1-O 3.09Å; R488-L491 PolarHBondContact NH2-O 3.49Å |
| 492 | C | 31.2 | Very low | 35.6 | Very low | 89.5 Ų | 89.5 | 110.6 Ų | 110.6 | 61% | 0.605 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -95.8 | 62.5 | -178.7 | -92.4 | 0 | 0 | 0 | 0 | 112.4 | R488 S490 K494 | R488-C492 PolarHBondContact NH1-SG 3.08Å; S490-C492 PolarHBondContact O-N 3.35Å; C492-K494 PolarHBondContact O-N 3.36Å |
| 493 | D | 30.8 | Very low | 36.3 | Very low | 135.5 Ų | 135.5 | 107.1 Ų | 107.1 | 73% | 0.725 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -9.1 | 37.2 | 165.5 | -59 | -32.2 | 0 | 0 | 0 | 116.4 | S490 | S490-D493 PolarHBondContact O-N 3.35Š|
| 494 | K | 37.2 | Very low | 37.1 | Very low | 193 Ų | 193 | 106 Ų | 106 | 84% | 0.839 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -123 | 125.8 | 142.2 | -70.9 | -171.9 | 179.3 | 177.7 | 0 | 108.5 | C492 L496 | C492-K494 PolarHBondContact O-N 3.36Å; K494-L496 VanDerWaalsContact C-N 3.31Å; K494-L496 PolarHBondContact O-N 3.35Å |
| 495 | Q | 33.2 | Very low | 37.7 | Very low | 192.5 Ų | 192.5 | 103.8 Ų | 103.8 | 90% | 0.9 | 55% | 0.552 | S | S | * | * | trans | -59.9 | 95.1 | -173 | -67.1 | 169.8 | -19.4 | 0 | 0 | 111.6 | P497 | Q495-P497 WeakPolarHBondContact O-CD 3.24Š| ||
| 496 | L | 39 | Very low | 38.1 | Very low | 78.5 Ų | 78.5 | 100.8 Ų | 100.8 | 41% | 0.411 | 54% | 0.537 | S | S | . | . | trans | -72.9 | 115.6 | 157.3 | -127.5 | 76.9 | 0 | 0 | 0 | 106.4 | K494 M500 I501 I504 | K494-L496 VanDerWaalsContact C-N 3.31Å; K494-L496 PolarHBondContact O-N 3.35Å; L496-M500 HydrophobicContact CD1-SD 4.03Å; L496-M500 HydrophobicContact CD2-CB 4.15Å; L496-M500 HydrophobicContact CD2-CG 3.87Å; L496-M500 HydrophobicContact CD2-SD 3.8Å; L496-M500 HydrophobicContact CG-CB 4.18Å; L496-M500 HydrophobicContact CG-CG 4.15Å; L496-M500 HydrophobicContact CG-SD 3.68Å; L496-I501 HydrophobicContact CB-CG1 4.34Å; L496-I501 HydrophobicContact CD2-CG1 4.23Å; L496-I504 HydrophobicContact CD2-CD1 4.32Å | ||
| 497 | P | 39 | Very low | 38.7 | Very low | 69.5 Ų | 69.5 | 99.9 Ų | 99.9 | 45% | 0.451 | 52% | 0.523 | S | S | . | . | trans | -62.5 | 148.1 | -178.5 | 25.5 | -32.6 | 0 | 0 | 0 | 109.8 | Q495 N499 M500 I501 | Q495-P497 WeakPolarHBondContact O-CD 3.24Å; P497-N499 VanDerWaalsContact C-OD1 3.23Å; P497-N499 WeakPolarHBondContact CB-OD1 3.39Å; P497-N499 VanDerWaalsContact CG-OD1 3.27Å; P497-N499 WeakPolarHBondContact CG-OD1 3.39Å; P497-N499 PolarHBondContact O-N 3.33Å; P497-N499 VanDerWaalsContact O-N 3.07Å; P497-N499 PolarHBondContact O-OD1 3.04Å; P497-M500 HydrophobicContact CG-CB 4.35Å; P497-M500 WeakPolarHBondContact O-CB 3.49Å; P497-M500 PolarHBondContact O-N 2.96Å; P497-I501 PolarHBondContact O-N 3.14Å | ||
| 498 | S | 38.4 | Very low | 39.7 | Very low | 96.5 Ų | 96.5 | 93 Ų | 93 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.4 | -24.2 | -167.7 | 48.1 | 0 | 0 | 0 | 0 | 114 | M500 N502 | S498-M500 VanDerWaalsContact C-N 3.33Å; S498-N502 PolarHBondContact O-N 3.09Å |
| 499 | N | 46.6 | Very low | 40.3 | Very low | 73.5 Ų | 73.5 | 93.5 Ų | 93.5 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 168.3 | 58 | -8.2 | 0 | 0 | 0 | 112.7 | L390 P497 I501 N502 L503 | L390-N499 HydrophobicContact CD1-CB 3.41Å; L390-N499 VanDerWaalsContact CD1-CB 3.41Å; L390-N499 HydrophobicContact CG-CB 4.37Å; P497-N499 VanDerWaalsContact C-OD1 3.23Å; P497-N499 WeakPolarHBondContact CB-OD1 3.39Å; P497-N499 VanDerWaalsContact CG-OD1 3.27Å; P497-N499 WeakPolarHBondContact CG-OD1 3.39Å; P497-N499 PolarHBondContact O-N 3.33Å; P497-N499 VanDerWaalsContact O-N 3.07Å; P497-N499 PolarHBondContact O-OD1 3.04Å; N499-I501 PolarHBondContact O-N 3.05Å; N499-N502 CarbonylContact O-C 3.56Å; N499-N502 WeakPolarHBondContact O-CA 3.46Å; N499-N502 WeakPolarHBondContact O-CB 3.33Å; N499-N502 PolarHBondContact O-N 3.12Å; N499-L503 WeakPolarHBondContact O-CB 3.44Å; N499-L503 WeakPolarHBondContact O-CG 3.38Å; N499-L503 PolarHBondContact O-N 3.44Å |
| 500 | M | 42 | Very low | 41 | Very low | 57.5 Ų | 57.5 | 92.6 Ų | 92.6 | 28% | 0.283 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.4 | -29.6 | -178.3 | -164.4 | 174.7 | -71.4 | 0 | 0 | 112.8 | V386 L496 P497 S498 I504 | V386-M500 HydrophobicContact CB-CE 4.29Å; V386-M500 HydrophobicContact CB-CG 4.34Å; V386-M500 HydrophobicContact CB-SD 4.46Å; V386-M500 HydrophobicContact CG1-CG 4.5Å; V386-M500 HydrophobicContact CG2-CE 4.27Å; V386-M500 HydrophobicContact CG2-CG 4.18Å; V386-M500 HydrophobicContact CG2-SD 3.95Å; L496-M500 HydrophobicContact CD1-SD 4.03Å; L496-M500 HydrophobicContact CD2-CB 4.15Å; L496-M500 HydrophobicContact CD2-CG 3.87Å; L496-M500 HydrophobicContact CD2-SD 3.8Å; L496-M500 HydrophobicContact CG-CB 4.18Å; L496-M500 HydrophobicContact CG-CG 4.15Å; L496-M500 HydrophobicContact CG-SD 3.68Å; P497-M500 HydrophobicContact CG-CB 4.35Å; P497-M500 WeakPolarHBondContact O-CB 3.49Å; P497-M500 PolarHBondContact O-N 2.96Å; S498-M500 VanDerWaalsContact C-N 3.33Å; M500-I504 HydrophobicContact CG-CD1 4.39Å; M500-I504 WeakPolarHBondContact O-CD1 3.24Å; M500-I504 VanDerWaalsContact O-CG1 3.28Å; M500-I504 WeakPolarHBondContact O-CG1 3.46Å; M500-I504 PolarHBondContact O-N 3.19Å |
| 501 | I | 45.7 | Very low | 41.6 | Very low | 74.5 Ų | 74.5 | 93.2 Ų | 93.2 | 38% | 0.382 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 171.2 | -66.1 | 175 | 0 | 0 | 0 | 110.6 | I412 L496 P497 N499 I504 K505 | I412-I501 HydrophobicContact CD1-CG2 3.94Å; L496-I501 HydrophobicContact CB-CG1 4.34Å; L496-I501 HydrophobicContact CD2-CG1 4.23Å; P497-I501 PolarHBondContact O-N 3.14Å; N499-I501 PolarHBondContact O-N 3.05Å; I501-I504 PolarHBondContact O-N 3.37Å; I501-K505 HydrophobicContact CG2-CD 4.5Å; I501-K505 WeakPolarHBondContact O-CG 3.32Å; I501-K505 PolarHBondContact O-N 3.26Å; I501-K505 VanDerWaalsContact O-N 3.11Å |
| 502 | N | 43.3 | Very low | 41.8 | Very low | 73 Ų | 73 | 91 Ų | 91 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 174.5 | -67 | -10.6 | 0 | 0 | 0 | 111.3 | S498 N499 I504 K505 D506 | S498-N502 PolarHBondContact O-N 3.09Å; N499-N502 CarbonylContact O-C 3.56Å; N499-N502 WeakPolarHBondContact O-CA 3.46Å; N499-N502 WeakPolarHBondContact O-CB 3.33Å; N499-N502 PolarHBondContact O-N 3.12Å; N502-I504 VanDerWaalsContact C-N 3.27Å; N502-I504 PolarHBondContact O-N 3.28Å; N502-I504 VanDerWaalsContact O-N 3.17Å; N502-K505 WeakPolarHBondContact O-CA 3.24Å; N502-K505 WeakPolarHBondContact O-CB 3.37Å; N502-K505 PolarHBondContact O-N 3.44Å; N502-D506 VanDerWaalsContact O-CG 3.28Å; N502-D506 PolarHBondContact O-N 3.05Å |
| 503 | L | 46.8 | Very low | 42.1 | Very low | 48.5 Ų | 48.5 | 90.6 Ų | 90.6 | 25% | 0.254 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -52.3 | -42 | 174.3 | -73.8 | 173.9 | 0 | 0 | 0 | 112.9 | V386 Y388 Q389 N499 D506 Y507 | V386-L503 HydrophobicContact CG1-CB 4.01Å; V386-L503 HydrophobicContact CG1-CD1 4.1Å; Y388-L503 HydrophobicContact CD1-CD1 4.37Å; Q389-L503 VanDerWaalsContact C-CD2 3.42Å; Q389-L503 HydrophobicContact CB-CD2 3.81Å; Q389-L503 WeakPolarHBondContact O-CD2 3.29Å; N499-L503 WeakPolarHBondContact O-CB 3.44Å; N499-L503 WeakPolarHBondContact O-CG 3.38Å; N499-L503 PolarHBondContact O-N 3.44Å; L503-D506 PolarHBondContact O-N 3.29Å; L503-Y507 VanDerWaalsContact O-CB 3.23Å; L503-Y507 WeakPolarHBondContact O-CB 3.27Å; L503-Y507 PolarHBondContact O-N 3.34Å |
| 504 | I | 48.3 | Very low | 42.5 | Very low | 42.5 Ų | 42.5 | 89.3 Ų | 89.3 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -73.2 | -35.3 | 179 | -63.1 | 165 | 0 | 0 | 0 | 111 | V386 I412 I416 L496 M500 I501 N502 V508 | V386-I504 HydrophobicContact CG1-CG1 4.06Å; I412-I504 HydrophobicContact CB-CG2 4.2Å; I412-I504 HydrophobicContact CD1-CG2 4.2Å; I412-I504 HydrophobicContact CG1-CB 4.21Å; I412-I504 HydrophobicContact CG1-CG2 3.94Å; I412-I504 HydrophobicContact CG2-CB 4.4Å; I412-I504 HydrophobicContact CG2-CD1 4.22Å; I412-I504 HydrophobicContact CG2-CG2 3.99Å; I416-I504 HydrophobicContact CD1-CD1 4.22Å; I416-I504 HydrophobicContact CG1-CD1 4.48Å; L496-I504 HydrophobicContact CD2-CD1 4.32Å; M500-I504 HydrophobicContact CG-CD1 4.39Å; M500-I504 WeakPolarHBondContact O-CD1 3.24Å; M500-I504 VanDerWaalsContact O-CG1 3.28Å; M500-I504 WeakPolarHBondContact O-CG1 3.46Å; M500-I504 PolarHBondContact O-N 3.19Å; I501-I504 PolarHBondContact O-N 3.37Å; N502-I504 VanDerWaalsContact C-N 3.27Å; N502-I504 PolarHBondContact O-N 3.28Å; N502-I504 VanDerWaalsContact O-N 3.17Å; I504-V508 HydrophobicContact CG2-CG2 4.3Å; I504-V508 WeakPolarHBondContact O-CB 3.2Å; I504-V508 VanDerWaalsContact O-CG2 3.23Å; I504-V508 WeakPolarHBondContact O-CG2 3.36Å; I504-V508 PolarHBondContact O-N 3.08Å |
| 505 | K | 45.9 | Very low | 42.4 | Very low | 88 Ų | 88 | 86.1 Ų | 86.1 | 38% | 0.383 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 172.5 | -72.1 | 177.6 | 178 | -170.7 | 0 | 111.6 | S408 I412 I501 N502 V508 F509 | S408-K505 VanDerWaalsContact OG-CE 3.24Å; S408-K505 WeakPolarHBondContact OG-CE 3.47Å; S408-K505 PolarHBondContact OG-NZ 3.26Å; I412-K505 HydrophobicContact CD1-CG 3.91Å; I412-K505 HydrophobicContact CG1-CG 4.25Å; I501-K505 HydrophobicContact CG2-CD 4.5Å; I501-K505 WeakPolarHBondContact O-CG 3.32Å; I501-K505 PolarHBondContact O-N 3.26Å; I501-K505 VanDerWaalsContact O-N 3.11Å; N502-K505 WeakPolarHBondContact O-CA 3.24Å; N502-K505 WeakPolarHBondContact O-CB 3.37Å; N502-K505 PolarHBondContact O-N 3.44Å; K505-V508 PolarHBondContact O-N 2.95Å; K505-F509 WeakPolarHBondContact O-CB 3.4Å; K505-F509 PolarHBondContact O-N 3.32Å |
| 506 | D | 42.5 | Very low | 42.4 | Very low | 82 Ų | 82 | 82.1 Ų | 82.1 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | -179.8 | -61.9 | -26.4 | 0 | 0 | 0 | 110.9 | N502 L503 V508 F509 I510 | N502-D506 VanDerWaalsContact O-CG 3.28Å; N502-D506 PolarHBondContact O-N 3.05Å; L503-D506 PolarHBondContact O-N 3.29Å; D506-V508 VanDerWaalsContact C-N 3.25Å; D506-V508 PolarHBondContact O-N 3.01Å; D506-F509 PolarHBondContact O-N 3.47Å; D506-I510 WeakPolarHBondContact O-CB 3.49Å; D506-I510 WeakPolarHBondContact O-CD1 3.43Å; D506-I510 VanDerWaalsContact O-CG1 3.23Å; D506-I510 WeakPolarHBondContact O-CG1 3.38Å; D506-I510 PolarHBondContact O-N 3.33Å |
| 507 | Y | 45 | Very low | 41.8 | Very low | 79 Ų | 79 | 83.8 Ų | 83.8 | 31% | 0.31 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 176.1 | -174 | -96.6 | 0 | 0 | 0 | 113.3 | L503 R511 | L503-Y507 VanDerWaalsContact O-CB 3.23Å; L503-Y507 WeakPolarHBondContact O-CB 3.27Å; L503-Y507 PolarHBondContact O-N 3.34Å; Y507-R511 VanDerWaalsContact O-CB 3.25Å; Y507-R511 WeakPolarHBondContact O-CB 3.38Å; Y507-R511 PolarHBondContact O-N 2.82Å |
| 508 | V | 49.9 | Very low | 41.4 | Very low | 11.5 Ų | 11.5 | 85 Ų | 85 | 7% | 0.07 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -79.8 | -36 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | V411 I412 S415 I504 K505 D506 I510 R511 D512 | V411-V508 HydrophobicContact CG1-CB 4.33Å; V411-V508 HydrophobicContact CG1-CG1 3.51Å; I412-V508 HydrophobicContact CD1-CG2 3.55Å; I412-V508 HydrophobicContact CG1-CG1 4.4Å; I412-V508 HydrophobicContact CG1-CG2 3.55Å; S415-V508 WeakPolarHBondContact OG-CG2 3.45Å; I504-V508 HydrophobicContact CG2-CG2 4.3Å; I504-V508 WeakPolarHBondContact O-CB 3.2Å; I504-V508 VanDerWaalsContact O-CG2 3.23Å; I504-V508 WeakPolarHBondContact O-CG2 3.36Å; I504-V508 PolarHBondContact O-N 3.08Å; K505-V508 PolarHBondContact O-N 2.95Å; D506-V508 VanDerWaalsContact C-N 3.25Å; D506-V508 PolarHBondContact O-N 3.01Å; V508-I510 PolarHBondContact O-N 2.87Å; V508-R511 WeakPolarHBondContact O-CB 3.46Å; V508-R511 PolarHBondContact O-N 3.31Å; V508-R511 VanDerWaalsContact O-N 3.12Å; V508-D512 WeakPolarHBondContact CG1-OD2 3.46Å; V508-D512 WeakPolarHBondContact O-CB 3.25Å; V508-D512 PolarHBondContact O-N 3.26Å |
| 509 | F | 42.4 | Very low | 41 | Very low | 171 Ų | 171 | 87.9 Ų | 87.9 | 75% | 0.75 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62 | -34.8 | 175.1 | -155.5 | -92.5 | 0 | 0 | 0 | 112.2 | K505 D506 S513 | K505-F509 WeakPolarHBondContact O-CB 3.4Å; K505-F509 PolarHBondContact O-N 3.32Å; D506-F509 PolarHBondContact O-N 3.47Å; F509-S513 VanDerWaalsContact O-CB 3.31Å; F509-S513 WeakPolarHBondContact O-CB 3.46Å; F509-S513 PolarHBondContact O-N 3.32Å; F509-S513 PolarHBondContact O-OG 3.49Å |
| 510 | I | 46.3 | Very low | 40.1 | Very low | 93.5 Ų | 93.5 | 95.8 Ų | 95.8 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 175.5 | -66.8 | 164.6 | 0 | 0 | 0 | 111.5 | D506 V508 S513 V514 | D506-I510 WeakPolarHBondContact O-CB 3.49Å; D506-I510 WeakPolarHBondContact O-CD1 3.43Å; D506-I510 VanDerWaalsContact O-CG1 3.23Å; D506-I510 WeakPolarHBondContact O-CG1 3.38Å; D506-I510 PolarHBondContact O-N 3.33Å; V508-I510 PolarHBondContact O-N 2.87Å; I510-S513 PolarHBondContact O-OG 3.07Å; I510-V514 VanDerWaalsContact O-CG2 3.28Å; I510-V514 WeakPolarHBondContact O-CG2 3.35Å; I510-V514 PolarHBondContact O-N 3.46Å |
| 511 | R | 44.6 | Very low | 39.7 | Very low | 90 Ų | 90 | 100 Ų | 100 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | -174.6 | 178.8 | -172.3 | 155.6 | 178.4 | 1.2 | 113.6 | R414 S415 E418 R422 Y507 V508 S513 V514 K515 E582 | R414-R511 VanDerWaalsContact NH2-NH2 3.2Å; S415-R511 PolarHBondContact OG-NH1 3.09Å; E418-R511 IonicContact OE1-CZ 3.89Å; E418-R511 VanDerWaalsContact OE1-CZ 3.22Å; E418-R511 IonicContact OE1-NH1 3.07Å; E418-R511 PolarHBondContact OE1-NH1 3.44Å; E418-R511 IonicContact OE1-NH2 3.14Å; E418-R511 PolarHBondContact OE1-NH2 2.96Å; E418-R511 IonicContact OE2-CZ 2.73Å; E418-R511 IonicContact OE2-NH1 2.9Å; E418-R511 PolarHBondContact OE2-NH1 3.47Å; E418-R511 IonicContact OE2-NH2 3.06Å; E418-R511 PolarHBondContact OE2-NH2 3.04Å; R422-R511 VanDerWaalsContact NH2-NH1 3.17Å; Y507-R511 VanDerWaalsContact O-CB 3.25Å; Y507-R511 WeakPolarHBondContact O-CB 3.38Å; Y507-R511 PolarHBondContact O-N 2.82Å; V508-R511 WeakPolarHBondContact O-CB 3.46Å; V508-R511 PolarHBondContact O-N 3.31Å; V508-R511 VanDerWaalsContact O-N 3.12Å; R511-S513 PolarHBondContact O-N 2.92Å; R511-V514 PolarHBondContact O-N 2.94Å; R511-K515 PolarHBondContact O-N 3.21Å; R511-K515 VanDerWaalsContact O-N 3.11Å; R511-E582 IonicContact CZ-OE2 3.06Å; R511-E582 IonicContact NH2-OE2 2.69Å; R511-E582 PolarHBondContact NH2-OE2 3.47Å |
| 512 | D | 39.4 | Very low | 38.8 | Very low | 72.5 Ų | 72.5 | 103 Ų | 103 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -82 | -10.6 | -172.7 | -72.2 | -26 | 0 | 0 | 0 | 113.1 | R414 V508 S516 | R414-D512 IonicContact NH2-OD2 3.88Å; R414-D512 PolarHBondContact NH2-OD2 3.47Å; V508-D512 WeakPolarHBondContact CG1-OD2 3.46Å; V508-D512 WeakPolarHBondContact O-CB 3.25Å; V508-D512 PolarHBondContact O-N 3.26Å; D512-S516 PolarHBondContact O-OG 3.48Å |
| 513 | S | 37.8 | Very low | 38.3 | Very low | 80.5 Ų | 80.5 | 106.7 Ų | 106.7 | 56% | 0.563 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.2 | -25.2 | 170.1 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | F509 I510 R511 | F509-S513 VanDerWaalsContact O-CB 3.31Å; F509-S513 WeakPolarHBondContact O-CB 3.46Å; F509-S513 PolarHBondContact O-N 3.32Å; F509-S513 PolarHBondContact O-OG 3.49Å; I510-S513 PolarHBondContact O-OG 3.07Å; R511-S513 PolarHBondContact O-N 2.92Å |
| 514 | V | 38.6 | Very low | 37.7 | Very low | 108.5 Ų | 108.5 | 113.8 Ų | 113.8 | 66% | 0.658 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -98.8 | 19.4 | -177.9 | -177 | 0 | 0 | 0 | 0 | 112.7 | I510 R511 S516 S518 | I510-V514 VanDerWaalsContact O-CG2 3.28Å; I510-V514 WeakPolarHBondContact O-CG2 3.35Å; I510-V514 PolarHBondContact O-N 3.46Å; R511-V514 PolarHBondContact O-N 2.94Å; V514-S516 VanDerWaalsContact C-N 3.25Å; V514-S516 PolarHBondContact O-N 2.84Å; V514-S518 PolarHBondContact O-OG 3.13Å |
| 515 | K | 36.3 | Very low | 36.8 | Very low | 125.5 Ų | 125.5 | 115.3 Ų | 115.3 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -101.4 | 32.6 | 170.2 | -82.6 | -176.8 | 178.4 | 175.8 | 0 | 112.6 | R511 S517 E582 | R511-K515 PolarHBondContact O-N 3.21Å; R511-K515 VanDerWaalsContact O-N 3.11Å; K515-S517 PolarHBondContact O-N 3.2Å; K515-E582 IonicContact NZ-OE2 3.58Å; K515-E582 PolarHBondContact NZ-OE2 3.11Å |
| 516 | S | 31.5 | Very low | 36.1 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 72.7 | 176.7 | -74.2 | 0 | 0 | 0 | 0 | 112.8 | D512 V514 | D512-S516 PolarHBondContact O-OG 3.48Å; V514-S516 VanDerWaalsContact C-N 3.25Å; V514-S516 PolarHBondContact O-N 2.84Å |
| 517 | S | 28.5 | Very low | 35.4 | Very low | 112.5 Ų | 112.5 | 124.7 Ų | 124.7 | 79% | 0.787 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.7 | 43.8 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 117.8 | K515 | K515-S517 PolarHBondContact O-N 3.2Š|
| 518 | S | 29.7 | Very low | 34.8 | Very low | 96.5 Ų | 96.5 | 128.2 Ų | 128.2 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -152.4 | 61 | 155 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | V514 | V514-S518 PolarHBondContact O-OG 3.13Š|
| 519 | L | 30.8 | Very low | 33.9 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | trans | -166.3 | 79.1 | 159.5 | -80.2 | 170.4 | 0 | 0 | 0 | 111.1 | ||||
| 520 | R | 27.8 | Very low | 33.3 | Very low | 239.5 Ų | 239.5 | 137.8 Ų | 137.8 | 90% | 0.904 | 72% | 0.715 | S | S | * | * | trans | -120.5 | 126 | 155.2 | -77.4 | -175.6 | 170.8 | 174.4 | -3.1 | 108.3 | ||||
| 521 | I | 31.7 | Very low | 32.6 | Very low | 146.5 Ų | 146.5 | 140.6 Ų | 140.6 | 75% | 0.751 | 73% | 0.73 | S | S | * | * | trans | 148 | 123.3 | 176.6 | -58.4 | 173.7 | 0 | 0 | 0 | 107.4 | ||||
| 522 | D | 28.3 | Very low | 32.2 | Very low | 136.5 Ų | 136.5 | 139 Ų | 139 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | cis | -146.4 | 151.8 | -2.8 | -89.5 | -30.6 | 0 | 0 | 0 | 110.5 | ||||
| 523 | N | 32.7 | Very low | 31.9 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | 177.3 | 114.4 | 133.5 | -108.9 | -44.5 | 0 | 0 | 0 | 114.4 | ||||
| 524 | Q | 34 | Very low | 31.6 | Very low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | 135 | 109.6 | 166.1 | -99.5 | 166.3 | 63.8 | 0 | 0 | 115.4 | ||||
| 525 | G | 29.2 | Very low | 31.3 | Very low | 74 Ų | 74 | 143.1 Ų | 143.1 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | -163.6 | 96.8 | -93.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 526 | R | 31.7 | Very low | 31.1 | Very low | 244.5 Ų | 244.5 | 142.7 Ų | 142.7 | 92% | 0.923 | 77% | 0.766 | S | S | * | * | trans | -173.3 | 112.7 | 154.7 | -104.5 | 165.3 | -164.8 | -154.3 | 4.3 | 112 | ||||
| 527 | T | 27.9 | Very low | 31.2 | Very low | 122.5 Ų | 122.5 | 142.4 Ų | 142.4 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -11.5 | 138.3 | 154.6 | 48.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 528 | L | 31.1 | Very low | 31.4 | Very low | 153.5 Ų | 153.5 | 142.7 Ų | 142.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 127.7 | 117 | 142.1 | -74.2 | 158.2 | 0 | 0 | 0 | 115.1 | ||||
| 529 | E | 30.8 | Very low | 31.6 | Very low | 173.5 Ų | 173.5 | 144 Ų | 144 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | 125.7 | 158.5 | 65.7 | -104.8 | 171.2 | -167 | 0 | 0 | 119.4 | |||||
| 530 | Y | 30.7 | Very low | 31.8 | Very low | 210 Ų | 210 | 142.6 Ų | 142.6 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | 170.3 | 160.1 | 174.8 | -114.7 | -99 | 0 | 0 | 0 | 120 | ||||
| 531 | D | 32.3 | Very low | 32.1 | Very low | 151.5 Ų | 151.5 | 137.8 Ų | 137.8 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -10 | 160.3 | -178.5 | -58.9 | -61.2 | 0 | 0 | 0 | 119.4 | ||||
| 532 | G | 34.8 | Very low | 32.1 | Very low | 58 Ų | 58 | 137.9 Ų | 137.9 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | cis | 168.2 | 171.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 533 | T | 34.3 | Very low | 32.2 | Very low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | 96.9 | 167.5 | 164.2 | 66.5 | 0 | 0 | 0 | 0 | 120.6 | L559 | T533-L559 WeakPolarHBondContact CB-O 3.36Å; T533-L559 PolarHBondContact OG1-O 3.46Å | ||
| 534 | T | 31 | Very low | 32.3 | Very low | 102.5 Ų | 102.5 | 136 Ų | 136 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | -165.5 | -161.1 | -102.6 | 45.8 | 0 | 0 | 0 | 0 | 114.1 | K558 L559 S560 | T534-K558 WeakPolarHBondContact OG1-CA 3.35Å; T534-K558 PolarHBondContact OG1-N 2.78Å; T534-K558 PolarHBondContact OG1-O 3.46Å; T534-L559 CarbonylContact C-O 3.5Å; T534-L559 VanDerWaalsContact C-O 3.28Å; T534-L559 WeakPolarHBondContact CA-O 3.34Å; T534-L559 PolarHBondContact N-O 3.04Å; T534-L559 CarbonylContact O-C 3.57Å; T534-S560 WeakPolarHBondContact O-CA 3.45Å; T534-S560 PolarHBondContact O-N 3.25Å | |||
| 535 | L | 32.2 | Very low | 32.2 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 59% | 0.586 | 72% | 0.719 | S | S | * | * | trans | 80.4 | 121.3 | 173.3 | -107.1 | 122.2 | 0 | 0 | 0 | 120.3 | K558 L559 T561 | L535-K558 HydrophobicContact CD1-CB 4.15Å; L535-K558 HydrophobicContact CD1-CD 4.22Å; L535-K558 HydrophobicContact CD1-CG 3.87Å; L535-L559 VanDerWaalsContact CB-N 3.31Å; L535-L559 VanDerWaalsContact N-N 3.18Å; L535-T561 HydrophobicContact CD2-CG2 4.44Å | ||
| 536 | N | 32.4 | Very low | 32.3 | Very low | 115.5 Ų | 115.5 | 138.3 Ų | 138.3 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | cis | 91.5 | 134.7 | 41.6 | -146.3 | 5.6 | 0 | 0 | 0 | 122.3 | K558 | N536-K558 HydrophobicContact CB-CG 4.47Š| ||
| 537 | N | 32.7 | Very low | 32.2 | Very low | 102.5 Ų | 102.5 | 133.9 Ų | 133.9 | 55% | 0.548 | 71% | 0.707 | S | S | . | * | trans | 70.2 | 135.1 | 153.2 | -77 | 44.3 | 0 | 0 | 0 | 122.7 | K558 | N537-K558 VanDerWaalsContact CG-CE 3.42Å; N537-K558 WeakPolarHBondContact OD1-CE 3.15Å | ||
| 538 | N | 33.5 | Very low | 32.6 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | 138.5 | 143.5 | 62.6 | -96.3 | 22.4 | 0 | 0 | 0 | 117.8 | |||||
| 539 | N | 34.4 | Very low | 32.6 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | trans | 81.9 | 130.7 | 140.5 | -67.5 | 3.8 | 0 | 0 | 0 | 119.6 | ||||
| 540 | N | 34.2 | Very low | 32.8 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | 142.1 | 150.7 | 59.9 | -90.2 | 5.2 | 0 | 0 | 0 | 117 | |||||
| 541 | N | 33.9 | Very low | 32.8 | Very low | 137.5 Ų | 137.5 | 126.1 Ų | 126.1 | 74% | 0.735 | 70% | 0.704 | S | S | * | * | trans | 80.4 | 122.1 | 151.6 | -62.1 | -8.4 | 0 | 0 | 0 | 119 | ||||
| 542 | L | 31 | Very low | 32.9 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | cis | 127.8 | 131.5 | 43.4 | -137.7 | 76.2 | 0 | 0 | 0 | 112.1 | ||||
| 543 | V | 32 | Very low | 33 | Very low | 117.5 Ų | 117.5 | 128.3 Ų | 128.3 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | 148.2 | -180 | 64.5 | -166.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 544 | D | 33.7 | Very low | 33.1 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | 142 | 164.9 | 87.7 | -109.4 | -7.8 | 0 | 0 | 0 | 115.1 | |||||
| 545 | R | 32.3 | Very low | 33.4 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | -103.3 | 160 | -107.5 | -92.8 | 166.5 | 88.8 | 138.4 | 9.4 | 113.9 | |||||
| 546 | E | 31.6 | Very low | 33.5 | Very low | 133.5 Ų | 133.5 | 128.9 Ų | 128.9 | 62% | 0.624 | 70% | 0.702 | S | S | * | * | 136.9 | 137.1 | 72.1 | -95.2 | 161.1 | -178.6 | 0 | 0 | 116.3 | |||||
| 547 | D | 30 | Very low | 33.7 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | 64.3 | 132 | 142.1 | -63.7 | -20.2 | 0 | 0 | 0 | 122.5 | ||||
| 548 | S | 35.8 | Very low | 33.8 | Very low | 122.5 Ų | 122.5 | 134 Ų | 134 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | trans | 135.2 | 130.5 | 155.3 | 45.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 549 | I | 31.8 | Very low | 33.6 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | trans | -150.7 | 148.5 | -169.9 | -78.6 | 177 | 0 | 0 | 0 | 106.5 | ||||
| 550 | P | 34.4 | Very low | 33.5 | Very low | 106.5 Ų | 106.5 | 132.1 Ų | 132.1 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | cis | -134.3 | -179.1 | 22.8 | 30.3 | -7.6 | 0 | 0 | 0 | 116.8 | ||||
| 551 | S | 29.9 | Very low | 33.5 | Very low | 105.5 Ų | 105.5 | 131.8 Ų | 131.8 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | 152.7 | 130.4 | 138.6 | 58.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 552 | N | 34.8 | Very low | 33.5 | Very low | 130.5 Ų | 130.5 | 132.7 Ų | 132.7 | 70% | 0.698 | 71% | 0.711 | S | S | * | * | trans | 157.8 | 134.6 | 156.1 | -80.2 | 54.3 | 0 | 0 | 0 | 114.9 | ||||
| 553 | D | 36.1 | Very low | 33.5 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | 145.6 | 116.8 | 64 | -79.2 | -41.8 | 0 | 0 | 0 | 114.6 | |||||
| 554 | S | 37.2 | Very low | 33.5 | Very low | 88.5 Ų | 88.5 | 131.3 Ų | 131.3 | 62% | 0.619 | 71% | 0.708 | S | S | * | * | 73.8 | 128.4 | 97.6 | 80.1 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 555 | N | 36.7 | Very low | 33.5 | Very low | 138.5 Ų | 138.5 | 132.5 Ų | 132.5 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | 130.3 | 116.2 | 139.5 | -70.5 | -59.4 | 0 | 0 | 0 | 116.7 | ||||
| 556 | I | 36 | Very low | 33.5 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 68% | 0.677 | 72% | 0.723 | S | S | * | * | 117.7 | 121.5 | 64.8 | -88 | 167.8 | 0 | 0 | 0 | 117.6 | |||||
| 557 | K | 35.1 | Very low | 33.5 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | 120 | 152.9 | 133.9 | -85.8 | 160.4 | -168.1 | 171.9 | 0 | 119.1 | ||||
| 558 | K | 34.5 | Very low | 33.7 | Very low | 151.5 Ų | 151.5 | 136.2 Ų | 136.2 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | 123.6 | 117.4 | -123.4 | -82.1 | -175.3 | 175.7 | -174 | 0 | 115.1 | T534 L535 N536 N537 | T534-K558 WeakPolarHBondContact OG1-CA 3.35Å; T534-K558 PolarHBondContact OG1-N 2.78Å; T534-K558 PolarHBondContact OG1-O 3.46Å; L535-K558 HydrophobicContact CD1-CB 4.15Å; L535-K558 HydrophobicContact CD1-CD 4.22Å; L535-K558 HydrophobicContact CD1-CG 3.87Å; N536-K558 HydrophobicContact CB-CG 4.47Å; N537-K558 VanDerWaalsContact CG-CE 3.42Å; N537-K558 WeakPolarHBondContact OD1-CE 3.15Å | |||
| 559 | L | 30.8 | Very low | 33.5 | Very low | 133.5 Ų | 133.5 | 139.2 Ų | 139.2 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | 93.2 | 117.8 | 110.6 | -164.1 | 81.3 | 0 | 0 | 0 | 115.2 | T533 T534 L535 | T533-L559 WeakPolarHBondContact CB-O 3.36Å; T533-L559 PolarHBondContact OG1-O 3.46Å; T534-L559 CarbonylContact C-O 3.5Å; T534-L559 VanDerWaalsContact C-O 3.28Å; T534-L559 WeakPolarHBondContact CA-O 3.34Å; T534-L559 PolarHBondContact N-O 3.04Å; T534-L559 CarbonylContact O-C 3.57Å; L535-L559 VanDerWaalsContact CB-N 3.31Å; L535-L559 VanDerWaalsContact N-N 3.18Å | |||
| 560 | S | 30.9 | Very low | 33.4 | Very low | 72.5 Ų | 72.5 | 138.5 Ų | 138.5 | 51% | 0.507 | 73% | 0.727 | S | S | . | * | cis | 123.7 | 127.4 | -10.8 | 68.5 | 0 | 0 | 0 | 0 | 116.2 | T534 | T534-S560 WeakPolarHBondContact O-CA 3.45Å; T534-S560 PolarHBondContact O-N 3.25Å | ||
| 561 | T | 34 | Very low | 33.4 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | 123.9 | 153.9 | 97.8 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | L535 | L535-T561 HydrophobicContact CD2-CG2 4.44Š| |||
| 562 | Q | 34.5 | Very low | 33.4 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | cis | 132.5 | 146.6 | 48.6 | -71.7 | -171.3 | 3.7 | 0 | 0 | 116.3 | ||||
| 563 | N | 30.9 | Very low | 33.5 | Very low | 135.5 Ų | 135.5 | 138 Ų | 138 | 73% | 0.725 | 72% | 0.718 | S | S | * | * | trans | 60 | 139.4 | 145.9 | -56.5 | -20.6 | 0 | 0 | 0 | 121.9 | ||||
| 564 | S | 33.2 | Very low | 33.7 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | cis | -174.6 | 121.2 | 31.1 | 59.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 565 | N | 32.1 | Very low | 34 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | trans | 122.6 | 130.8 | 145.1 | -79.7 | -24.4 | 0 | 0 | 0 | 116.8 | H567 | N565-H567 PolarHBondContact O-N 3.09Š| ||
| 566 | H | 32.5 | Very low | 34.4 | Very low | 187.5 Ų | 187.5 | 130.8 Ų | 130.8 | 87% | 0.868 | 68% | 0.679 | S | S | * | * | trans | -107.1 | 121.9 | 156.2 | -91 | -70.7 | 0 | 0 | 0 | 112.7 | ||||
| 567 | H | 32.9 | Very low | 35.3 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 81% | 0.806 | 66% | 0.663 | S | S | * | * | trans | -105.1 | 117.5 | 165.9 | -87.6 | -11.2 | 0 | 0 | 0 | 110.8 | N565 | N565-H567 PolarHBondContact O-N 3.09Š| ||
| 568 | H | 34.1 | Very low | 37 | Very low | 187.5 Ų | 187.5 | 123 Ų | 123 | 87% | 0.868 | 65% | 0.647 | S | S | * | * | trans | -99.2 | 120.3 | 153.8 | -88.1 | -34.6 | 0 | 0 | 0 | 108.7 | H570 | H568-H570 PolarHBondContact O-N 3.45Å; H568-H570 VanDerWaalsContact O-N 3.11Å | ||
| 569 | H | 31.2 | Very low | 38.9 | Very low | 185.5 Ų | 185.5 | 116.3 Ų | 116.3 | 86% | 0.859 | 62% | 0.619 | S | S | * | * | trans | -67.2 | 100.7 | 170.1 | -86.3 | -76.1 | 0 | 0 | 0 | 109.7 | ||||
| 570 | H | 29.4 | Very low | 41.4 | Very low | 146.5 Ų | 146.5 | 110.4 Ų | 110.4 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | trans | -87.1 | 125.8 | 159.1 | -126.1 | -78.5 | 0 | 0 | 0 | 107.9 | H568 T572 | H568-H570 PolarHBondContact O-N 3.45Å; H568-H570 VanDerWaalsContact O-N 3.11Å; H570-T572 PolarHBondContact O-N 3.19Å | ||
| 571 | P | 33.5 | Very low | 43.8 | Very low | 102.5 Ų | 102.5 | 110.9 Ų | 110.9 | 67% | 0.666 | 59% | 0.585 | S | S | * | * | trans | -63.8 | 138.3 | 172.8 | 27.1 | -33.1 | 0 | 0 | 0 | 109.5 | I573 | P571-I573 PolarHBondContact O-N 3.16Š| ||
| 572 | T | 29.9 | Very low | 46 | Very low | 107 Ų | 107 | 107.8 Ų | 107.8 | 66% | 0.656 | 56% | 0.563 | S | S | * | * | trans | -65.1 | 111.7 | -172.4 | 44.6 | 0 | 0 | 0 | 0 | 112.5 | H570 T574 | H570-T572 PolarHBondContact O-N 3.19Å; T572-T574 PolarHBondContact O-N 3.03Å | ||
| 573 | I | 37.6 | Very low | 48.5 | Very low | 122.5 Ų | 122.5 | 100.3 Ų | 100.3 | 63% | 0.628 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -77 | 2.6 | 175 | -60.7 | 172.2 | 0 | 0 | 0 | 111.6 | P571 T575 | P571-I573 PolarHBondContact O-N 3.16Å; I573-T575 VanDerWaalsContact C-N 3.31Å; I573-T575 PolarHBondContact O-N 2.99Å |
| 574 | T | 40.2 | Very low | 51.1 | Low | 95.5 Ų | 95.5 | 94.9 Ų | 94.9 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.6 | -172.5 | 49.6 | 0 | 0 | 0 | 0 | 115.2 | T572 N576 N578 | T572-T574 PolarHBondContact O-N 3.03Å; T574-N576 VanDerWaalsContact C-N 3.29Å; T574-N576 PolarHBondContact O-N 2.82Å; T574-N578 PolarHBondContact O-OD1 3Å |
| 575 | T | 44 | Very low | 53.6 | Low | 73 Ų | 73 | 98.4 Ų | 98.4 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -74.2 | -22.7 | -175 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | I573 N578 | I573-T575 VanDerWaalsContact C-N 3.31Å; I573-T575 PolarHBondContact O-N 2.99Å; T575-N578 WeakPolarHBondContact O-CB 3.26Å |
| 576 | N | 46 | Very low | 56 | Low | 32.5 Ų | 32.5 | 92 Ų | 92 | 17% | 0.174 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27.4 | -167.1 | -70.5 | 13.1 | 0 | 0 | 0 | 113.6 | T460 M464 T574 N578 | T460-N576 WeakPolarHBondContact CG2-O 3.23Å; M464-N576 HydrophobicContact CE-CB 3.84Å; T574-N576 VanDerWaalsContact C-N 3.29Å; T574-N576 PolarHBondContact O-N 2.82Å; N576-N578 VanDerWaalsContact C-N 3.31Å; N576-N578 PolarHBondContact O-N 3.23Å |
| 577 | N | 54.2 | Low | 58.6 | Low | 65 Ų | 65 | 83.1 Ų | 83.1 | 35% | 0.348 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -36.1 | 175 | -68.8 | -0.6 | 0 | 0 | 0 | 111.4 | M464 V579 V580 D581 H1189 | M464-N577 VanDerWaalsContact CE-OD1 3.25Å; M464-N577 WeakPolarHBondContact CE-OD1 3.33Å; N577-V579 PolarHBondContact O-N 3.1Å; N577-V580 PolarHBondContact O-N 3.22Å; N577-V580 VanDerWaalsContact O-N 3.08Å; N577-D581 VanDerWaalsContact C-OD2 3.31Å; N577-D581 PolarHBondContact O-N 3.32Å; N577-D581 VanDerWaalsContact O-N 3.15Å; N577-H1189 PolarHBondContact ND2-NE2 2.78Å |
| 578 | N | 69.9 | Low | 61.1 | Low | 77.5 Ų | 77.5 | 76.5 Ų | 76.5 | 41% | 0.414 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -51.9 | -26.5 | -177.5 | -58.7 | -1.4 | 0 | 0 | 0 | 114.4 | T574 T575 N576 E582 | T574-N578 PolarHBondContact O-OD1 3Å; T575-N578 WeakPolarHBondContact O-CB 3.26Å; N576-N578 VanDerWaalsContact C-N 3.31Å; N576-N578 PolarHBondContact O-N 3.23Å; N578-E582 WeakPolarHBondContact O-CB 3.3Å; N578-E582 VanDerWaalsContact O-CG 3.26Å; N578-E582 WeakPolarHBondContact O-CG 3.41Å; N578-E582 PolarHBondContact O-N 3.14Å |
| 579 | V | 75.7 | Confident | 63.5 | Low | 10 Ų | 10 | 72.3 Ų | 72.3 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 179.9 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | L410 R414 N577 F583 | L410-V579 HydrophobicContact CB-CG1 4.41Å; R414-V579 HydrophobicContact CB-CG1 3.92Å; R414-V579 WeakPolarHBondContact CD-O 3.33Å; R414-V579 HydrophobicContact CG-CG1 4.35Å; R414-V579 WeakPolarHBondContact CG-O 3.45Å; N577-V579 PolarHBondContact O-N 3.1Å; V579-F583 PolarHBondContact O-N 3.04Å |
| 580 | V | 81.9 | Confident | 66.1 | Low | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77.4 | -40.1 | 179.1 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | Y453 L456 N577 E582 F583 L584 | Y453-V580 HydrophobicContact CD2-CG1 3.51Å; Y453-V580 HydrophobicContact CE2-CG1 3.31Å; L456-V580 HydrophobicContact CB-CG2 4.3Å; N577-V580 PolarHBondContact O-N 3.22Å; N577-V580 VanDerWaalsContact O-N 3.08Å; V580-E582 PolarHBondContact O-N 3.17Å; V580-F583 WeakPolarHBondContact O-CB 3.3Å; V580-F583 PolarHBondContact O-N 3.02Å; V580-F583 VanDerWaalsContact O-N 3.14Å; V580-L584 HydrophobicContact CG1-CD1 4.4Å; V580-L584 PolarHBondContact O-N 3.04Å |
| 581 | D | 81.3 | Confident | 68.7 | Low | 83 Ų | 83 | 56.7 Ų | 56.7 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 179.6 | -58.3 | -30.5 | 0 | 0 | 0 | 112.3 | N577 F583 L584 R585 | N577-D581 VanDerWaalsContact C-OD2 3.31Å; N577-D581 PolarHBondContact O-N 3.32Å; N577-D581 VanDerWaalsContact O-N 3.15Å; D581-F583 VanDerWaalsContact C-N 3.32Å; D581-F583 PolarHBondContact O-N 2.87Å; D581-L584 PolarHBondContact O-N 3.22Å; D581-R585 VanDerWaalsContact O-CB 3.26Å; D581-R585 WeakPolarHBondContact O-CB 3.49Å; D581-R585 PolarHBondContact O-N 3.17Å |
| 582 | E | 80.7 | Confident | 71.1 | Confident | 54.5 Ų | 54.5 | 54.5 Ų | 54.5 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 173.2 | -84.3 | -168.9 | -110.4 | 0 | 0 | 112.4 | R414 R511 K515 N578 V580 R585 T586 | R414-E582 IonicContact CZ-OE1 3.22Å; R414-E582 IonicContact CZ-OE2 3.08Å; R414-E582 IonicContact NH1-OE1 3.37Å; R414-E582 PolarHBondContact NH1-OE1 2.86Å; R414-E582 IonicContact NH1-OE2 3.46Å; R414-E582 PolarHBondContact NH1-OE2 3.49Å; R414-E582 IonicContact NH2-OE1 3.24Å; R414-E582 PolarHBondContact NH2-OE1 3.39Å; R414-E582 IonicContact NH2-OE2 3.31Å; R414-E582 PolarHBondContact NH2-OE2 3.43Å; R511-E582 IonicContact CZ-OE2 3.06Å; R511-E582 IonicContact NH2-OE2 2.69Å; R511-E582 PolarHBondContact NH2-OE2 3.47Å; K515-E582 IonicContact NZ-OE2 3.58Å; K515-E582 PolarHBondContact NZ-OE2 3.11Å; N578-E582 WeakPolarHBondContact O-CB 3.3Å; N578-E582 VanDerWaalsContact O-CG 3.26Å; N578-E582 WeakPolarHBondContact O-CG 3.41Å; N578-E582 PolarHBondContact O-N 3.14Å; V580-E582 PolarHBondContact O-N 3.17Å; E582-R585 PolarHBondContact O-N 3.41Å; E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.43Å; E582-T586 VanDerWaalsContact O-N 3.15Å; E582-T586 PolarHBondContact O-OG1 3.19Å |
| 583 | F | 86.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -52.9 | 172.8 | 172.5 | -96.8 | 0 | 0 | 0 | 110.7 | R414 E418 F421 S452 L456 V579 V580 D581 R585 T586 S587 | R414-F583 HydrophobicContact CG-CB 4.42Å; E418-F583 HydrophobicContact CG-CD2 4.41Å; F421-F583 HydrophobicContact CD2-CE2 4.33Å; F421-F583 AromaticContact CE2-CE2 3.65Å; F421-F583 HydrophobicContact CE2-CE2 3.65Å; F421-F583 AromaticContact CE2-CZ 3.74Å; F421-F583 HydrophobicContact CE2-CZ 3.74Å; F421-F583 HydrophobicContact CZ-CZ 4.26Å; S452-F583 VanDerWaalsContact CB-CZ 3.43Å; L456-F583 HydrophobicContact CD1-CB 3.87Å; L456-F583 HydrophobicContact CD1-CD1 4.18Å; L456-F583 HydrophobicContact CD1-CD2 3.88Å; L456-F583 HydrophobicContact CD1-CE2 4.48Å; L456-F583 HydrophobicContact CD1-CG 3.69Å; V579-F583 PolarHBondContact O-N 3.04Å; V580-F583 WeakPolarHBondContact O-CB 3.3Å; V580-F583 PolarHBondContact O-N 3.02Å; V580-F583 VanDerWaalsContact O-N 3.14Å; D581-F583 VanDerWaalsContact C-N 3.32Å; D581-F583 PolarHBondContact O-N 2.87Å; F583-R585 VanDerWaalsContact C-N 3.34Å; F583-R585 PolarHBondContact O-N 3.03Å; F583-T586 WeakPolarHBondContact O-CA 3.46Å; F583-T586 WeakPolarHBondContact O-CB 3.37Å; F583-T586 PolarHBondContact O-N 3.21Å; F583-T586 PolarHBondContact O-OG1 3.28Å; F583-S587 PolarHBondContact O-N 3.22Å; F583-S587 PolarHBondContact O-OG 3.12Å |
| 584 | L | 85.4 | Confident | 75.8 | Confident | 23.5 Ų | 23.5 | 47.3 Ų | 47.3 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.1 | -41 | 177 | -75.5 | 178 | 0 | 0 | 0 | 112 | Y453 V580 D581 T586 S587 H588 F649 C653 | Y453-L584 HydrophobicContact CD2-CD1 4.05Å; Y453-L584 HydrophobicContact CD2-CD2 3.79Å; Y453-L584 HydrophobicContact CD2-CG 3.95Å; Y453-L584 HydrophobicContact CE2-CD1 3.76Å; Y453-L584 HydrophobicContact CE2-CD2 4.29Å; Y453-L584 HydrophobicContact CE2-CG 4.19Å; Y453-L584 HydrophobicContact CG-CD2 4.46Å; V580-L584 HydrophobicContact CG1-CD1 4.4Å; V580-L584 PolarHBondContact O-N 3.04Å; D581-L584 PolarHBondContact O-N 3.22Å; L584-T586 VanDerWaalsContact C-N 3.33Å; L584-T586 PolarHBondContact O-N 3.16Å; L584-S587 PolarHBondContact O-N 3.07Å; L584-H588 VanDerWaalsContact O-CB 3.31Å; L584-H588 WeakPolarHBondContact O-CB 3.35Å; L584-H588 PolarHBondContact O-N 3.13Å; L584-F649 HydrophobicContact CD2-CE2 4.17Å; L584-F649 HydrophobicContact CD2-CZ 3.91Å; L584-C653 HydrophobicContact CD1-CB 4.25Å; L584-C653 HydrophobicContact CD2-CB 4.25Å |
| 585 | R | 85.5 | Confident | 77.8 | Confident | 172 Ų | 172 | 46.1 Ų | 46.1 | 65% | 0.649 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.8 | -36.1 | 174.8 | -174.1 | 177.6 | 121.1 | 161 | -0.4 | 112.6 | D581 E582 F583 L589 | D581-R585 VanDerWaalsContact O-CB 3.26Å; D581-R585 WeakPolarHBondContact O-CB 3.49Å; D581-R585 PolarHBondContact O-N 3.17Å; E582-R585 PolarHBondContact O-N 3.41Å; F583-R585 VanDerWaalsContact C-N 3.34Å; F583-R585 PolarHBondContact O-N 3.03Å; R585-L589 PolarHBondContact O-N 3.09Å; R585-L589 VanDerWaalsContact O-N 3.08Å |
| 586 | T | 84.3 | Confident | 79.5 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 14% | 0.141 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.2 | -36.3 | 176.1 | 5 | 0 | 0 | 0 | 0 | 112.4 | E418 F421 R422 E582 F583 L584 L589 F590 | E418-T586 HydrophobicContact CB-CG2 4.18Å; E418-T586 HydrophobicContact CG-CG2 4.03Å; F421-T586 HydrophobicContact CB-CG2 4.17Å; R422-T586 HydrophobicContact CG-CG2 4.25Å; E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.43Å; E582-T586 VanDerWaalsContact O-N 3.15Å; E582-T586 PolarHBondContact O-OG1 3.19Å; F583-T586 WeakPolarHBondContact O-CA 3.46Å; F583-T586 WeakPolarHBondContact O-CB 3.37Å; F583-T586 PolarHBondContact O-N 3.21Å; F583-T586 PolarHBondContact O-OG1 3.28Å; L584-T586 VanDerWaalsContact C-N 3.33Å; L584-T586 PolarHBondContact O-N 3.16Å; T586-L589 PolarHBondContact O-N 3.43Å; T586-F590 PolarHBondContact O-N 2.99Å |
| 587 | S | 86.1 | Confident | 81.2 | Confident | 1.5 Ų | 1.5 | 46.8 Ų | 46.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | 172.5 | -57.9 | 0 | 0 | 0 | 0 | 112 | F421 F583 L584 L589 F590 F591 | F421-S587 WeakPolarHBondContact CE2-OG 3.2Å; F421-S587 WeakPolarHBondContact CZ-OG 3.33Å; F583-S587 PolarHBondContact O-N 3.22Å; F583-S587 PolarHBondContact O-OG 3.12Å; L584-S587 PolarHBondContact O-N 3.07Å; S587-L589 PolarHBondContact O-N 2.91Å; S587-F590 WeakPolarHBondContact O-CB 3.32Å; S587-F590 PolarHBondContact O-N 3.17Å; S587-F590 VanDerWaalsContact O-N 3.12Å; S587-F591 VanDerWaalsContact O-CD2 3.23Å; S587-F591 WeakPolarHBondContact O-CD2 3.44Å; S587-F591 PolarHBondContact O-N 2.92Å |
| 588 | H | 84.9 | Confident | 82.6 | Confident | 34 Ų | 34 | 46 Ų | 46 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 174.8 | 176.5 | 54.6 | 0 | 0 | 0 | 112 | L584 F590 F591 S592 L654 P655 Y659 | L584-H588 VanDerWaalsContact O-CB 3.31Å; L584-H588 WeakPolarHBondContact O-CB 3.35Å; L584-H588 PolarHBondContact O-N 3.13Å; H588-F590 PolarHBondContact O-N 3.08Å; H588-F591 PolarHBondContact O-N 3.11Å; H588-F591 VanDerWaalsContact O-N 3.08Å; H588-S592 WeakPolarHBondContact O-CB 3.34Å; H588-S592 PolarHBondContact O-N 3.21Å; H588-S592 PolarHBondContact O-OG 2.94Å; H588-L654 HydrophobicContact CB-CD2 3.92Å; H588-P655 VanDerWaalsContact CD2-CG 3.48Å; H588-P655 WeakPolarHBondContact CD2-CG 3.42Å; H588-P655 WeakPolarHBondContact NE2-CG 3.24Å; H588-Y659 AromaticContact CE1-CE2 3.77Å; H588-Y659 AromaticContact CE1-CZ 3.89Å; H588-Y659 AromaticContact ND1-CZ 3.62Å; H588-Y659 PolarHBondContact ND1-OH 2.92Å |
| 589 | L | 85 | Confident | 83.3 | Confident | 101 Ų | 101 | 43 Ų | 43 | 53% | 0.529 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.2 | -24.5 | 174.7 | -172 | 94 | 0 | 0 | 0 | 113.2 | V425 R585 T586 S587 S592 N593 | V425-L589 HydrophobicContact CG2-CD2 4.35Å; R585-L589 PolarHBondContact O-N 3.09Å; R585-L589 VanDerWaalsContact O-N 3.08Å; T586-L589 PolarHBondContact O-N 3.43Å; S587-L589 PolarHBondContact O-N 2.91Å; L589-S592 WeakPolarHBondContact CA-OG 3.17Å; L589-S592 PolarHBondContact O-OG 3.4Å; L589-S592 VanDerWaalsContact O-OG 3.09Å; L589-N593 PolarHBondContact O-OD1 3.22Å |
| 590 | F | 86.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.7 | -47.3 | 170.1 | 159.9 | -90.7 | 0 | 0 | 0 | 111.4 | F421 L424 V425 I428 L438 I445 T586 S587 H588 S592 N593 I594 | F421-F590 HydrophobicContact CB-CB 4.27Å; F421-F590 HydrophobicContact CD1-CB 3.9Å; F421-F590 AromaticContact CD1-CD1 3.95Å; F421-F590 HydrophobicContact CD1-CD1 3.98Å; F421-F590 HydrophobicContact CD1-CD2 4.49Å; F421-F590 AromaticContact CD1-CG 3.87Å; F421-F590 HydrophobicContact CD1-CG 3.87Å; F421-F590 HydrophobicContact CE1-CD1 4.3Å; L424-F590 HydrophobicContact CB-CD2 3.75Å; L424-F590 HydrophobicContact CB-CE2 3.66Å; L424-F590 HydrophobicContact CD1-CD2 4.39Å; L424-F590 HydrophobicContact CD1-CE2 3.97Å; L424-F590 HydrophobicContact CD1-CZ 4.44Å; L424-F590 HydrophobicContact CD2-CE2 4.4Å; L424-F590 HydrophobicContact CG-CE2 4.25Å; V425-F590 HydrophobicContact CG2-CB 4.04Å; V425-F590 HydrophobicContact CG2-CD2 4.4Å; I428-F590 HydrophobicContact CD1-CD2 4.06Å; I428-F590 HydrophobicContact CD1-CE2 3.43Å; I428-F590 VanDerWaalsContact CD1-CE2 3.46Å; I428-F590 HydrophobicContact CD1-CZ 4.25Å; L438-F590 HydrophobicContact CD2-CE2 4.48Å; L438-F590 HydrophobicContact CD2-CZ 4.12Å; I445-F590 HydrophobicContact CD1-CE2 4.42Å; I445-F590 HydrophobicContact CD1-CZ 3.86Å; I445-F590 HydrophobicContact CG2-CD1 4.33Å; I445-F590 HydrophobicContact CG2-CE1 3.55Å; I445-F590 HydrophobicContact CG2-CZ 3.75Å; T586-F590 PolarHBondContact O-N 2.99Å; S587-F590 WeakPolarHBondContact O-CB 3.32Å; S587-F590 PolarHBondContact O-N 3.17Å; S587-F590 VanDerWaalsContact O-N 3.12Å; H588-F590 PolarHBondContact O-N 3.08Å; F590-S592 VanDerWaalsContact C-N 3.32Å; F590-S592 PolarHBondContact O-N 3Å; F590-N593 PolarHBondContact O-N 3.01Å; F590-N593 VanDerWaalsContact O-N 3.16Å; F590-I594 HydrophobicContact CD1-CD1 4.44Å; F590-I594 HydrophobicContact CE1-CD1 3.69Å; F590-I594 HydrophobicContact CE2-CD1 4.4Å; F590-I594 HydrophobicContact CZ-CD1 3.64Å |
| 591 | F | 84.7 | Confident | 83.9 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -30.7 | -179.7 | -74.1 | -64.2 | 0 | 0 | 0 | 113.3 | M446 T449 S587 H588 N593 I594 L599 L650 L654 Y659 | M446-F591 HydrophobicContact CG-CE1 4.14Å; M446-F591 HydrophobicContact CG-CZ 4.22Å; T449-F591 HydrophobicContact CG2-CE2 3.72Å; T449-F591 HydrophobicContact CG2-CZ 3.87Å; S587-F591 VanDerWaalsContact O-CD2 3.23Å; S587-F591 WeakPolarHBondContact O-CD2 3.44Å; S587-F591 PolarHBondContact O-N 2.92Å; H588-F591 PolarHBondContact O-N 3.11Å; H588-F591 VanDerWaalsContact O-N 3.08Å; F591-N593 PolarHBondContact O-N 3.1Å; F591-I594 HydrophobicContact CD1-CD1 4.27Å; F591-I594 PolarHBondContact O-N 3.15Å; F591-I594 VanDerWaalsContact O-N 3.11Å; F591-L599 HydrophobicContact CD1-CD2 4.46Å; F591-L650 HydrophobicContact CE2-CD2 3.99Å; F591-L650 HydrophobicContact CZ-CD2 3.96Å; F591-L654 HydrophobicContact CD2-CD1 3.63Å; F591-L654 HydrophobicContact CD2-CD2 4.1Å; F591-L654 HydrophobicContact CE2-CD1 3.85Å; F591-L654 HydrophobicContact CG-CD1 4.29Å; F591-Y659 VanDerWaalsContact C-OH 3.22Å; F591-Y659 HydrophobicContact CB-CE1 4.29Å; F591-Y659 VanDerWaalsContact CB-OH 3.28Å; F591-Y659 WeakPolarHBondContact CB-OH 3.42Å |
| 592 | S | 82.5 | Confident | 84.1 | Confident | 57 Ų | 57 | 44.9 Ų | 44.9 | 40% | 0.399 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.8 | 174.9 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | H588 L589 F590 I594 Y659 | H588-S592 WeakPolarHBondContact O-CB 3.34Å; H588-S592 PolarHBondContact O-N 3.21Å; H588-S592 PolarHBondContact O-OG 2.94Å; L589-S592 WeakPolarHBondContact CA-OG 3.17Å; L589-S592 PolarHBondContact O-OG 3.4Å; L589-S592 VanDerWaalsContact O-OG 3.09Å; F590-S592 VanDerWaalsContact C-N 3.32Å; F590-S592 PolarHBondContact O-N 3Å; S592-I594 VanDerWaalsContact C-N 3.33Å; S592-Y659 PolarHBondContact N-OH 2.98Å; S592-Y659 VanDerWaalsContact N-OH 3.14Å |
| 593 | N | 83.2 | Confident | 84.3 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1 | 174.4 | -69.7 | 19.5 | 0 | 0 | 0 | 112.6 | L589 F590 F591 | L589-N593 PolarHBondContact O-OD1 3.22Å; F590-N593 PolarHBondContact O-N 3.01Å; F590-N593 VanDerWaalsContact O-N 3.16Å; F591-N593 PolarHBondContact O-N 3.1Å |
| 594 | I | 83.4 | Confident | 84.2 | Confident | 8.5 Ų | 8.5 | 44.1 Ų | 44.1 | 4% | 0.044 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -100.3 | 130.8 | 174.7 | -57.7 | 178.9 | 0 | 0 | 0 | 108.6 | L438 L442 F590 F591 S592 S596 F598 L599 | L438-I594 HydrophobicContact CD1-CD1 4.41Å; L438-I594 HydrophobicContact CD1-CG1 4.2Å; L438-I594 HydrophobicContact CD2-CD1 3.8Å; L438-I594 HydrophobicContact CD2-CG1 4.41Å; L442-I594 HydrophobicContact CD1-CD1 4.13Å; F590-I594 HydrophobicContact CD1-CD1 4.44Å; F590-I594 HydrophobicContact CE1-CD1 3.69Å; F590-I594 HydrophobicContact CE2-CD1 4.4Å; F590-I594 HydrophobicContact CZ-CD1 3.64Å; F591-I594 HydrophobicContact CD1-CD1 4.27Å; F591-I594 PolarHBondContact O-N 3.15Å; F591-I594 VanDerWaalsContact O-N 3.11Å; S592-I594 VanDerWaalsContact C-N 3.33Å; I594-S596 PolarHBondContact O-N 3.08Å; I594-F598 HydrophobicContact CG2-CD1 3.91Å; I594-L599 HydrophobicContact CG2-CB 4.19Å |
| 595 | S | 81.5 | Confident | 84.2 | Confident | 69.5 Ų | 69.5 | 46.6 Ų | 46.6 | 49% | 0.486 | 23% | 0.233 | S | C | . | . | trans | -61 | 128.6 | 174.8 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | E597 F598 L599 | S595-E597 VanDerWaalsContact C-N 3.28Å; S595-E597 PolarHBondContact O-N 2.92Å; S595-F598 WeakPolarHBondContact O-CB 3.24Å; S595-F598 PolarHBondContact O-N 3.09Å; S595-F598 VanDerWaalsContact O-N 3.13Å; S595-F598 VanDerWaalsContact OG-CB 3.27Å; S595-F598 WeakPolarHBondContact OG-CB 3.41Å; S595-L599 PolarHBondContact O-N 2.94Å; S595-L599 VanDerWaalsContact O-N 3.12Å | ||
| 596 | S | 80.8 | Confident | 84 | Confident | 20.5 Ų | 20.5 | 39.6 Ų | 39.6 | 14% | 0.143 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -38.6 | -175.4 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | I594 F598 L599 W600 | I594-S596 PolarHBondContact O-N 3.08Å; S596-F598 VanDerWaalsContact C-N 3.33Å; S596-F598 PolarHBondContact O-N 3.15Å; S596-L599 PolarHBondContact O-N 3.11Å; S596-W600 PolarHBondContact O-N 3.42Å |
| 597 | E | 82.4 | Confident | 83.9 | Confident | 100 Ų | 100 | 38.6 Ų | 38.6 | 47% | 0.467 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.5 | -48 | 175.8 | -164.1 | -158.7 | 152.2 | 0 | 0 | 111.9 | S595 L599 K601 Y666 | S595-E597 VanDerWaalsContact C-N 3.28Å; S595-E597 PolarHBondContact O-N 2.92Å; E597-L599 PolarHBondContact O-N 2.94Å; E597-K601 HydrophobicContact CG-CD 4.03Å; E597-K601 VanDerWaalsContact O-CB 3.24Å; E597-K601 WeakPolarHBondContact O-CB 3.48Å; E597-K601 VanDerWaalsContact O-CG 3.3Å; E597-K601 WeakPolarHBondContact O-CG 3.28Å; E597-K601 PolarHBondContact O-N 3.13Å; E597-K601 IonicContact OE1-NZ 3.49Å; E597-K601 PolarHBondContact OE1-NZ 3.18Å; E597-Y666 WeakPolarHBondContact CA-OH 3.14Å; E597-Y666 HydrophobicContact CB-CE1 4.41Å; E597-Y666 WeakPolarHBondContact CB-OH 3.33Å; E597-Y666 HydrophobicContact CG-CE1 4.36Å; E597-Y666 PolarHBondContact N-OH 2.96Å |
| 598 | F | 83.6 | Confident | 83.7 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 179.1 | 178.2 | -97 | 0 | 0 | 0 | 111.7 | L438 D439 L442 I594 S595 S596 F602 | L438-F598 HydrophobicContact CB-CE1 3.96Å; L438-F598 HydrophobicContact CB-CZ 4.17Å; L438-F598 HydrophobicContact CD1-CE1 4.45Å; D439-F598 VanDerWaalsContact OD1-CE2 3.29Å; D439-F598 WeakPolarHBondContact OD1-CE2 3.26Å; D439-F598 VanDerWaalsContact OD1-CZ 3.27Å; D439-F598 WeakPolarHBondContact OD1-CZ 3.29Å; L442-F598 HydrophobicContact CD2-CD1 4.37Å; L442-F598 HydrophobicContact CD2-CE1 3.87Å; I594-F598 HydrophobicContact CG2-CD1 3.91Å; S595-F598 WeakPolarHBondContact O-CB 3.24Å; S595-F598 PolarHBondContact O-N 3.09Å; S595-F598 VanDerWaalsContact O-N 3.13Å; S595-F598 VanDerWaalsContact OG-CB 3.27Å; S595-F598 WeakPolarHBondContact OG-CB 3.41Å; S596-F598 VanDerWaalsContact C-N 3.33Å; S596-F598 PolarHBondContact O-N 3.15Å; F598-F602 WeakPolarHBondContact O-CB 3.16Å; F598-F602 PolarHBondContact O-N 3.31Å |
| 599 | L | 84.8 | Confident | 83.5 | Confident | 13.5 Ų | 13.5 | 44.3 Ų | 44.3 | 7% | 0.071 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | -179.9 | -179.7 | 60.6 | 0 | 0 | 0 | 112 | L442 M446 F591 I594 S595 S596 E597 F602 I603 | L442-L599 HydrophobicContact CD1-CD1 4.19Å; L442-L599 HydrophobicContact CD2-CD1 4.05Å; M446-L599 HydrophobicContact SD-CD1 4.34Å; F591-L599 HydrophobicContact CD1-CD2 4.46Å; I594-L599 HydrophobicContact CG2-CB 4.19Å; S595-L599 PolarHBondContact O-N 2.94Å; S595-L599 VanDerWaalsContact O-N 3.12Å; S596-L599 PolarHBondContact O-N 3.11Å; E597-L599 PolarHBondContact O-N 2.94Å; L599-F602 PolarHBondContact O-N 3.09Å; L599-I603 HydrophobicContact CD1-CD1 4.2Å; L599-I603 HydrophobicContact CG-CD1 4.16Å; L599-I603 VanDerWaalsContact O-CG1 3.31Å; L599-I603 WeakPolarHBondContact O-CG1 3.3Å; L599-I603 PolarHBondContact O-N 3.37Å |
| 600 | W | 84.6 | Confident | 83.1 | Confident | 19.5 Ų | 19.5 | 42 Ų | 42 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.2 | -40.3 | -177.2 | -68.6 | 109.4 | 0 | 0 | 0 | 112.5 | S596 F602 I603 E604 L651 M656 V662 Y666 L667 L670 | S596-W600 PolarHBondContact O-N 3.42Å; W600-F602 VanDerWaalsContact C-N 3.29Å; W600-F602 PolarHBondContact O-N 3.08Å; W600-I603 HydrophobicContact CD2-CD1 4.32Å; W600-I603 HydrophobicContact CE3-CD1 3.78Å; W600-I603 HydrophobicContact CH2-CD1 4.29Å; W600-I603 HydrophobicContact CZ3-CD1 3.78Å; W600-I603 WeakPolarHBondContact O-CB 3.44Å; W600-I603 PolarHBondContact O-N 3.05Å; W600-I603 VanDerWaalsContact O-N 3.12Å; W600-E604 WeakPolarHBondContact O-CB 3.25Å; W600-E604 PolarHBondContact O-N 3.37Å; W600-L651 HydrophobicContact CH2-CD2 3.89Å; W600-M656 HydrophobicContact CH2-CE 4.29Å; W600-M656 HydrophobicContact CZ2-CE 3.75Å; W600-V662 HydrophobicContact CD2-CG1 4.48Å; W600-V662 HydrophobicContact CH2-CG1 4.43Å; W600-V662 HydrophobicContact CZ2-CG1 3.57Å; W600-V662 VanDerWaalsContact NE1-CG2 3.33Å; W600-Y666 HydrophobicContact CB-CD1 3.82Å; W600-Y666 HydrophobicContact CB-CG 3.96Å; W600-Y666 AromaticContact CD1-CD2 3.79Å; W600-Y666 AromaticContact CD1-CG 3.69Å; W600-Y666 HydrophobicContact CG-CD1 4.27Å; W600-Y666 HydrophobicContact CG-CD2 4.34Å; W600-Y666 AromaticContact CG-CG 3.9Å; W600-Y666 HydrophobicContact CG-CG 3.9Å; W600-L667 HydrophobicContact CE3-CD2 4.39Å; W600-L667 HydrophobicContact CH2-CD2 3.97Å; W600-L667 HydrophobicContact CZ3-CD2 3.85Å; W600-L670 HydrophobicContact CE3-CD2 4.21Å; W600-L670 HydrophobicContact CZ3-CD2 4.07Å |
| 601 | K | 85.1 | Confident | 82.5 | Confident | 99 Ų | 99 | 42.1 Ų | 42.1 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.4 | -33.8 | 171.7 | -99.5 | 179.1 | -167.7 | 172.6 | 0 | 112.1 | E597 N605 | E597-K601 HydrophobicContact CG-CD 4.03Å; E597-K601 VanDerWaalsContact O-CB 3.24Å; E597-K601 WeakPolarHBondContact O-CB 3.48Å; E597-K601 VanDerWaalsContact O-CG 3.3Å; E597-K601 WeakPolarHBondContact O-CG 3.28Å; E597-K601 PolarHBondContact O-N 3.13Å; E597-K601 IonicContact OE1-NZ 3.49Å; E597-K601 PolarHBondContact OE1-NZ 3.18Å; K601-N605 VanDerWaalsContact O-CB 3.3Å; K601-N605 WeakPolarHBondContact O-CB 3.32Å; K601-N605 PolarHBondContact O-N 3.07Å; K601-N605 PolarHBondContact O-ND2 2.95Å |
| 602 | F | 84.9 | Confident | 81.5 | Confident | 23.6667 Ų | 23.6667 | 46.9 Ų | 46.9 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -46.3 | 171.3 | -177.7 | -91.3 | 0 | 0 | 0 | 111.1 | L442 L443 M446 F598 L599 W600 E604 N605 Q606 W643 | L442-F602 HydrophobicContact CB-CE1 4.17Å; L442-F602 HydrophobicContact CB-CE2 4.38Å; L442-F602 HydrophobicContact CB-CZ 4.04Å; L442-F602 HydrophobicContact CD2-CB 4.03Å; L442-F602 HydrophobicContact CD2-CD1 3.61Å; L442-F602 HydrophobicContact CD2-CD2 4.14Å; L442-F602 HydrophobicContact CD2-CE1 4.01Å; L442-F602 HydrophobicContact CD2-CE2 4.49Å; L442-F602 HydrophobicContact CD2-CG 3.67Å; L442-F602 HydrophobicContact CD2-CZ 4.42Å; L442-F602 HydrophobicContact CG-CD1 4.02Å; L442-F602 HydrophobicContact CG-CE1 3.93Å; L442-F602 HydrophobicContact CG-CG 4.45Å; L442-F602 HydrophobicContact CG-CZ 4.31Å; L443-F602 HydrophobicContact CB-CE1 4.46Å; L443-F602 HydrophobicContact CB-CZ 4.12Å; L443-F602 HydrophobicContact CD1-CE1 4.19Å; L443-F602 HydrophobicContact CD1-CZ 4.36Å; M446-F602 HydrophobicContact SD-CE1 4.41Å; F598-F602 WeakPolarHBondContact O-CB 3.16Å; F598-F602 PolarHBondContact O-N 3.31Å; L599-F602 PolarHBondContact O-N 3.09Å; W600-F602 VanDerWaalsContact C-N 3.29Å; W600-F602 PolarHBondContact O-N 3.08Å; F602-E604 PolarHBondContact O-N 3.09Å; F602-N605 PolarHBondContact O-N 3.16Å; F602-Q606 HydrophobicContact CD1-CG 4Å; F602-Q606 HydrophobicContact CE1-CG 3.73Å; F602-Q606 HydrophobicContact CZ-CG 4.12Å; F602-Q606 WeakPolarHBondContact O-CG 3.35Å; F602-Q606 PolarHBondContact O-N 3.19Å; F602-W643 HydrophobicContact CE1-CH2 4.3Å |
| 603 | I | 85.1 | Confident | 80.2 | Confident | 1.66667 Ų | 1.66667 | 48.6 Ų | 48.6 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 178.6 | -72.2 | 164 | 0 | 0 | 0 | 111.8 | M446 L599 W600 Q606 F607 W643 I647 L650 L670 | M446-I603 HydrophobicContact CE-CD1 3.94Å; M446-I603 HydrophobicContact CE-CG1 3.84Å; L599-I603 HydrophobicContact CD1-CD1 4.2Å; L599-I603 HydrophobicContact CG-CD1 4.16Å; L599-I603 VanDerWaalsContact O-CG1 3.31Å; L599-I603 WeakPolarHBondContact O-CG1 3.3Å; L599-I603 PolarHBondContact O-N 3.37Å; W600-I603 HydrophobicContact CD2-CD1 4.32Å; W600-I603 HydrophobicContact CE3-CD1 3.78Å; W600-I603 HydrophobicContact CH2-CD1 4.29Å; W600-I603 HydrophobicContact CZ3-CD1 3.78Å; W600-I603 WeakPolarHBondContact O-CB 3.44Å; W600-I603 PolarHBondContact O-N 3.05Å; W600-I603 VanDerWaalsContact O-N 3.12Å; I603-Q606 PolarHBondContact O-N 2.8Å; I603-F607 HydrophobicContact CG2-CD2 3.86Å; I603-F607 HydrophobicContact CG2-CE2 3.71Å; I603-F607 VanDerWaalsContact O-CD2 3.29Å; I603-F607 WeakPolarHBondContact O-CD2 3.33Å; I603-F607 PolarHBondContact O-N 3.09Å; I603-W643 HydrophobicContact CB-CZ2 4.43Å; I603-W643 HydrophobicContact CG1-CH2 4.47Å; I603-W643 HydrophobicContact CG1-CZ2 4.13Å; I603-W643 HydrophobicContact CG2-CZ2 4.44Å; I603-I647 HydrophobicContact CB-CD1 4.43Å; I603-I647 HydrophobicContact CD1-CD1 3.91Å; I603-I647 HydrophobicContact CG1-CD1 3.9Å; I603-I647 HydrophobicContact CG2-CD1 3.65Å; I603-I647 HydrophobicContact CG2-CG1 4.29Å; I603-L650 HydrophobicContact CD1-CD1 4.22Å; I603-L670 HydrophobicContact CG2-CD1 4.38Å; I603-L670 HydrophobicContact CG2-CD2 4.37Å |
| 604 | E | 84.8 | Confident | 78 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55 | -51 | 174 | -174.6 | -158.2 | 134.9 | 0 | 0 | 111.5 | W600 F602 Q606 F607 T608 H669 L670 H673 | W600-E604 WeakPolarHBondContact O-CB 3.25Å; W600-E604 PolarHBondContact O-N 3.37Å; F602-E604 PolarHBondContact O-N 3.09Å; E604-Q606 VanDerWaalsContact C-N 3.32Å; E604-Q606 PolarHBondContact O-N 2.86Å; E604-F607 WeakPolarHBondContact O-CB 3.39Å; E604-F607 PolarHBondContact O-N 3.17Å; E604-F607 VanDerWaalsContact O-N 3.12Å; E604-T608 PolarHBondContact O-N 3.02Å; E604-T608 PolarHBondContact O-OG1 3.17Å; E604-T608 VanDerWaalsContact O-OG1 3.08Å; E604-H669 IonicContact OE2-CD2 3.13Å; E604-H669 IonicContact OE2-NE2 2.59Å; E604-L670 HydrophobicContact CB-CD1 4.39Å; E604-H673 HydrophobicContact CG-CB 4.23Å; E604-H673 WeakPolarHBondContact CG-CD2 3.29Å; E604-H673 PolarHBondContact O-NE2 3.44Å; E604-H673 IonicContact OE1-CD2 2.68Å; E604-H673 IonicContact OE1-CE1 2.71Å; E604-H673 IonicContact OE1-CG 3.22Å; E604-H673 IonicContact OE1-ND1 3.95Å; E604-H673 IonicContact OE1-NE2 2.65Å |
| 605 | N | 84.7 | Confident | 75.7 | Confident | 74.3333 Ų | 74.3333 | 53.2 Ų | 53.2 | 40% | 0.398 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 177.4 | -86.3 | -74 | 0 | 0 | 0 | 113.3 | K601 F602 T608 K609 | K601-N605 VanDerWaalsContact O-CB 3.3Å; K601-N605 WeakPolarHBondContact O-CB 3.32Å; K601-N605 PolarHBondContact O-N 3.07Å; K601-N605 PolarHBondContact O-ND2 2.95Å; F602-N605 PolarHBondContact O-N 3.16Å; N605-T608 PolarHBondContact O-N 3.36Å; N605-K609 WeakPolarHBondContact O-CB 3.39Å; N605-K609 WeakPolarHBondContact O-CD 3.32Å; N605-K609 VanDerWaalsContact O-CG 3.24Å; N605-K609 WeakPolarHBondContact O-CG 3.35Å; N605-K609 PolarHBondContact O-N 3.16Å; N605-K609 VanDerWaalsContact O-N 3.12Å |
| 606 | Q | 81.8 | Confident | 73.3 | Confident | 26.6667 Ų | 26.6667 | 54.6 Ų | 54.6 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 174.2 | -64.8 | -59.9 | -7.4 | 0 | 0 | 111.7 | L443 F602 I603 E604 T608 K609 L610 W643 | L443-Q606 HydrophobicContact CD1-CG 4.04Å; F602-Q606 HydrophobicContact CD1-CG 4Å; F602-Q606 HydrophobicContact CE1-CG 3.73Å; F602-Q606 HydrophobicContact CZ-CG 4.12Å; F602-Q606 WeakPolarHBondContact O-CG 3.35Å; F602-Q606 PolarHBondContact O-N 3.19Å; I603-Q606 PolarHBondContact O-N 2.8Å; E604-Q606 VanDerWaalsContact C-N 3.32Å; E604-Q606 PolarHBondContact O-N 2.86Å; Q606-T608 VanDerWaalsContact C-N 3.34Å; Q606-T608 PolarHBondContact O-N 3.36Å; Q606-K609 PolarHBondContact O-N 3.02Å; Q606-L610 WeakPolarHBondContact O-CB 3.24Å; Q606-L610 VanDerWaalsContact O-CG 3.27Å; Q606-L610 WeakPolarHBondContact O-CG 3.33Å; Q606-L610 PolarHBondContact O-N 3.24Å; Q606-W643 HydrophobicContact CB-CH2 4.43Å; Q606-W643 HydrophobicContact CB-CZ2 3.64Å; Q606-W643 HydrophobicContact CG-CH2 4.29Å; Q606-W643 HydrophobicContact CG-CZ2 3.87Å |
| 607 | F | 83.1 | Confident | 70.9 | Confident | 1.66667 Ų | 1.66667 | 59.5 Ų | 59.5 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 171.1 | -81.7 | -67.4 | 0 | 0 | 0 | 111.8 | I603 E604 K609 L610 L611 F640 W643 I647 L670 L674 | I603-F607 HydrophobicContact CG2-CD2 3.86Å; I603-F607 HydrophobicContact CG2-CE2 3.71Å; I603-F607 VanDerWaalsContact O-CD2 3.29Å; I603-F607 WeakPolarHBondContact O-CD2 3.33Å; I603-F607 PolarHBondContact O-N 3.09Å; E604-F607 WeakPolarHBondContact O-CB 3.39Å; E604-F607 PolarHBondContact O-N 3.17Å; E604-F607 VanDerWaalsContact O-N 3.12Å; F607-K609 VanDerWaalsContact C-N 3.33Å; F607-K609 PolarHBondContact O-N 3.07Å; F607-L610 PolarHBondContact O-N 3.25Å; F607-L611 VanDerWaalsContact O-CB 3.28Å; F607-L611 WeakPolarHBondContact O-CB 3.41Å; F607-L611 VanDerWaalsContact O-CG 3.26Å; F607-L611 WeakPolarHBondContact O-CG 3.37Å; F607-L611 PolarHBondContact O-N 3.08Å; F607-F640 AromaticContact CD1-CE2 4Å; F607-F640 HydrophobicContact CD1-CE2 4.05Å; F607-F640 HydrophobicContact CE1-CE2 4.32Å; F607-W643 AromaticContact CD1-CD1 3.73Å; F607-W643 AromaticContact CD2-CD1 3.94Å; F607-W643 AromaticContact CD2-NE1 3.71Å; F607-W643 AromaticContact CE1-CD1 3.55Å; F607-W643 AromaticContact CE2-CD1 3.89Å; F607-W643 AromaticContact CE2-NE1 3.69Å; F607-W643 AromaticContact CG-CD1 3.91Å; F607-W643 AromaticContact CG-NE1 3.9Å; F607-W643 AromaticContact CZ-CD1 3.67Å; F607-W643 AromaticContact CZ-NE1 3.83Å; F607-I647 HydrophobicContact CE2-CG1 3.9Å; F607-I647 HydrophobicContact CZ-CB 4.42Å; F607-I647 HydrophobicContact CZ-CG1 3.89Å; F607-L670 HydrophobicContact CD2-CD1 4.12Å; F607-L670 HydrophobicContact CE2-CD1 4.4Å; F607-L674 HydrophobicContact CB-CD2 3.81Å; F607-L674 HydrophobicContact CD1-CD2 3.61Å; F607-L674 HydrophobicContact CD2-CD2 3.94Å; F607-L674 HydrophobicContact CE1-CD2 4.07Å; F607-L674 HydrophobicContact CE2-CD2 4.37Å; F607-L674 HydrophobicContact CG-CD2 3.54Å; F607-L674 HydrophobicContact CZ-CD2 4.37Å |
| 608 | T | 81.9 | Confident | 68.4 | Low | 35.3333 Ų | 35.3333 | 60.9 Ų | 60.9 | 22% | 0.217 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 174.9 | -45.7 | 0 | 0 | 0 | 0 | 111.6 | E604 N605 Q606 L610 L611 N612 H673 | E604-T608 PolarHBondContact O-N 3.02Å; E604-T608 PolarHBondContact O-OG1 3.17Å; E604-T608 VanDerWaalsContact O-OG1 3.08Å; N605-T608 PolarHBondContact O-N 3.36Å; Q606-T608 VanDerWaalsContact C-N 3.34Å; Q606-T608 PolarHBondContact O-N 3.36Å; T608-L610 VanDerWaalsContact C-N 3.32Å; T608-L610 PolarHBondContact O-N 2.88Å; T608-L611 PolarHBondContact O-N 3.38Å; T608-N612 VanDerWaalsContact O-CB 3.27Å; T608-N612 WeakPolarHBondContact O-CB 3.35Å; T608-N612 PolarHBondContact O-N 3.21Å; T608-H673 PolarHBondContact OG1-CE1 3.17Å; T608-H673 VanDerWaalsContact OG1-CE1 3.29Å; T608-H673 PolarHBondContact OG1-NE2 3.25Å |
| 609 | K | 79.9 | Confident | 65.9 | Low | 118.667 Ų | 118.667 | 63.6 Ų | 63.6 | 52% | 0.516 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 178.5 | -71.7 | 165.3 | -173.1 | 173.6 | 0 | 112.8 | N605 Q606 F607 L611 N612 V613 | N605-K609 WeakPolarHBondContact O-CB 3.39Å; N605-K609 WeakPolarHBondContact O-CD 3.32Å; N605-K609 VanDerWaalsContact O-CG 3.24Å; N605-K609 WeakPolarHBondContact O-CG 3.35Å; N605-K609 PolarHBondContact O-N 3.16Å; N605-K609 VanDerWaalsContact O-N 3.12Å; Q606-K609 PolarHBondContact O-N 3.02Å; F607-K609 VanDerWaalsContact C-N 3.33Å; F607-K609 PolarHBondContact O-N 3.07Å; K609-L611 VanDerWaalsContact C-N 3.28Å; K609-L611 PolarHBondContact O-N 3.15Å; K609-N612 PolarHBondContact O-N 2.74Å; K609-N612 PolarHBondContact O-ND2 3.34Å; K609-N612 PolarHBondContact O-OD1 2.74Å; K609-V613 VanDerWaalsContact O-CG2 3.3Å; K609-V613 WeakPolarHBondContact O-CG2 3.1Å; K609-V613 PolarHBondContact O-N 3.28Å |
| 610 | L | 76.6 | Confident | 63.2 | Low | 52.6667 Ų | 52.6667 | 70.1 Ų | 70.1 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75.1 | -27.7 | 179.6 | -68.4 | 168.5 | 0 | 0 | 0 | 112.5 | Q606 F607 T608 L638 F640 W643 | Q606-L610 WeakPolarHBondContact O-CB 3.24Å; Q606-L610 VanDerWaalsContact O-CG 3.27Å; Q606-L610 WeakPolarHBondContact O-CG 3.33Å; Q606-L610 PolarHBondContact O-N 3.24Å; F607-L610 PolarHBondContact O-N 3.25Å; T608-L610 VanDerWaalsContact C-N 3.32Å; T608-L610 PolarHBondContact O-N 2.88Å; L610-L638 WeakPolarHBondContact CD2-O 3.35Å; L610-F640 HydrophobicContact CB-CD2 3.89Å; L610-F640 HydrophobicContact CB-CE2 4.49Å; L610-F640 HydrophobicContact CD1-CD2 4.4Å; L610-W643 HydrophobicContact CD1-CB 3.66Å; L610-W643 HydrophobicContact CD1-CD2 4.48Å; L610-W643 HydrophobicContact CD1-CG 3.68Å |
| 611 | L | 72.5 | Confident | 60.7 | Low | 3.33333 Ų | 3.33333 | 74.7 Ų | 74.7 | 2% | 0.017 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -79.2 | -48.2 | 173.2 | -69.9 | 172.2 | 0 | 0 | 0 | 111.3 | F607 T608 K609 V613 F640 L674 C677 L678 K681 | F607-L611 VanDerWaalsContact O-CB 3.28Å; F607-L611 WeakPolarHBondContact O-CB 3.41Å; F607-L611 VanDerWaalsContact O-CG 3.26Å; F607-L611 WeakPolarHBondContact O-CG 3.37Å; F607-L611 PolarHBondContact O-N 3.08Å; T608-L611 PolarHBondContact O-N 3.38Å; K609-L611 VanDerWaalsContact C-N 3.28Å; K609-L611 PolarHBondContact O-N 3.15Å; L611-V613 VanDerWaalsContact C-N 3.28Å; L611-V613 PolarHBondContact O-N 3.38Å; L611-V613 VanDerWaalsContact O-N 3.1Å; L611-F640 HydrophobicContact CD1-CE2 4.46Å; L611-F640 HydrophobicContact CD2-CD2 4.34Å; L611-F640 HydrophobicContact CD2-CE2 3.57Å; L611-F640 VanDerWaalsContact CD2-CE2 3.45Å; L611-F640 HydrophobicContact CD2-CZ 3.68Å; L611-F640 HydrophobicContact CG-CE2 3.9Å; L611-F640 HydrophobicContact CG-CZ 4.38Å; L611-L674 HydrophobicContact CD1-CD2 4.3Å; L611-C677 HydrophobicContact CB-CB 4.47Å; L611-C677 HydrophobicContact CD1-CB 3.5Å; L611-L678 HydrophobicContact CD2-CD2 4.38Å; L611-K681 HydrophobicContact CB-CD 4.32Å; L611-K681 HydrophobicContact CD2-CD 4.1Å; L611-K681 WeakPolarHBondContact O-CD 3.38Å; L611-K681 WeakPolarHBondContact O-CE 3.35Å; L611-K681 PolarHBondContact O-NZ 3.06Å |
| 612 | N | 65.2 | Low | 58 | Low | 104 Ų | 104 | 78.5 Ų | 78.5 | 56% | 0.556 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -50.4 | 26.3 | -171 | -69.8 | -14.7 | 0 | 0 | 0 | 115.6 | T608 K609 S614 | T608-N612 VanDerWaalsContact O-CB 3.27Å; T608-N612 WeakPolarHBondContact O-CB 3.35Å; T608-N612 PolarHBondContact O-N 3.21Å; K609-N612 PolarHBondContact O-N 2.74Å; K609-N612 PolarHBondContact O-ND2 3.34Å; K609-N612 PolarHBondContact O-OD1 2.74Å; N612-S614 PolarHBondContact O-N 2.85Å |
| 613 | V | 53.9 | Low | 55.4 | Low | 91.6667 Ų | 91.6667 | 85.1 Ų | 85.1 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | trans | -74.2 | 116.8 | 165.1 | 173.1 | 0 | 0 | 0 | 0 | 109.3 | K609 L611 P615 E680 | K609-V613 VanDerWaalsContact O-CG2 3.3Å; K609-V613 WeakPolarHBondContact O-CG2 3.1Å; K609-V613 PolarHBondContact O-N 3.28Å; L611-V613 VanDerWaalsContact C-N 3.28Å; L611-V613 PolarHBondContact O-N 3.38Å; L611-V613 VanDerWaalsContact O-N 3.1Å; V613-P615 WeakPolarHBondContact O-CD 3.4Å; V613-E680 HydrophobicContact CG1-CB 4.35Å; V613-E680 HydrophobicContact CG2-CB 3.84Å | ||
| 614 | S | 38.1 | Very low | 52.8 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | trans | -76.4 | 136.3 | 174.3 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | N612 T616 | N612-S614 PolarHBondContact O-N 2.85Å; S614-T616 WeakPolarHBondContact CB-OG1 3.44Å; S614-T616 PolarHBondContact O-N 2.96Å; S614-T616 PolarHBondContact OG-OG1 3.32Å | ||
| 615 | P | 34.4 | Very low | 50 | Low | 84.6667 Ų | 84.6667 | 92.1 Ų | 92.1 | 55% | 0.55 | 54% | 0.542 | S | S | . | . | trans | -85.8 | 105.8 | 161.7 | 33.6 | -31.9 | 0 | 0 | 0 | 110.2 | V613 Y706 | V613-P615 WeakPolarHBondContact O-CD 3.4Å; P615-Y706 HydrophobicContact CG-CD1 4.38Å; P615-Y706 HydrophobicContact CG-CE1 3.83Å | ||
| 616 | T | 30.4 | Very low | 47.5 | Very low | 98 Ų | 98 | 95.3 Ų | 95.3 | 60% | 0.601 | 56% | 0.558 | S | S | * | * | trans | -71.6 | 131.8 | 169.6 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | S614 | S614-T616 WeakPolarHBondContact CB-OG1 3.44Å; S614-T616 PolarHBondContact O-N 2.96Å; S614-T616 PolarHBondContact OG-OG1 3.32Å | ||
| 617 | V | 31.2 | Very low | 44.9 | Very low | 123.667 Ų | 123.667 | 102.7 Ų | 102.7 | 75% | 0.749 | 59% | 0.592 | S | S | * | * | trans | 96.2 | 78.9 | 158.5 | -168.4 | 0 | 0 | 0 | 0 | 113.1 | V619 | V617-V619 HydrophobicContact CG1-CB 4Å; V617-V619 HydrophobicContact CG1-CG2 3.6Å; V617-V619 VanDerWaalsContact CG1-CG2 3.44Å; V617-V619 PolarHBondContact O-N 3.23Å; V617-V619 VanDerWaalsContact O-N 3.12Å | ||
| 618 | T | 29.8 | Very low | 42.3 | Very low | 129 Ų | 129 | 107.2 Ų | 107.2 | 79% | 0.791 | 62% | 0.623 | S | S | * | * | trans | -82.7 | 92 | 146.4 | 48.6 | 0 | 0 | 0 | 0 | 109 | N620 | T618-N620 PolarHBondContact O-N 3.08Š| ||
| 619 | V | 31.9 | Very low | 39.7 | Very low | 105.667 Ų | 105.667 | 110 Ų | 110 | 64% | 0.64 | 64% | 0.644 | S | S | * | * | trans | -81.2 | 120.5 | 168.4 | 169 | 0 | 0 | 0 | 0 | 108.5 | V617 T621 | V617-V619 HydrophobicContact CG1-CB 4Å; V617-V619 HydrophobicContact CG1-CG2 3.6Å; V617-V619 VanDerWaalsContact CG1-CG2 3.44Å; V617-V619 PolarHBondContact O-N 3.23Å; V617-V619 VanDerWaalsContact O-N 3.12Å; V619-T621 WeakPolarHBondContact CG1-OG1 3.35Å; V619-T621 PolarHBondContact O-N 2.89Å | ||
| 620 | N | 28.2 | Very low | 37.4 | Very low | 151.667 Ų | 151.667 | 110.6 Ų | 110.6 | 81% | 0.811 | 65% | 0.653 | S | S | * | * | trans | -71.9 | 90.4 | 170.5 | -67.4 | -32.6 | 0 | 0 | 0 | 110 | T618 M622 | T618-N620 PolarHBondContact O-N 3.08Å; N620-M622 PolarHBondContact O-N 3.3Å | ||
| 621 | T | 31.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | trans | -97.7 | 102.3 | 162.9 | -47.7 | 0 | 0 | 0 | 0 | 108.9 | V619 I623 | V619-T621 WeakPolarHBondContact CG1-OG1 3.35Å; V619-T621 PolarHBondContact O-N 2.89Å; T621-I623 HydrophobicContact CG2-CD1 4.31Å; T621-I623 HydrophobicContact CG2-CG1 4.17Å; T621-I623 PolarHBondContact O-N 3.16Å; T621-I623 VanDerWaalsContact O-N 3.09Å | ||
| 622 | M | 28.4 | Very low | 34.2 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | trans | -67 | 125.9 | 171.5 | -65.2 | 177.9 | 176.7 | 0 | 0 | 110.3 | N620 | N620-M622 PolarHBondContact O-N 3.3Š| ||
| 623 | I | 31.2 | Very low | 33.4 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | trans | -151.4 | 121.5 | 159.3 | -61.2 | 173 | 0 | 0 | 0 | 109 | T621 | T621-I623 HydrophobicContact CG2-CD1 4.31Å; T621-I623 HydrophobicContact CG2-CG1 4.17Å; T621-I623 PolarHBondContact O-N 3.16Å; T621-I623 VanDerWaalsContact O-N 3.09Å | ||
| 624 | G | 28.5 | Very low | 33.1 | Very low | 65.6667 Ų | 65.6667 | 124.1 Ų | 124.1 | 68% | 0.677 | 71% | 0.709 | S | S | * | * | trans | 91.4 | 89.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | I626 | G624-I626 PolarHBondContact O-N 2.92Š| ||
| 625 | S | 27.1 | Very low | 34 | Very low | 120.667 Ų | 120.667 | 123.5 Ų | 123.5 | 84% | 0.844 | 71% | 0.705 | S | S | * | * | trans | -32.1 | 115.2 | 158.1 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 626 | I | 32.4 | Very low | 35.4 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 72% | 0.723 | 69% | 0.692 | S | S | * | * | -123.5 | 137.4 | 122.7 | -63.7 | 176.7 | 0 | 0 | 0 | 109 | I260 G624 C628 | I260-I626 HydrophobicContact CD1-CD1 3.98Å; I260-I626 HydrophobicContact CD1-CG1 4.16Å; G624-I626 PolarHBondContact O-N 2.92Å; I626-C628 VanDerWaalsContact C-N 3.32Å; I626-C628 HydrophobicContact CG2-CB 4.35Å; I626-C628 PolarHBondContact O-N 3.18Å | |||
| 627 | E | 26.7 | Very low | 37.2 | Very low | 183 Ų | 183 | 126.5 Ų | 126.5 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -64.6 | 107.1 | 174.7 | -60.4 | 168.4 | 135 | 0 | 0 | 110.9 | K259 | K259-E627 IonicContact NZ-OE2 3.12Å; K259-E627 PolarHBondContact NZ-OE2 3.39Å | ||
| 628 | C | 28.4 | Very low | 39.2 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | trans | -134.4 | 91.2 | 176 | -163.1 | 0 | 0 | 0 | 0 | 110.9 | I626 D630 Q632 | I626-C628 VanDerWaalsContact C-N 3.32Å; I626-C628 HydrophobicContact CG2-CB 4.35Å; I626-C628 PolarHBondContact O-N 3.18Å; C628-D630 PolarHBondContact O-N 2.96Å; C628-Q632 VanDerWaalsContact SG-CD 3.59Å | ||
| 629 | S | 27.5 | Very low | 41.3 | Very low | 94.3333 Ų | 94.3333 | 117.7 Ų | 117.7 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | trans | -83.8 | 69.2 | -172.8 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | W631 | S629-W631 PolarHBondContact O-N 2.85Š| ||
| 630 | D | 32.4 | Very low | 43.5 | Very low | 132.333 Ų | 132.333 | 113.3 Ų | 113.3 | 71% | 0.708 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -81.8 | 35.6 | 173.1 | -58.2 | -42.4 | 0 | 0 | 0 | 117.2 | C628 Q632 | C628-D630 PolarHBondContact O-N 2.96Å; D630-Q632 HydrophobicContact CB-CG 4.45Å; D630-Q632 PolarHBondContact O-N 3.42Å |
| 631 | W | 40.3 | Very low | 45.9 | Very low | 187.667 Ų | 187.667 | 107.5 Ų | 107.5 | 71% | 0.711 | 59% | 0.592 | S | S | * | * | trans | -108.5 | 12.8 | -172.4 | -66.3 | 94.2 | 0 | 0 | 0 | 115.9 | K280 R376 S629 Q633 | K280-W631 HydrophobicContact CD-CD2 4.41Å; K280-W631 HydrophobicContact CD-CE3 3.69Å; K280-W631 HydrophobicContact CD-CZ3 3.87Å; K280-W631 VanDerWaalsContact NZ-CZ3 3.27Å; R376-W631 PolarHBondContact NH2-O 3.06Å; S629-W631 PolarHBondContact O-N 2.85Å; W631-Q633 VanDerWaalsContact C-N 3.29Å; W631-Q633 PolarHBondContact O-N 3.25Å | ||
| 632 | Q | 41.2 | Very low | 48.3 | Very low | 153.667 Ų | 153.667 | 105.4 Ų | 105.4 | 72% | 0.718 | 57% | 0.574 | S | S | * | * | trans | -86.7 | 108.2 | 170.2 | -72.6 | -177.8 | -25.5 | 0 | 0 | 109.5 | C628 D630 S634 | C628-Q632 VanDerWaalsContact SG-CD 3.59Å; D630-Q632 HydrophobicContact CB-CG 4.45Å; D630-Q632 PolarHBondContact O-N 3.42Å; Q632-S634 VanDerWaalsContact C-N 3.34Å; Q632-S634 PolarHBondContact O-N 3.09Å | ||
| 633 | Q | 47.1 | Very low | 51 | Low | 88 Ų | 88 | 96.8 Ų | 96.8 | 41% | 0.411 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 117.1 | 166 | -146.2 | 167.5 | 6.1 | 0 | 0 | 108.1 | E372 R375 H379 W631 S635 | E372-Q633 PolarHBondContact OE1-N 3.45Å; E372-Q633 PolarHBondContact OE2-N 2.83Å; R375-Q633 VanDerWaalsContact CD-O 3.26Å; R375-Q633 WeakPolarHBondContact CD-O 3.37Å; R375-Q633 HydrophobicContact CG-CB 4.27Å; R375-Q633 HydrophobicContact CG-CG 4.37Å; R375-Q633 PolarHBondContact NH1-O 3.13Å; H379-Q633 PolarHBondContact CD2-NE2 3Å; H379-Q633 PolarHBondContact CD2-OE1 3.22Å; H379-Q633 VanDerWaalsContact CG-NE2 3.3Å; W631-Q633 VanDerWaalsContact C-N 3.29Å; W631-Q633 PolarHBondContact O-N 3.25Å; Q633-S635 PolarHBondContact O-N 2.99Å |
| 634 | S | 47.8 | Very low | 53.4 | Low | 105.667 Ų | 105.667 | 89.3 Ų | 89.3 | 74% | 0.739 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 134.1 | -175.7 | 16.9 | 0 | 0 | 0 | 0 | 110.8 | Q632 L636 | Q632-S634 VanDerWaalsContact C-N 3.34Å; Q632-S634 PolarHBondContact O-N 3.09Å; S634-L636 PolarHBondContact O-N 3.12Å |
| 635 | S | 57.7 | Low | 56 | Low | 78.6667 Ų | 78.6667 | 88.2 Ų | 88.2 | 55% | 0.55 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 133.3 | 175.8 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | Q633 K637 | Q633-S635 PolarHBondContact O-N 2.99Å; S635-K637 PolarHBondContact O-N 3.03Å; S635-K637 VanDerWaalsContact O-N 3.13Å |
| 636 | L | 64.9 | Low | 58.7 | Low | 54.3333 Ų | 54.3333 | 82.5 Ų | 82.5 | 28% | 0.284 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 119.8 | -174.7 | -173.5 | 68.5 | 0 | 0 | 0 | 110.8 | L443 D444 W447 S634 L638 | L443-L636 WeakPolarHBondContact CD2-O 3.43Å; D444-L636 WeakPolarHBondContact OD1-CB 3.27Å; D444-L636 PolarHBondContact OD1-N 3.38Å; W447-L636 HydrophobicContact CB-CD2 3.53Å; W447-L636 VanDerWaalsContact CB-CD2 3.42Å; W447-L636 HydrophobicContact CD2-CD2 4.36Å; W447-L636 HydrophobicContact CG-CD2 3.56Å; S634-L636 PolarHBondContact O-N 3.12Å; L636-L638 HydrophobicContact CB-CD1 4.45Å; L636-L638 HydrophobicContact CD1-CD2 4.34Å; L636-L638 HydrophobicContact CD2-CD1 3.67Å; L636-L638 HydrophobicContact CD2-CD2 3.72Å; L636-L638 HydrophobicContact CD2-CG 4.23Å; L636-L638 HydrophobicContact CG-CD1 3.88Å; L636-L638 HydrophobicContact CG-CD2 3.88Å; L636-L638 HydrophobicContact CG-CG 4.26Å; L636-L638 PolarHBondContact O-N 3.12Å |
| 637 | K | 67.9 | Low | 61.2 | Low | 191.333 Ų | 191.333 | 75.8 Ų | 75.8 | 83% | 0.832 | 40% | 0.401 | S | S | * | . | trans | -96.9 | 96 | 171.5 | -67.2 | -172.2 | 179.2 | -175.4 | 0 | 108.8 | S635 | S635-K637 PolarHBondContact O-N 3.03Å; S635-K637 VanDerWaalsContact O-N 3.13Å | ||
| 638 | L | 71.6 | Confident | 63.9 | Low | 14.3333 Ų | 14.3333 | 70.4 Ų | 70.4 | 8% | 0.075 | 38% | 0.376 | C | S | . | . | trans | -69.7 | 144.5 | 171.9 | -68.8 | 112.5 | 0 | 0 | 0 | 110.2 | L443 W447 L610 L636 Q642 W643 V646 | L443-L638 HydrophobicContact CD1-CD1 3.88Å; L443-L638 HydrophobicContact CD1-CG 4.36Å; L443-L638 HydrophobicContact CD2-CD1 3.52Å; L443-L638 HydrophobicContact CG-CD1 3.91Å; L443-L638 VanDerWaalsContact CG-CD1 3.49Å; W447-L638 HydrophobicContact CB-CD1 4.4Å; W447-L638 HydrophobicContact CB-CD2 4.36Å; W447-L638 HydrophobicContact CD2-CD2 3.96Å; W447-L638 HydrophobicContact CE3-CD1 4.22Å; W447-L638 HydrophobicContact CE3-CD2 3.44Å; W447-L638 VanDerWaalsContact CE3-CD2 3.44Å; W447-L638 HydrophobicContact CE3-CG 4.42Å; W447-L638 HydrophobicContact CG-CD2 4.16Å; W447-L638 HydrophobicContact CZ3-CD2 4.1Å; L610-L638 WeakPolarHBondContact CD2-O 3.35Å; L636-L638 HydrophobicContact CB-CD1 4.45Å; L636-L638 HydrophobicContact CD1-CD2 4.34Å; L636-L638 HydrophobicContact CD2-CD1 3.67Å; L636-L638 HydrophobicContact CD2-CD2 3.72Å; L636-L638 HydrophobicContact CD2-CG 4.23Å; L636-L638 HydrophobicContact CG-CD1 3.88Å; L636-L638 HydrophobicContact CG-CD2 3.88Å; L636-L638 HydrophobicContact CG-CG 4.26Å; L636-L638 PolarHBondContact O-N 3.12Å; L638-Q642 HydrophobicContact CB-CB 4.33Å; L638-Q642 HydrophobicContact CD2-CB 4.23Å; L638-W643 HydrophobicContact CD1-CE3 3.69Å; L638-W643 HydrophobicContact CD1-CZ3 4.12Å; L638-W643 HydrophobicContact CD2-CE3 4.02Å; L638-W643 HydrophobicContact CD2-CZ3 4.31Å; L638-V646 HydrophobicContact CD2-CG2 4.33Å | ||
| 639 | S | 74.6 | Confident | 66.6 | Low | 52.3333 Ų | 52.3333 | 66.3 Ų | 66.3 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | trans | -71.4 | 156.1 | 163.9 | 65 | 0 | 0 | 0 | 0 | 110.9 | N641 Q642 W643 | S639-N641 VanDerWaalsContact C-N 3.28Å; S639-N641 PolarHBondContact O-N 3.06Å; S639-Q642 WeakPolarHBondContact O-CB 3.37Å; S639-Q642 PolarHBondContact O-N 3.06Å; S639-Q642 VanDerWaalsContact O-N 3.08Å; S639-Q642 VanDerWaalsContact OG-CD 3.3Å; S639-Q642 VanDerWaalsContact OG-CG 3.27Å; S639-Q642 WeakPolarHBondContact OG-CG 3.38Å; S639-Q642 PolarHBondContact OG-N 3.37Å; S639-Q642 PolarHBondContact OG-OE1 2.94Å; S639-W643 PolarHBondContact O-N 3.3Å; S639-W643 VanDerWaalsContact O-N 3.12Å | ||
| 640 | F | 78.9 | Confident | 69.3 | Low | 12.6667 Ų | 12.6667 | 62.2 Ų | 62.2 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.4 | -39.3 | -179.9 | -177.1 | -107.4 | 0 | 0 | 0 | 113.2 | F607 L610 L611 Q642 W643 C644 L708 E712 I716 | F607-F640 AromaticContact CD1-CE2 4Å; F607-F640 HydrophobicContact CD1-CE2 4.05Å; F607-F640 HydrophobicContact CE1-CE2 4.32Å; L610-F640 HydrophobicContact CB-CD2 3.89Å; L610-F640 HydrophobicContact CB-CE2 4.49Å; L610-F640 HydrophobicContact CD1-CD2 4.4Å; L611-F640 HydrophobicContact CD1-CE2 4.46Å; L611-F640 HydrophobicContact CD2-CD2 4.34Å; L611-F640 HydrophobicContact CD2-CE2 3.57Å; L611-F640 VanDerWaalsContact CD2-CE2 3.45Å; L611-F640 HydrophobicContact CD2-CZ 3.68Å; L611-F640 HydrophobicContact CG-CE2 3.9Å; L611-F640 HydrophobicContact CG-CZ 4.38Å; F640-Q642 VanDerWaalsContact C-N 3.32Å; F640-Q642 PolarHBondContact O-N 2.84Å; F640-W643 PolarHBondContact O-N 2.96Å; F640-W643 VanDerWaalsContact O-N 3.09Å; F640-C644 PolarHBondContact O-N 3.26Å; F640-C644 PolarHBondContact O-SG 3.34Å; F640-L708 HydrophobicContact CE1-CD2 4.47Å; F640-E712 HydrophobicContact CD1-CB 3.8Å; F640-E712 HydrophobicContact CD1-CG 3.89Å; F640-E712 HydrophobicContact CE1-CB 4.09Å; F640-I716 HydrophobicContact CE1-CB 3.96Å; F640-I716 HydrophobicContact CE1-CD1 3.46Å; F640-I716 VanDerWaalsContact CE1-CD1 3.46Å; F640-I716 HydrophobicContact CE1-CG1 3.36Å; F640-I716 HydrophobicContact CE1-CG2 4.4Å; F640-I716 HydrophobicContact CZ-CB 3.83Å; F640-I716 HydrophobicContact CZ-CD1 3.65Å; F640-I716 HydrophobicContact CZ-CG1 3.67Å; F640-I716 HydrophobicContact CZ-CG2 4.43Å |
| 641 | N | 78.8 | Confident | 71.7 | Confident | 31.6667 Ų | 31.6667 | 56.1 Ų | 56.1 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 174.6 | -64.7 | -40.1 | 0 | 0 | 0 | 112.8 | S639 W643 S645 L711 E712 S715 | S639-N641 VanDerWaalsContact C-N 3.28Å; S639-N641 PolarHBondContact O-N 3.06Å; N641-W643 VanDerWaalsContact C-N 3.34Å; N641-S645 WeakPolarHBondContact O-CB 3.32Å; N641-S645 PolarHBondContact O-N 3.18Å; N641-S645 PolarHBondContact O-OG 3.08Å; N641-L711 PolarHBondContact OD1-O 3.35Å; N641-E712 WeakPolarHBondContact OD1-CA 3.2Å; N641-E712 VanDerWaalsContact OD1-CG 3.24Å; N641-E712 WeakPolarHBondContact OD1-CG 3.3Å; N641-E712 PolarHBondContact OD1-N 3.21Å; N641-S715 PolarHBondContact OD1-OG 3.34Å; N641-S715 VanDerWaalsContact OD1-OG 3.09Å |
| 642 | Q | 81.6 | Confident | 73.7 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 174.7 | -74.6 | 164.1 | -47.5 | 0 | 0 | 111 | W447 L638 S639 F640 S645 V646 | W447-Q642 HydrophobicContact CH2-CG 4.1Å; W447-Q642 HydrophobicContact CZ3-CB 3.84Å; W447-Q642 HydrophobicContact CZ3-CG 3.88Å; L638-Q642 HydrophobicContact CB-CB 4.33Å; L638-Q642 HydrophobicContact CD2-CB 4.23Å; S639-Q642 WeakPolarHBondContact O-CB 3.37Å; S639-Q642 PolarHBondContact O-N 3.06Å; S639-Q642 VanDerWaalsContact O-N 3.08Å; S639-Q642 VanDerWaalsContact OG-CD 3.3Å; S639-Q642 VanDerWaalsContact OG-CG 3.27Å; S639-Q642 WeakPolarHBondContact OG-CG 3.38Å; S639-Q642 PolarHBondContact OG-N 3.37Å; S639-Q642 PolarHBondContact OG-OE1 2.94Å; F640-Q642 VanDerWaalsContact C-N 3.32Å; F640-Q642 PolarHBondContact O-N 2.84Å; Q642-S645 WeakPolarHBondContact O-CB 3.43Å; Q642-S645 PolarHBondContact O-N 3.05Å; Q642-V646 WeakPolarHBondContact O-CG2 3.28Å; Q642-V646 PolarHBondContact O-N 3.2Å |
| 643 | W | 85.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -47.3 | 177.2 | -166.4 | -121.9 | 0 | 0 | 0 | 112.5 | L443 M446 F602 I603 Q606 F607 L610 L638 S639 F640 N641 S645 V646 I647 | L443-W643 HydrophobicContact CD1-CE3 4.01Å; L443-W643 HydrophobicContact CD1-CH2 3.85Å; L443-W643 HydrophobicContact CD1-CZ3 3.46Å; L443-W643 VanDerWaalsContact CD1-CZ3 3.46Å; L443-W643 HydrophobicContact CG-CZ3 4.45Å; M446-W643 HydrophobicContact CB-CZ3 4.49Å; M446-W643 HydrophobicContact CE-CH2 3.4Å; M446-W643 VanDerWaalsContact CE-CH2 3.44Å; M446-W643 HydrophobicContact CE-CZ2 4.15Å; M446-W643 HydrophobicContact CE-CZ3 3.96Å; M446-W643 HydrophobicContact SD-CH2 3.75Å; M446-W643 HydrophobicContact SD-CZ3 4.29Å; F602-W643 HydrophobicContact CE1-CH2 4.3Å; I603-W643 HydrophobicContact CB-CZ2 4.43Å; I603-W643 HydrophobicContact CG1-CH2 4.47Å; I603-W643 HydrophobicContact CG1-CZ2 4.13Å; I603-W643 HydrophobicContact CG2-CZ2 4.44Å; Q606-W643 HydrophobicContact CB-CH2 4.43Å; Q606-W643 HydrophobicContact CB-CZ2 3.64Å; Q606-W643 HydrophobicContact CG-CH2 4.29Å; Q606-W643 HydrophobicContact CG-CZ2 3.87Å; F607-W643 AromaticContact CD1-CD1 3.73Å; F607-W643 AromaticContact CD2-CD1 3.94Å; F607-W643 AromaticContact CD2-NE1 3.71Å; F607-W643 AromaticContact CE1-CD1 3.55Å; F607-W643 AromaticContact CE2-CD1 3.89Å; F607-W643 AromaticContact CE2-NE1 3.69Å; F607-W643 AromaticContact CG-CD1 3.91Å; F607-W643 AromaticContact CG-NE1 3.9Å; F607-W643 AromaticContact CZ-CD1 3.67Å; F607-W643 AromaticContact CZ-NE1 3.83Å; L610-W643 HydrophobicContact CD1-CB 3.66Å; L610-W643 HydrophobicContact CD1-CD2 4.48Å; L610-W643 HydrophobicContact CD1-CG 3.68Å; L638-W643 HydrophobicContact CD1-CE3 3.69Å; L638-W643 HydrophobicContact CD1-CZ3 4.12Å; L638-W643 HydrophobicContact CD2-CE3 4.02Å; L638-W643 HydrophobicContact CD2-CZ3 4.31Å; S639-W643 PolarHBondContact O-N 3.3Å; S639-W643 VanDerWaalsContact O-N 3.12Å; F640-W643 PolarHBondContact O-N 2.96Å; F640-W643 VanDerWaalsContact O-N 3.09Å; N641-W643 VanDerWaalsContact C-N 3.34Å; W643-S645 VanDerWaalsContact C-N 3.26Å; W643-S645 PolarHBondContact O-N 3.21Å; W643-V646 HydrophobicContact CE3-CB 4.26Å; W643-V646 HydrophobicContact CE3-CG1 4.26Å; W643-V646 HydrophobicContact CZ3-CG1 4.21Å; W643-V646 PolarHBondContact O-N 3.33Å; W643-V646 VanDerWaalsContact O-N 3.1Å; W643-I647 HydrophobicContact CD2-CG1 4.41Å; W643-I647 HydrophobicContact CH2-CD1 4.37Å; W643-I647 HydrophobicContact CZ2-CD1 3.94Å; W643-I647 WeakPolarHBondContact O-CG1 3.33Å; W643-I647 PolarHBondContact O-N 3.01Å |
| 644 | C | 81.8 | Confident | 76.8 | Confident | 3.33333 Ų | 3.33333 | 41.6 Ų | 41.6 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.9 | -39.4 | 172.7 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | F640 I647 H648 S715 C719 | F640-C644 PolarHBondContact O-N 3.26Å; F640-C644 PolarHBondContact O-SG 3.34Å; C644-I647 PolarHBondContact O-N 3.37Å; C644-H648 VanDerWaalsContact O-CB 3.25Å; C644-H648 WeakPolarHBondContact O-CB 3.31Å; C644-H648 PolarHBondContact O-N 3Å; C644-S715 WeakPolarHBondContact CB-O 3.37Å; C644-C719 HydrophobicContact CB-CB 4.38Å |
| 645 | S | 81.1 | Confident | 78 | Confident | 43 Ų | 43 | 39.3 Ų | 39.3 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 176.3 | -56.4 | 0 | 0 | 0 | 0 | 112.7 | N641 Q642 W643 F649 | N641-S645 WeakPolarHBondContact O-CB 3.32Å; N641-S645 PolarHBondContact O-N 3.18Å; N641-S645 PolarHBondContact O-OG 3.08Å; Q642-S645 WeakPolarHBondContact O-CB 3.43Å; Q642-S645 PolarHBondContact O-N 3.05Å; W643-S645 VanDerWaalsContact C-N 3.26Å; W643-S645 PolarHBondContact O-N 3.21Å; S645-F649 VanDerWaalsContact O-CB 3.31Å; S645-F649 WeakPolarHBondContact O-CB 3.4Å; S645-F649 PolarHBondContact O-N 3.17Å |
| 646 | V | 83.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | M446 W447 Y450 L638 Q642 W643 F649 L650 | M446-V646 HydrophobicContact CB-CG1 4.07Å; M446-V646 HydrophobicContact CE-CG1 4.41Å; W447-V646 HydrophobicContact CE3-CG2 3.91Å; W447-V646 HydrophobicContact CZ3-CG2 4.35Å; Y450-V646 HydrophobicContact CD1-CG2 4.09Å; Y450-V646 HydrophobicContact CG-CG2 3.99Å; L638-V646 HydrophobicContact CD2-CG2 4.33Å; Q642-V646 WeakPolarHBondContact O-CG2 3.28Å; Q642-V646 PolarHBondContact O-N 3.2Å; W643-V646 HydrophobicContact CE3-CB 4.26Å; W643-V646 HydrophobicContact CE3-CG1 4.26Å; W643-V646 HydrophobicContact CZ3-CG1 4.21Å; W643-V646 PolarHBondContact O-N 3.33Å; W643-V646 VanDerWaalsContact O-N 3.1Å; V646-F649 WeakPolarHBondContact O-CB 3.32Å; V646-F649 PolarHBondContact O-N 3.47Å; V646-L650 HydrophobicContact CG1-CD1 3.81Å; V646-L650 HydrophobicContact CG1-CG 4.39Å; V646-L650 VanDerWaalsContact O-CG 3.26Å; V646-L650 WeakPolarHBondContact O-CG 3.35Å; V646-L650 PolarHBondContact O-N 2.87Å |
| 647 | I | 85.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -44.7 | 177.9 | -59.4 | -53.8 | 0 | 0 | 0 | 111.4 | M446 I603 F607 W643 C644 F649 L650 L651 | M446-I647 HydrophobicContact CE-CD1 3.94Å; I603-I647 HydrophobicContact CB-CD1 4.43Å; I603-I647 HydrophobicContact CD1-CD1 3.91Å; I603-I647 HydrophobicContact CG1-CD1 3.9Å; I603-I647 HydrophobicContact CG2-CD1 3.65Å; I603-I647 HydrophobicContact CG2-CG1 4.29Å; F607-I647 HydrophobicContact CE2-CG1 3.9Å; F607-I647 HydrophobicContact CZ-CB 4.42Å; F607-I647 HydrophobicContact CZ-CG1 3.89Å; W643-I647 HydrophobicContact CD2-CG1 4.41Å; W643-I647 HydrophobicContact CH2-CD1 4.37Å; W643-I647 HydrophobicContact CZ2-CD1 3.94Å; W643-I647 WeakPolarHBondContact O-CG1 3.33Å; W643-I647 PolarHBondContact O-N 3.01Å; C644-I647 PolarHBondContact O-N 3.37Å; I647-F649 VanDerWaalsContact C-N 3.29Å; I647-F649 PolarHBondContact O-N 3.12Å; I647-L650 HydrophobicContact CD1-CD1 4.38Å; I647-L650 PolarHBondContact O-N 3.18Å; I647-L651 HydrophobicContact CG2-CD1 4Å; I647-L651 HydrophobicContact CG2-CG 4.36Å; I647-L651 WeakPolarHBondContact O-CG 3.41Å; I647-L651 PolarHBondContact O-N 3.19Å |
| 648 | H | 83.9 | Confident | 78.4 | Confident | 69 Ų | 69 | 34.4 Ų | 34.4 | 32% | 0.319 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.9 | -38.9 | 173.1 | 179.9 | -69.2 | 0 | 0 | 0 | 111.9 | C644 N652 N718 T722 | C644-H648 VanDerWaalsContact O-CB 3.25Å; C644-H648 WeakPolarHBondContact O-CB 3.31Å; C644-H648 PolarHBondContact O-N 3Å; H648-N652 PolarHBondContact CE1-ND2 3.5Å; H648-N652 VanDerWaalsContact CE1-ND2 3.32Å; H648-N652 PolarHBondContact ND1-ND2 3.2Å; H648-N652 WeakPolarHBondContact O-CB 3.39Å; H648-N652 PolarHBondContact O-N 2.99Å; H648-N652 VanDerWaalsContact O-N 3.17Å; H648-N652 PolarHBondContact O-ND2 3.04Å; H648-N718 PolarHBondContact CD2-ND2 2.94Å; H648-N718 PolarHBondContact NE2-ND2 2.69Å; H648-N718 VanDerWaalsContact NE2-ND2 3.14Å; H648-T722 WeakPolarHBondContact CD2-CG2 3.48Å; H648-T722 PolarHBondContact CD2-OG1 3.4Å; H648-T722 WeakPolarHBondContact NE2-CG2 3.48Å |
| 649 | F | 85.1 | Confident | 78.4 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -48.4 | 173 | 160.6 | -105.3 | 0 | 0 | 0 | 112.4 | Y450 Y453 L584 S645 V646 I647 L651 N652 C653 L654 | Y450-F649 HydrophobicContact CD2-CB 3.64Å; Y450-F649 AromaticContact CD2-CD1 3.97Å; Y450-F649 HydrophobicContact CD2-CD1 3.99Å; Y450-F649 HydrophobicContact CD2-CD2 4.38Å; Y450-F649 AromaticContact CD2-CG 3.73Å; Y450-F649 HydrophobicContact CD2-CG 3.73Å; Y450-F649 HydrophobicContact CE2-CB 4.15Å; Y450-F649 HydrophobicContact CG-CD1 4.45Å; Y453-F649 AromaticContact CD1-CD2 3.72Å; Y453-F649 HydrophobicContact CD1-CD2 3.72Å; Y453-F649 AromaticContact CD1-CE2 3.29Å; Y453-F649 HydrophobicContact CD1-CE2 3.29Å; Y453-F649 HydrophobicContact CD1-CZ 4.16Å; Y453-F649 AromaticContact CD2-CE2 3.82Å; Y453-F649 HydrophobicContact CD2-CE2 3.82Å; Y453-F649 HydrophobicContact CD2-CZ 4.35Å; Y453-F649 AromaticContact CE1-CD2 3.99Å; Y453-F649 HydrophobicContact CE1-CD2 3.99Å; Y453-F649 AromaticContact CE1-CE2 3.78Å; Y453-F649 HydrophobicContact CE1-CE2 3.78Å; Y453-F649 HydrophobicContact CE2-CE2 4.24Å; Y453-F649 HydrophobicContact CG-CD2 4.21Å; Y453-F649 AromaticContact CG-CE2 3.32Å; Y453-F649 HydrophobicContact CG-CE2 3.32Å; Y453-F649 AromaticContact CG-CZ 3.82Å; Y453-F649 HydrophobicContact CG-CZ 3.82Å; L584-F649 HydrophobicContact CD2-CE2 4.17Å; L584-F649 HydrophobicContact CD2-CZ 3.91Å; S645-F649 VanDerWaalsContact O-CB 3.31Å; S645-F649 WeakPolarHBondContact O-CB 3.4Å; S645-F649 PolarHBondContact O-N 3.17Å; V646-F649 WeakPolarHBondContact O-CB 3.32Å; V646-F649 PolarHBondContact O-N 3.47Å; I647-F649 VanDerWaalsContact C-N 3.29Å; I647-F649 PolarHBondContact O-N 3.12Å; F649-L651 VanDerWaalsContact C-N 3.28Å; F649-L651 PolarHBondContact O-N 3.11Å; F649-N652 PolarHBondContact O-N 3.24Å; F649-C653 HydrophobicContact CD2-CB 3.68Å; F649-C653 VanDerWaalsContact CD2-SG 3.52Å; F649-C653 HydrophobicContact CE2-CB 3.5Å; F649-C653 VanDerWaalsContact CE2-CB 3.44Å; F649-C653 HydrophobicContact CG-CB 4.46Å; F649-C653 HydrophobicContact CZ-CB 4.32Å; F649-C653 VanDerWaalsContact O-CB 3.27Å; F649-C653 WeakPolarHBondContact O-CB 3.42Å; F649-C653 PolarHBondContact O-N 3.36Å; F649-L654 HydrophobicContact CE1-CD1 4.08Å; F649-L654 HydrophobicContact CZ-CD1 4.27Å |
| 650 | L | 84 | Confident | 78.1 | Confident | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | -177.9 | -71.9 | 177.2 | 0 | 0 | 0 | 112.1 | M446 F591 I603 V646 I647 L654 M656 | M446-L650 HydrophobicContact CE-CD1 3.34Å; M446-L650 HydrophobicContact CG-CD1 4.4Å; F591-L650 HydrophobicContact CE2-CD2 3.99Å; F591-L650 HydrophobicContact CZ-CD2 3.96Å; I603-L650 HydrophobicContact CD1-CD1 4.22Å; V646-L650 HydrophobicContact CG1-CD1 3.81Å; V646-L650 HydrophobicContact CG1-CG 4.39Å; V646-L650 VanDerWaalsContact O-CG 3.26Å; V646-L650 WeakPolarHBondContact O-CG 3.35Å; V646-L650 PolarHBondContact O-N 2.87Å; I647-L650 HydrophobicContact CD1-CD1 4.38Å; I647-L650 PolarHBondContact O-N 3.18Å; L650-L654 HydrophobicContact CB-CD1 4.32Å; L650-L654 HydrophobicContact CD2-CD1 3.56Å; L650-L654 HydrophobicContact CD2-CG 4.39Å; L650-L654 HydrophobicContact CG-CD1 4.42Å; L650-L654 WeakPolarHBondContact O-CB 3.36Å; L650-L654 PolarHBondContact O-N 3.12Å; L650-L654 VanDerWaalsContact O-N 3.12Å; L650-M656 VanDerWaalsContact O-CG 3.27Å; L650-M656 WeakPolarHBondContact O-CG 3.39Å |
| 651 | L | 83.1 | Confident | 78 | Confident | 2.66667 Ų | 2.66667 | 39.7 Ų | 39.7 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.5 | -41.3 | 177.8 | -70.4 | 173.3 | 0 | 0 | 0 | 112.8 | W600 I647 F649 M656 D657 L667 T722 I723 H726 | W600-L651 HydrophobicContact CH2-CD2 3.89Å; I647-L651 HydrophobicContact CG2-CD1 4Å; I647-L651 HydrophobicContact CG2-CG 4.36Å; I647-L651 WeakPolarHBondContact O-CG 3.41Å; I647-L651 PolarHBondContact O-N 3.19Å; F649-L651 VanDerWaalsContact C-N 3.28Å; F649-L651 PolarHBondContact O-N 3.11Å; L651-M656 HydrophobicContact CD2-CE 3.52Å; L651-M656 HydrophobicContact CD2-SD 4.03Å; L651-M656 WeakPolarHBondContact O-CG 3.41Å; L651-D657 HydrophobicContact CD2-CB 4.47Å; L651-L667 HydrophobicContact CD2-CD1 4.31Å; L651-L667 HydrophobicContact CD2-CD2 4.12Å; L651-T722 HydrophobicContact CB-CG2 3.61Å; L651-T722 HydrophobicContact CD1-CG2 3.75Å; L651-T722 HydrophobicContact CG-CG2 4.33Å; L651-I723 HydrophobicContact CD1-CD1 4.48Å; L651-I723 HydrophobicContact CD1-CG1 3.66Å; L651-H726 PolarHBondContact O-NE2 2.97Å |
| 652 | N | 82 | Confident | 78.1 | Confident | 78 Ų | 78 | 38.2 Ų | 38.2 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -87.2 | -21.2 | -176.1 | -74.3 | -83 | 0 | 0 | 0 | 114.7 | H648 F649 T722 R1186 | H648-N652 PolarHBondContact CE1-ND2 3.5Å; H648-N652 VanDerWaalsContact CE1-ND2 3.32Å; H648-N652 PolarHBondContact ND1-ND2 3.2Å; H648-N652 WeakPolarHBondContact O-CB 3.39Å; H648-N652 PolarHBondContact O-N 2.99Å; H648-N652 VanDerWaalsContact O-N 3.17Å; H648-N652 PolarHBondContact O-ND2 3.04Å; F649-N652 PolarHBondContact O-N 3.24Å; N652-T722 VanDerWaalsContact ND2-CG2 3.27Å; N652-T722 WeakPolarHBondContact ND2-CG2 3.39Å; N652-R1186 PolarHBondContact OD1-NH2 2.85Å |
| 653 | C | 77.3 | Confident | 78 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -117.9 | -11.4 | -170.9 | -60.5 | 0 | 0 | 0 | 0 | 114.8 | L584 F649 | L584-C653 HydrophobicContact CD1-CB 4.25Å; L584-C653 HydrophobicContact CD2-CB 4.25Å; F649-C653 HydrophobicContact CD2-CB 3.68Å; F649-C653 VanDerWaalsContact CD2-SG 3.52Å; F649-C653 HydrophobicContact CE2-CB 3.5Å; F649-C653 VanDerWaalsContact CE2-CB 3.44Å; F649-C653 HydrophobicContact CG-CB 4.46Å; F649-C653 HydrophobicContact CZ-CB 4.32Å; F649-C653 VanDerWaalsContact O-CB 3.27Å; F649-C653 WeakPolarHBondContact O-CB 3.42Å; F649-C653 PolarHBondContact O-N 3.36Å |
| 654 | L | 76.8 | Confident | 77.8 | Confident | 11.6667 Ų | 11.6667 | 36.7 Ų | 36.7 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -109.6 | 140.7 | 169.3 | -67.4 | 167.3 | 0 | 0 | 0 | 108.7 | H588 F591 F649 L650 M656 Y659 | H588-L654 HydrophobicContact CB-CD2 3.92Å; F591-L654 HydrophobicContact CD2-CD1 3.63Å; F591-L654 HydrophobicContact CD2-CD2 4.1Å; F591-L654 HydrophobicContact CE2-CD1 3.85Å; F591-L654 HydrophobicContact CG-CD1 4.29Å; F649-L654 HydrophobicContact CE1-CD1 4.08Å; F649-L654 HydrophobicContact CZ-CD1 4.27Å; L650-L654 HydrophobicContact CB-CD1 4.32Å; L650-L654 HydrophobicContact CD2-CD1 3.56Å; L650-L654 HydrophobicContact CD2-CG 4.39Å; L650-L654 HydrophobicContact CG-CD1 4.42Å; L650-L654 WeakPolarHBondContact O-CB 3.36Å; L650-L654 PolarHBondContact O-N 3.12Å; L650-L654 VanDerWaalsContact O-N 3.12Å; L654-M656 HydrophobicContact CB-CG 3.74Å; L654-M656 HydrophobicContact CB-SD 4.4Å; L654-M656 PolarHBondContact O-N 3.17Å; L654-Y659 HydrophobicContact CB-CE2 4.43Å |
| 655 | P | 73.3 | Confident | 77.8 | Confident | 57.3333 Ų | 57.3333 | 39.6 Ų | 39.6 | 37% | 0.372 | 21% | 0.214 | S | C | . | . | trans | -74.4 | 82.8 | 178.1 | 29.1 | -32.4 | 0 | 0 | 0 | 110.4 | H588 D657 M658 | H588-P655 VanDerWaalsContact CD2-CG 3.48Å; H588-P655 WeakPolarHBondContact CD2-CG 3.42Å; H588-P655 WeakPolarHBondContact NE2-CG 3.24Å; P655-D657 VanDerWaalsContact C-OD1 3.29Å; P655-D657 VanDerWaalsContact CA-OD1 3.26Å; P655-D657 WeakPolarHBondContact CA-OD1 3.46Å; P655-D657 PolarHBondContact O-N 3.15Å; P655-M658 HydrophobicContact CB-CB 4.44Å; P655-M658 HydrophobicContact CB-CG 4.1Å; P655-M658 HydrophobicContact CG-CB 4.48Å; P655-M658 HydrophobicContact CG-CG 3.93Å; P655-M658 WeakPolarHBondContact O-CB 3.35Å; P655-M658 PolarHBondContact O-N 3.03Å | ||
| 656 | M | 70.4 | Confident | 78 | Confident | 6.66667 Ų | 6.66667 | 39.6 Ų | 39.6 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -68.4 | -26.1 | -179.2 | -64.8 | -56.8 | -56.6 | 0 | 0 | 112.7 | W600 L650 L651 L654 M658 Y659 V662 L667 | W600-M656 HydrophobicContact CH2-CE 4.29Å; W600-M656 HydrophobicContact CZ2-CE 3.75Å; L650-M656 VanDerWaalsContact O-CG 3.27Å; L650-M656 WeakPolarHBondContact O-CG 3.39Å; L651-M656 HydrophobicContact CD2-CE 3.52Å; L651-M656 HydrophobicContact CD2-SD 4.03Å; L651-M656 WeakPolarHBondContact O-CG 3.41Å; L654-M656 HydrophobicContact CB-CG 3.74Å; L654-M656 HydrophobicContact CB-SD 4.4Å; L654-M656 PolarHBondContact O-N 3.17Å; M656-M658 PolarHBondContact O-N 3.13Å; M656-M658 VanDerWaalsContact O-N 3.09Å; M656-Y659 HydrophobicContact CE-CD2 3.99Å; M656-Y659 HydrophobicContact CE-CE2 3.34Å; M656-Y659 WeakPolarHBondContact O-CB 3.31Å; M656-Y659 PolarHBondContact O-N 3Å; M656-Y659 HydrophobicContact SD-CE2 3.79Å; M656-V662 HydrophobicContact CE-CB 4.38Å; M656-V662 HydrophobicContact CE-CG1 3.49Å; M656-L667 HydrophobicContact CE-CD1 4.45Å |
| 657 | D | 63.3 | Low | 78.2 | Confident | 82.3333 Ų | 82.3333 | 39.6 Ų | 39.6 | 44% | 0.44 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -59.7 | -21 | 173.8 | -26.5 | -76.6 | 0 | 0 | 0 | 113.9 | L651 P655 Y659 R663 H726 | L651-D657 HydrophobicContact CD2-CB 4.47Å; P655-D657 VanDerWaalsContact C-OD1 3.29Å; P655-D657 VanDerWaalsContact CA-OD1 3.26Å; P655-D657 WeakPolarHBondContact CA-OD1 3.46Å; P655-D657 PolarHBondContact O-N 3.15Å; D657-Y659 VanDerWaalsContact C-N 3.34Å; D657-R663 VanDerWaalsContact CG-NH1 3.28Å; D657-R663 VanDerWaalsContact O-CG 3.25Å; D657-R663 WeakPolarHBondContact O-CG 3.26Å; D657-R663 PolarHBondContact O-NE 3.45Å; D657-R663 IonicContact OD1-CZ 3.14Å; D657-R663 VanDerWaalsContact OD1-CZ 3.27Å; D657-R663 IonicContact OD1-NH1 3.36Å; D657-R663 PolarHBondContact OD1-NH1 3.17Å; D657-R663 IonicContact OD1-NH2 3.36Å; D657-R663 PolarHBondContact OD1-NH2 3.01Å; D657-R663 IonicContact OD2-CZ 3.43Å; D657-R663 IonicContact OD2-NE 3.52Å; D657-R663 IonicContact OD2-NH1 3.08Å; D657-R663 IonicContact OD2-NH2 3.33Å; D657-R663 PolarHBondContact OD2-NH2 3.19Å; D657-H726 IonicContact OD2-CE1 2.66Å; D657-H726 IonicContact OD2-ND1 3.42Å; D657-H726 PolarHBondContact OD2-ND1 3.08Å |
| 658 | M | 64.4 | Low | 78.2 | Confident | 131.667 Ų | 131.667 | 39.6 Ų | 39.6 | 65% | 0.649 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -85.5 | -6.5 | -179.1 | -61.3 | -60 | -57.1 | 0 | 0 | 113.6 | P655 M656 | P655-M658 HydrophobicContact CB-CB 4.44Å; P655-M658 HydrophobicContact CB-CG 4.1Å; P655-M658 HydrophobicContact CG-CB 4.48Å; P655-M658 HydrophobicContact CG-CG 3.93Å; P655-M658 WeakPolarHBondContact O-CB 3.35Å; P655-M658 PolarHBondContact O-N 3.03Å; M656-M658 PolarHBondContact O-N 3.13Å; M656-M658 VanDerWaalsContact O-N 3.09Å |
| 659 | Y | 71.6 | Confident | 78.4 | Confident | 26.3333 Ų | 26.3333 | 39.8 Ų | 39.8 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -96.8 | 125.2 | -179 | -62.5 | -62.5 | 0 | 0 | 0 | 110.8 | H588 F591 S592 L654 M656 D657 N661 V662 | H588-Y659 AromaticContact CE1-CE2 3.77Å; H588-Y659 AromaticContact CE1-CZ 3.89Å; H588-Y659 AromaticContact ND1-CZ 3.62Å; H588-Y659 PolarHBondContact ND1-OH 2.92Å; F591-Y659 VanDerWaalsContact C-OH 3.22Å; F591-Y659 HydrophobicContact CB-CE1 4.29Å; F591-Y659 VanDerWaalsContact CB-OH 3.28Å; F591-Y659 WeakPolarHBondContact CB-OH 3.42Å; S592-Y659 PolarHBondContact N-OH 2.98Å; S592-Y659 VanDerWaalsContact N-OH 3.14Å; L654-Y659 HydrophobicContact CB-CE2 4.43Å; M656-Y659 HydrophobicContact CE-CD2 3.99Å; M656-Y659 HydrophobicContact CE-CE2 3.34Å; M656-Y659 WeakPolarHBondContact O-CB 3.31Å; M656-Y659 PolarHBondContact O-N 3Å; M656-Y659 HydrophobicContact SD-CE2 3.79Å; D657-Y659 VanDerWaalsContact C-N 3.34Å; Y659-N661 PolarHBondContact O-N 3.45Å; Y659-V662 VanDerWaalsContact CB-CG2 3.43Å; Y659-V662 HydrophobicContact CG-CG2 4.44Å; Y659-V662 WeakPolarHBondContact O-CB 3.33Å; Y659-V662 WeakPolarHBondContact O-CG2 3.18Å; Y659-V662 PolarHBondContact O-N 3.41Å |
| 660 | P | 69.5 | Low | 78.5 | Confident | 95 Ų | 95 | 39.6 Ų | 39.6 | 62% | 0.617 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 145.4 | -180 | 25.6 | -34.2 | 0 | 0 | 0 | 111.3 | V662 | P660-V662 PolarHBondContact O-N 3.19Š|
| 661 | N | 76.9 | Confident | 78.7 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 3.7 | 176.7 | -51.1 | 7.9 | 0 | 0 | 0 | 115.8 | Y659 S664 H665 Y666 Q781 | Y659-N661 PolarHBondContact O-N 3.45Å; N661-S664 VanDerWaalsContact CA-OG 3.28Å; N661-S664 WeakPolarHBondContact CA-OG 3.35Å; N661-S664 PolarHBondContact O-OG 3.14Å; N661-H665 HydrophobicContact CB-CB 4.29Å; N661-H665 WeakPolarHBondContact O-CA 3.34Å; N661-H665 WeakPolarHBondContact O-CB 3.44Å; N661-H665 PolarHBondContact O-N 3.33Å; N661-Y666 HydrophobicContact CB-CD2 4.33Å; N661-Y666 HydrophobicContact CB-CE2 4.18Å; N661-Y666 WeakPolarHBondContact O-CD2 3.37Å; N661-Y666 PolarHBondContact O-N 3.25Å; N661-Q781 PolarHBondContact ND2-NE2 2.92Å; N661-Q781 PolarHBondContact OD1-NE2 3.25Å; N661-Q781 VanDerWaalsContact OD1-NE2 3.1Å |
| 662 | V | 80.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -70.9 | -56.1 | -177.1 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | W600 M656 Y659 P660 S664 Y666 L667 | W600-V662 HydrophobicContact CD2-CG1 4.48Å; W600-V662 HydrophobicContact CH2-CG1 4.43Å; W600-V662 HydrophobicContact CZ2-CG1 3.57Å; W600-V662 VanDerWaalsContact NE1-CG2 3.33Å; M656-V662 HydrophobicContact CE-CB 4.38Å; M656-V662 HydrophobicContact CE-CG1 3.49Å; Y659-V662 VanDerWaalsContact CB-CG2 3.43Å; Y659-V662 HydrophobicContact CG-CG2 4.44Å; Y659-V662 WeakPolarHBondContact O-CB 3.33Å; Y659-V662 WeakPolarHBondContact O-CG2 3.18Å; Y659-V662 PolarHBondContact O-N 3.41Å; P660-V662 PolarHBondContact O-N 3.19Å; V662-S664 VanDerWaalsContact C-N 3.26Å; V662-S664 PolarHBondContact O-N 3.23Å; V662-Y666 HydrophobicContact CG2-CD2 4.07Å; V662-Y666 PolarHBondContact O-N 3.32Å; V662-L667 HydrophobicContact CG1-CD1 4.26Å; V662-L667 HydrophobicContact CG1-CD2 4.38Å; V662-L667 HydrophobicContact CG1-CG 4.03Å; V662-L667 WeakPolarHBondContact O-CB 3.3Å; V662-L667 WeakPolarHBondContact O-CG 3.42Å; V662-L667 PolarHBondContact O-N 3.1Å |
| 663 | R | 80.2 | Confident | 79 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -68.8 | -23.5 | 179.5 | -60.2 | -174 | 178.3 | 157.7 | 1.5 | 113.6 | D657 L667 P668 H726 E729 Y730 | D657-R663 VanDerWaalsContact CG-NH1 3.28Å; D657-R663 VanDerWaalsContact O-CG 3.25Å; D657-R663 WeakPolarHBondContact O-CG 3.26Å; D657-R663 PolarHBondContact O-NE 3.45Å; D657-R663 IonicContact OD1-CZ 3.14Å; D657-R663 VanDerWaalsContact OD1-CZ 3.27Å; D657-R663 IonicContact OD1-NH1 3.36Å; D657-R663 PolarHBondContact OD1-NH1 3.17Å; D657-R663 IonicContact OD1-NH2 3.36Å; D657-R663 PolarHBondContact OD1-NH2 3.01Å; D657-R663 IonicContact OD2-CZ 3.43Å; D657-R663 IonicContact OD2-NE 3.52Å; D657-R663 IonicContact OD2-NH1 3.08Å; D657-R663 IonicContact OD2-NH2 3.33Å; D657-R663 PolarHBondContact OD2-NH2 3.19Å; R663-L667 HydrophobicContact CG-CD1 4.37Å; R663-P668 WeakPolarHBondContact O-CD 3.47Å; R663-H726 WeakPolarHBondContact CD-O 3.44Å; R663-H726 HydrophobicContact CG-CB 4.33Å; R663-E729 IonicContact CZ-OE2 3.16Å; R663-E729 IonicContact NE-OE2 3.85Å; R663-E729 IonicContact NH1-OE2 2.65Å; R663-E729 PolarHBondContact NH1-OE2 3.35Å; R663-E729 IonicContact NH2-OE2 3.26Å; R663-E729 PolarHBondContact NH2-OE2 2.96Å; R663-Y730 HydrophobicContact CB-CD1 4.45Å; R663-Y730 HydrophobicContact CB-CD2 3.99Å; R663-Y730 HydrophobicContact CB-CG 3.77Å |
| 664 | S | 79 | Confident | 79.4 | Confident | 2.66667 Ų | 2.66667 | 36 Ų | 36 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -95.6 | -33.9 | -171.7 | 67.5 | 0 | 0 | 0 | 0 | 114.6 | N661 V662 P668 Y730 E785 | N661-S664 VanDerWaalsContact CA-OG 3.28Å; N661-S664 WeakPolarHBondContact CA-OG 3.35Å; N661-S664 PolarHBondContact O-OG 3.14Å; V662-S664 VanDerWaalsContact C-N 3.26Å; V662-S664 PolarHBondContact O-N 3.23Å; S664-P668 WeakPolarHBondContact O-CG 3.32Å; S664-Y730 VanDerWaalsContact CB-CE1 3.42Å; S664-Y730 VanDerWaalsContact CB-OH 3.23Å; S664-Y730 WeakPolarHBondContact CB-OH 3.26Å; S664-E785 VanDerWaalsContact CB-CD 3.41Å; S664-E785 VanDerWaalsContact CB-OE1 3.28Å; S664-E785 WeakPolarHBondContact CB-OE1 3.33Å; S664-E785 WeakPolarHBondContact CB-OE2 3.48Å; S664-E785 VanDerWaalsContact OG-CD 3.29Å; S664-E785 PolarHBondContact OG-OE1 3Å |
| 665 | H | 83.6 | Confident | 79.8 | Confident | 64.6667 Ų | 64.6667 | 35.4 Ų | 35.4 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -122.1 | -56.9 | -175 | -174.6 | 89.2 | 0 | 0 | 0 | 111.7 | N661 L667 P668 H669 | N661-H665 HydrophobicContact CB-CB 4.29Å; N661-H665 WeakPolarHBondContact O-CA 3.34Å; N661-H665 WeakPolarHBondContact O-CB 3.44Å; N661-H665 PolarHBondContact O-N 3.33Å; H665-L667 PolarHBondContact O-N 3.22Å; H665-P668 WeakPolarHBondContact O-CD 3.34Å; H665-H669 VanDerWaalsContact O-CB 3.28Å; H665-H669 WeakPolarHBondContact O-CB 3.27Å; H665-H669 PolarHBondContact O-N 3.14Å; H665-H669 VanDerWaalsContact O-N 3.08Å |
| 666 | Y | 84.7 | Confident | 80.4 | Confident | 44 Ų | 44 | 35.4 Ų | 35.4 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -69.8 | -37.4 | -173.4 | -62.6 | -64.5 | 0 | 0 | 0 | 113.8 | E597 W600 N661 V662 L670 | E597-Y666 WeakPolarHBondContact CA-OH 3.14Å; E597-Y666 HydrophobicContact CB-CE1 4.41Å; E597-Y666 WeakPolarHBondContact CB-OH 3.33Å; E597-Y666 HydrophobicContact CG-CE1 4.36Å; E597-Y666 PolarHBondContact N-OH 2.96Å; W600-Y666 HydrophobicContact CB-CD1 3.82Å; W600-Y666 HydrophobicContact CB-CG 3.96Å; W600-Y666 AromaticContact CD1-CD2 3.79Å; W600-Y666 AromaticContact CD1-CG 3.69Å; W600-Y666 HydrophobicContact CG-CD1 4.27Å; W600-Y666 HydrophobicContact CG-CD2 4.34Å; W600-Y666 AromaticContact CG-CG 3.9Å; W600-Y666 HydrophobicContact CG-CG 3.9Å; N661-Y666 HydrophobicContact CB-CD2 4.33Å; N661-Y666 HydrophobicContact CB-CE2 4.18Å; N661-Y666 WeakPolarHBondContact O-CD2 3.37Å; N661-Y666 PolarHBondContact O-N 3.25Å; V662-Y666 HydrophobicContact CG2-CD2 4.07Å; V662-Y666 PolarHBondContact O-N 3.32Å; Y666-L670 VanDerWaalsContact O-CB 3.3Å; Y666-L670 WeakPolarHBondContact O-CB 3.27Å; Y666-L670 PolarHBondContact O-N 2.92Å |
| 667 | L | 87.4 | Confident | 81 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.5 | -45.5 | 177.8 | -70.5 | -168.6 | 0 | 0 | 0 | 113.4 | W600 L651 M656 V662 R663 H665 H669 L670 I671 I723 H726 I727 | W600-L667 HydrophobicContact CE3-CD2 4.39Å; W600-L667 HydrophobicContact CH2-CD2 3.97Å; W600-L667 HydrophobicContact CZ3-CD2 3.85Å; L651-L667 HydrophobicContact CD2-CD1 4.31Å; L651-L667 HydrophobicContact CD2-CD2 4.12Å; M656-L667 HydrophobicContact CE-CD1 4.45Å; V662-L667 HydrophobicContact CG1-CD1 4.26Å; V662-L667 HydrophobicContact CG1-CD2 4.38Å; V662-L667 HydrophobicContact CG1-CG 4.03Å; V662-L667 WeakPolarHBondContact O-CB 3.3Å; V662-L667 WeakPolarHBondContact O-CG 3.42Å; V662-L667 PolarHBondContact O-N 3.1Å; R663-L667 HydrophobicContact CG-CD1 4.37Å; H665-L667 PolarHBondContact O-N 3.22Å; L667-H669 VanDerWaalsContact C-N 3.33Å; L667-H669 PolarHBondContact O-N 3.06Å; L667-L670 HydrophobicContact CD2-CD2 4.46Å; L667-L670 PolarHBondContact O-N 2.88Å; L667-I671 PolarHBondContact O-N 3.11Å; L667-I671 VanDerWaalsContact O-N 3.1Å; L667-I723 HydrophobicContact CB-CG2 3.83Å; L667-I723 HydrophobicContact CD1-CG2 4.31Å; L667-I723 HydrophobicContact CD2-CG2 4.09Å; L667-I723 HydrophobicContact CG-CG2 4.27Å; L667-H726 HydrophobicContact CD1-CB 3.86Å; L667-I727 HydrophobicContact CB-CD1 4.13Å; L667-I727 HydrophobicContact CB-CG1 3.99Å |
| 668 | P | 85.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 170.7 | -28 | 37.5 | 0 | 0 | 0 | 112.9 | R663 S664 H665 L670 I671 T672 I727 M788 I789 A792 | R663-P668 WeakPolarHBondContact O-CD 3.47Å; S664-P668 WeakPolarHBondContact O-CG 3.32Å; H665-P668 WeakPolarHBondContact O-CD 3.34Å; P668-L670 VanDerWaalsContact C-N 3.33Å; P668-L670 PolarHBondContact O-N 3.22Å; P668-I671 PolarHBondContact O-N 3.23Å; P668-I671 VanDerWaalsContact O-N 3.16Å; P668-T672 WeakPolarHBondContact O-CB 3.3Å; P668-T672 PolarHBondContact O-N 3.34Å; P668-T672 PolarHBondContact O-OG1 3.04Å; P668-I727 HydrophobicContact CB-CD1 4.46Å; P668-I727 HydrophobicContact CG-CD1 3.95Å; P668-I727 HydrophobicContact CG-CG1 4.14Å; P668-I727 HydrophobicContact CG-CG2 4.43Å; P668-M788 HydrophobicContact CB-CB 4.4Å; P668-I789 HydrophobicContact CB-CG1 4.34Å; P668-I789 HydrophobicContact CG-CG1 3.72Å; P668-A792 HydrophobicContact CB-CB 3.96Å; P668-A792 WeakPolarHBondContact O-CB 3.48Å |
| 669 | H | 87.5 | Confident | 82.8 | Confident | 74 Ų | 74 | 25.7 Ų | 25.7 | 34% | 0.343 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.2 | -166.2 | 69.9 | 0 | 0 | 0 | 112 | E604 H665 L667 I671 T672 H673 M788 | E604-H669 IonicContact OE2-CD2 3.13Å; E604-H669 IonicContact OE2-NE2 2.59Å; H665-H669 VanDerWaalsContact O-CB 3.28Å; H665-H669 WeakPolarHBondContact O-CB 3.27Å; H665-H669 PolarHBondContact O-N 3.14Å; H665-H669 VanDerWaalsContact O-N 3.08Å; L667-H669 VanDerWaalsContact C-N 3.33Å; L667-H669 PolarHBondContact O-N 3.06Å; H669-I671 PolarHBondContact O-N 3.04Å; H669-T672 WeakPolarHBondContact O-CB 3.37Å; H669-T672 PolarHBondContact O-N 3.04Å; H669-H673 WeakPolarHBondContact O-CB 3.41Å; H669-H673 PolarHBondContact O-N 3.3Å; H669-M788 HydrophobicContact CB-CE 3.97Å |
| 670 | L | 87.1 | Confident | 83.2 | Confident | 4.66667 Ų | 4.66667 | 28.5 Ų | 28.5 | 2% | 0.024 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 176.2 | -176.2 | 62.2 | 0 | 0 | 0 | 112.5 | W600 I603 E604 F607 Y666 L667 P668 L674 I723 | W600-L670 HydrophobicContact CE3-CD2 4.21Å; W600-L670 HydrophobicContact CZ3-CD2 4.07Å; I603-L670 HydrophobicContact CG2-CD1 4.38Å; I603-L670 HydrophobicContact CG2-CD2 4.37Å; E604-L670 HydrophobicContact CB-CD1 4.39Å; F607-L670 HydrophobicContact CD2-CD1 4.12Å; F607-L670 HydrophobicContact CE2-CD1 4.4Å; Y666-L670 VanDerWaalsContact O-CB 3.3Å; Y666-L670 WeakPolarHBondContact O-CB 3.27Å; Y666-L670 PolarHBondContact O-N 2.92Å; L667-L670 HydrophobicContact CD2-CD2 4.46Å; L667-L670 PolarHBondContact O-N 2.88Å; P668-L670 VanDerWaalsContact C-N 3.33Å; P668-L670 PolarHBondContact O-N 3.22Å; L670-L674 HydrophobicContact CD1-CD1 4.13Å; L670-L674 HydrophobicContact CD1-CG 4.12Å; L670-L674 HydrophobicContact CG-CD1 3.94Å; L670-L674 HydrophobicContact CG-CG 4.37Å; L670-L674 VanDerWaalsContact O-CB 3.25Å; L670-L674 WeakPolarHBondContact O-CB 3.41Å; L670-L674 WeakPolarHBondContact O-CG 3.27Å; L670-L674 PolarHBondContact O-N 2.88Å; L670-I723 HydrophobicContact CD2-CD1 3.93Å; L670-I723 HydrophobicContact CG-CD1 4.39Å |
| 671 | I | 88 | Confident | 83.4 | Confident | 0.666667 Ų | 0.666667 | 26.3 Ų | 26.3 | 0% | 0.003 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 171.4 | -68.1 | -171.3 | 0 | 0 | 0 | 110.6 | L667 P668 H669 H673 L674 T675 L720 I723 V724 I727 A792 F796 M900 | L667-I671 PolarHBondContact O-N 3.11Å; L667-I671 VanDerWaalsContact O-N 3.1Å; P668-I671 PolarHBondContact O-N 3.23Å; P668-I671 VanDerWaalsContact O-N 3.16Å; H669-I671 PolarHBondContact O-N 3.04Å; I671-H673 VanDerWaalsContact C-N 3.31Å; I671-H673 PolarHBondContact O-N 3.25Å; I671-L674 PolarHBondContact O-N 3.36Å; I671-T675 HydrophobicContact CG2-CG2 4.23Å; I671-T675 WeakPolarHBondContact O-CB 3.36Å; I671-T675 WeakPolarHBondContact O-CG2 3.38Å; I671-T675 PolarHBondContact O-N 3.04Å; I671-T675 PolarHBondContact O-OG1 3.05Å; I671-L720 HydrophobicContact CG1-CD2 4.19Å; I671-I723 HydrophobicContact CD1-CB 4.29Å; I671-I723 HydrophobicContact CD1-CG2 3.78Å; I671-I723 HydrophobicContact CG1-CB 4.28Å; I671-I723 HydrophobicContact CG1-CG2 3.63Å; I671-V724 HydrophobicContact CD1-CG2 3.65Å; I671-I727 HydrophobicContact CD1-CD1 3.56Å; I671-I727 HydrophobicContact CG1-CD1 4.27Å; I671-A792 HydrophobicContact CB-CB 4.4Å; I671-A792 HydrophobicContact CG2-CB 4.36Å; I671-F796 HydrophobicContact CG2-CB 4.4Å; I671-F796 HydrophobicContact CG2-CD2 4.33Å; I671-M900 HydrophobicContact CD1-CE 4.06Å; I671-M900 HydrophobicContact CG2-CE 4.19Å |
| 672 | T | 86.6 | Confident | 83.3 | Confident | 9.66667 Ų | 9.66667 | 23.7 Ų | 23.7 | 6% | 0.059 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.6 | -46.6 | 178.3 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | P668 H669 T675 N676 A792 Q795 | P668-T672 WeakPolarHBondContact O-CB 3.3Å; P668-T672 PolarHBondContact O-N 3.34Å; P668-T672 PolarHBondContact O-OG1 3.04Å; H669-T672 WeakPolarHBondContact O-CB 3.37Å; H669-T672 PolarHBondContact O-N 3.04Å; T672-T675 PolarHBondContact O-OG1 3.01Å; T672-T675 VanDerWaalsContact O-OG1 3.07Å; T672-N676 VanDerWaalsContact O-CB 3.31Å; T672-N676 WeakPolarHBondContact O-CB 3.29Å; T672-N676 VanDerWaalsContact O-CG 3.25Å; T672-N676 PolarHBondContact O-N 3.15Å; T672-N676 PolarHBondContact O-ND2 3.23Å; T672-N676 VanDerWaalsContact O-ND2 3.13Å; T672-A792 WeakPolarHBondContact OG1-CA 3.42Å; T672-Q795 HydrophobicContact CG2-CG 4.02Å |
| 673 | H | 86 | Confident | 83 | Confident | 35 Ų | 35 | 27.1 Ų | 27.1 | 16% | 0.162 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.9 | -45.6 | 178.3 | -173.9 | 65.1 | 0 | 0 | 0 | 113.3 | E604 T608 H669 I671 T675 N676 C677 | E604-H673 HydrophobicContact CG-CB 4.23Å; E604-H673 WeakPolarHBondContact CG-CD2 3.29Å; E604-H673 PolarHBondContact O-NE2 3.44Å; E604-H673 IonicContact OE1-CD2 2.68Å; E604-H673 IonicContact OE1-CE1 2.71Å; E604-H673 IonicContact OE1-CG 3.22Å; E604-H673 IonicContact OE1-ND1 3.95Å; E604-H673 IonicContact OE1-NE2 2.65Å; T608-H673 PolarHBondContact OG1-CE1 3.17Å; T608-H673 VanDerWaalsContact OG1-CE1 3.29Å; T608-H673 PolarHBondContact OG1-NE2 3.25Å; H669-H673 WeakPolarHBondContact O-CB 3.41Å; H669-H673 PolarHBondContact O-N 3.3Å; I671-H673 VanDerWaalsContact C-N 3.31Å; I671-H673 PolarHBondContact O-N 3.25Å; H673-T675 PolarHBondContact O-N 3.26Å; H673-N676 PolarHBondContact O-N 3.32Å; H673-C677 PolarHBondContact CE1-SG 3.06Å; H673-C677 VanDerWaalsContact CE1-SG 3.57Å; H673-C677 PolarHBondContact NE2-SG 3.23Å; H673-C677 VanDerWaalsContact NE2-SG 3.44Å; H673-C677 PolarHBondContact O-N 3.02Å; H673-C677 PolarHBondContact O-SG 2.96Å |
| 674 | L | 85.8 | Confident | 82.3 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.4 | -76.3 | 172.5 | 0 | 0 | 0 | 111.9 | F607 L611 L670 I671 C677 L678 I716 L720 I723 | F607-L674 HydrophobicContact CB-CD2 3.81Å; F607-L674 HydrophobicContact CD1-CD2 3.61Å; F607-L674 HydrophobicContact CD2-CD2 3.94Å; F607-L674 HydrophobicContact CE1-CD2 4.07Å; F607-L674 HydrophobicContact CE2-CD2 4.37Å; F607-L674 HydrophobicContact CG-CD2 3.54Å; F607-L674 HydrophobicContact CZ-CD2 4.37Å; L611-L674 HydrophobicContact CD1-CD2 4.3Å; L670-L674 HydrophobicContact CD1-CD1 4.13Å; L670-L674 HydrophobicContact CD1-CG 4.12Å; L670-L674 HydrophobicContact CG-CD1 3.94Å; L670-L674 HydrophobicContact CG-CG 4.37Å; L670-L674 VanDerWaalsContact O-CB 3.25Å; L670-L674 WeakPolarHBondContact O-CB 3.41Å; L670-L674 WeakPolarHBondContact O-CG 3.27Å; L670-L674 PolarHBondContact O-N 2.88Å; I671-L674 PolarHBondContact O-N 3.36Å; L674-C677 PolarHBondContact O-N 3.2Å; L674-L678 WeakPolarHBondContact O-CB 3.42Å; L674-L678 WeakPolarHBondContact O-CD1 3.15Å; L674-L678 VanDerWaalsContact O-CG 3.25Å; L674-L678 WeakPolarHBondContact O-CG 3.37Å; L674-L678 PolarHBondContact O-N 3.29Å; L674-I716 HydrophobicContact CD2-CD1 4.1Å; L674-L720 HydrophobicContact CB-CD2 4.27Å; L674-L720 HydrophobicContact CD1-CD2 3.86Å; L674-I723 HydrophobicContact CD1-CD1 4.28Å |
| 675 | T | 84.5 | Confident | 81.4 | Confident | 0.333333 Ų | 0.333333 | 32.4 Ų | 32.4 | 0% | 0.002 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.1 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | I671 T672 H673 L678 V679 F796 F799 | I671-T675 HydrophobicContact CG2-CG2 4.23Å; I671-T675 WeakPolarHBondContact O-CB 3.36Å; I671-T675 WeakPolarHBondContact O-CG2 3.38Å; I671-T675 PolarHBondContact O-N 3.04Å; I671-T675 PolarHBondContact O-OG1 3.05Å; T672-T675 PolarHBondContact O-OG1 3.01Å; T672-T675 VanDerWaalsContact O-OG1 3.07Å; H673-T675 PolarHBondContact O-N 3.26Å; T675-L678 PolarHBondContact O-N 3.19Å; T675-V679 WeakPolarHBondContact O-CB 3.45Å; T675-V679 VanDerWaalsContact O-CG2 3.32Å; T675-V679 WeakPolarHBondContact O-CG2 3.36Å; T675-V679 PolarHBondContact O-N 2.86Å; T675-F796 HydrophobicContact CG2-CB 4.37Å; T675-F796 HydrophobicContact CG2-CD2 3.65Å; T675-F796 HydrophobicContact CG2-CE2 4.4Å; T675-F796 HydrophobicContact CG2-CG 4.43Å; T675-F799 HydrophobicContact CG2-CB 4.17Å; T675-F799 HydrophobicContact CG2-CD1 4.46Å; T675-F799 HydrophobicContact CG2-CG 4.34Å |
| 676 | N | 85.7 | Confident | 79.9 | Confident | 57 Ų | 57 | 34.3 Ų | 34.3 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 173.5 | -75.2 | -26.3 | 0 | 0 | 0 | 112.3 | T672 H673 L678 V679 E680 | T672-N676 VanDerWaalsContact O-CB 3.31Å; T672-N676 WeakPolarHBondContact O-CB 3.29Å; T672-N676 VanDerWaalsContact O-CG 3.25Å; T672-N676 PolarHBondContact O-N 3.15Å; T672-N676 PolarHBondContact O-ND2 3.23Å; T672-N676 VanDerWaalsContact O-ND2 3.13Å; H673-N676 PolarHBondContact O-N 3.32Å; N676-L678 VanDerWaalsContact C-N 3.29Å; N676-L678 PolarHBondContact O-N 3.14Å; N676-V679 WeakPolarHBondContact O-CB 3.49Å; N676-V679 PolarHBondContact O-N 3Å; N676-V679 VanDerWaalsContact O-N 3.15Å; N676-E680 WeakPolarHBondContact O-CG 3.47Å; N676-E680 PolarHBondContact O-N 3.11Å |
| 677 | C | 82.5 | Confident | 78.5 | Confident | 10.3333 Ų | 10.3333 | 37.3 Ų | 37.3 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -34.7 | 176.1 | -72.6 | 0 | 0 | 0 | 0 | 113 | L611 H673 L674 K681 | L611-C677 HydrophobicContact CB-CB 4.47Å; L611-C677 HydrophobicContact CD1-CB 3.5Å; H673-C677 PolarHBondContact CE1-SG 3.06Å; H673-C677 VanDerWaalsContact CE1-SG 3.57Å; H673-C677 PolarHBondContact NE2-SG 3.23Å; H673-C677 VanDerWaalsContact NE2-SG 3.44Å; H673-C677 PolarHBondContact O-N 3.02Å; H673-C677 PolarHBondContact O-SG 2.96Å; L674-C677 PolarHBondContact O-N 3.2Å; C677-K681 VanDerWaalsContact O-CB 3.3Å; C677-K681 WeakPolarHBondContact O-CB 3.25Å; C677-K681 WeakPolarHBondContact O-CG 3.44Å; C677-K681 PolarHBondContact O-N 3.05Å; C677-K681 VanDerWaalsContact O-N 3.15Å |
| 678 | L | 83.2 | Confident | 76.8 | Confident | 2.66667 Ų | 2.66667 | 42.5 Ų | 42.5 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.1 | -39.6 | 173.9 | -69.6 | 169.1 | 0 | 0 | 0 | 112 | L611 L674 T675 N676 K681 L682 L708 W713 I716 F799 | L611-L678 HydrophobicContact CD2-CD2 4.38Å; L674-L678 WeakPolarHBondContact O-CB 3.42Å; L674-L678 WeakPolarHBondContact O-CD1 3.15Å; L674-L678 VanDerWaalsContact O-CG 3.25Å; L674-L678 WeakPolarHBondContact O-CG 3.37Å; L674-L678 PolarHBondContact O-N 3.29Å; T675-L678 PolarHBondContact O-N 3.19Å; N676-L678 VanDerWaalsContact C-N 3.29Å; N676-L678 PolarHBondContact O-N 3.14Å; L678-K681 PolarHBondContact O-N 3.06Å; L678-L682 WeakPolarHBondContact O-CB 3.23Å; L678-L682 VanDerWaalsContact O-CG 3.28Å; L678-L682 WeakPolarHBondContact O-CG 3.37Å; L678-L682 PolarHBondContact O-N 3.22Å; L678-L708 HydrophobicContact CD2-CD2 4.39Å; L678-W713 HydrophobicContact CD1-CZ3 4.36Å; L678-W713 HydrophobicContact CD2-CH2 4.18Å; L678-W713 HydrophobicContact CD2-CZ3 4.12Å; L678-I716 HydrophobicContact CD1-CD1 4.15Å; L678-I716 HydrophobicContact CD1-CG1 4.49Å; L678-I716 HydrophobicContact CD1-CG2 3.89Å; L678-I716 HydrophobicContact CD2-CD1 3.93Å; L678-I716 HydrophobicContact CG-CD1 4.17Å; L678-F799 HydrophobicContact CB-CD2 4.13Å; L678-F799 HydrophobicContact CB-CE2 3.82Å; L678-F799 HydrophobicContact CD1-CE2 4.14Å; L678-F799 HydrophobicContact CD1-CZ 4.27Å |
| 679 | V | 82.1 | Confident | 75 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 175 | 160.4 | 0 | 0 | 0 | 0 | 111.2 | T675 N676 K681 L682 R683 F799 I802 | T675-V679 WeakPolarHBondContact O-CB 3.45Å; T675-V679 VanDerWaalsContact O-CG2 3.32Å; T675-V679 WeakPolarHBondContact O-CG2 3.36Å; T675-V679 PolarHBondContact O-N 2.86Å; N676-V679 WeakPolarHBondContact O-CB 3.49Å; N676-V679 PolarHBondContact O-N 3Å; N676-V679 VanDerWaalsContact O-N 3.15Å; V679-K681 VanDerWaalsContact C-N 3.33Å; V679-K681 PolarHBondContact O-N 3.18Å; V679-L682 PolarHBondContact O-N 3.17Å; V679-L682 VanDerWaalsContact O-N 3.13Å; V679-R683 WeakPolarHBondContact O-CG 3.39Å; V679-R683 PolarHBondContact O-N 3.17Å; V679-F799 HydrophobicContact CG2-CB 4.14Å; V679-F799 HydrophobicContact CG2-CD2 4.14Å; V679-I802 HydrophobicContact CB-CD1 4.32Å; V679-I802 HydrophobicContact CG1-CD1 3.51Å; V679-I802 VanDerWaalsContact CG1-CD1 3.48Å; V679-I802 HydrophobicContact CG1-CG2 4.46Å; V679-I802 HydrophobicContact CG2-CB 4.38Å; V679-I802 HydrophobicContact CG2-CD1 3.87Å; V679-I802 HydrophobicContact CG2-CG2 4.34Å |
| 680 | E | 80 | Confident | 72.9 | Confident | 84 Ų | 84 | 53.2 Ų | 53.2 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 179 | -68.7 | -55.4 | 108.9 | 0 | 0 | 111.9 | V613 N676 L682 R683 V684 | V613-E680 HydrophobicContact CG1-CB 4.35Å; V613-E680 HydrophobicContact CG2-CB 3.84Å; N676-E680 WeakPolarHBondContact O-CG 3.47Å; N676-E680 PolarHBondContact O-N 3.11Å; E680-L682 VanDerWaalsContact C-N 3.33Å; E680-L682 PolarHBondContact O-N 3.04Å; E680-R683 PolarHBondContact O-N 3.12Å; E680-R683 VanDerWaalsContact OE1-CD 3.27Å; E680-R683 WeakPolarHBondContact OE1-CD 3.21Å; E680-R683 IonicContact OE1-CZ 3.46Å; E680-R683 IonicContact OE1-NE 3.32Å; E680-R683 IonicContact OE1-NH1 3Å; E680-R683 PolarHBondContact OE1-NH1 3.2Å; E680-V684 WeakPolarHBondContact O-CG2 3.42Å; E680-V684 PolarHBondContact O-N 2.79Å |
| 681 | K | 75 | Confident | 70.8 | Confident | 49.6667 Ų | 49.6667 | 61.2 Ų | 61.2 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 171.8 | -111.3 | -173.9 | 174.3 | -177.1 | 0 | 113.5 | L611 C677 L678 V679 R683 N685 L708 | L611-K681 HydrophobicContact CB-CD 4.32Å; L611-K681 HydrophobicContact CD2-CD 4.1Å; L611-K681 WeakPolarHBondContact O-CD 3.38Å; L611-K681 WeakPolarHBondContact O-CE 3.35Å; L611-K681 PolarHBondContact O-NZ 3.06Å; C677-K681 VanDerWaalsContact O-CB 3.3Å; C677-K681 WeakPolarHBondContact O-CB 3.25Å; C677-K681 WeakPolarHBondContact O-CG 3.44Å; C677-K681 PolarHBondContact O-N 3.05Å; C677-K681 VanDerWaalsContact O-N 3.15Å; L678-K681 PolarHBondContact O-N 3.06Å; V679-K681 VanDerWaalsContact C-N 3.33Å; V679-K681 PolarHBondContact O-N 3.18Å; K681-R683 VanDerWaalsContact C-N 3.3Å; K681-N685 PolarHBondContact O-N 3.15Å; K681-N685 PolarHBondContact O-ND2 2.98Å; K681-N685 VanDerWaalsContact O-ND2 3.17Å; K681-L708 HydrophobicContact CD-CD1 3.93Å |
| 682 | L | 74.9 | Confident | 68.5 | Low | 15.3333 Ų | 15.3333 | 65.3 Ų | 65.3 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.4 | -32.5 | 178.3 | -72 | 174.4 | 0 | 0 | 0 | 112.2 | L678 V679 E680 W713 F799 I802 H806 V807 | L678-L682 WeakPolarHBondContact O-CB 3.23Å; L678-L682 VanDerWaalsContact O-CG 3.28Å; L678-L682 WeakPolarHBondContact O-CG 3.37Å; L678-L682 PolarHBondContact O-N 3.22Å; V679-L682 PolarHBondContact O-N 3.17Å; V679-L682 VanDerWaalsContact O-N 3.13Å; E680-L682 VanDerWaalsContact C-N 3.33Å; E680-L682 PolarHBondContact O-N 3.04Å; L682-W713 HydrophobicContact CD1-CH2 4.45Å; L682-W713 HydrophobicContact CD2-CH2 4.39Å; L682-W713 HydrophobicContact CD2-CZ2 4.31Å; L682-F799 HydrophobicContact CD1-CE2 4.14Å; L682-I802 HydrophobicContact CB-CG2 4.17Å; L682-I802 HydrophobicContact CD1-CG2 4.26Å; L682-H806 HydrophobicContact CB-CB 4.17Å; L682-H806 HydrophobicContact CD2-CB 4.36Å; L682-H806 PolarHBondContact O-ND1 2.87Å; L682-V807 HydrophobicContact CD1-CG2 4.14Å; L682-V807 HydrophobicContact CD2-CG2 3.45Å; L682-V807 VanDerWaalsContact CD2-CG2 3.48Å; L682-V807 HydrophobicContact CG-CG2 4.44Å |
| 683 | R | 72.7 | Confident | 66.3 | Low | 72.6667 Ų | 72.6667 | 72.1 Ų | 72.1 | 27% | 0.274 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.4 | -55.7 | 173.5 | -74.2 | 166.5 | 157.2 | -171.7 | -15.6 | 112.2 | V679 E680 K681 N685 Y686 D687 E837 | V679-R683 WeakPolarHBondContact O-CG 3.39Å; V679-R683 PolarHBondContact O-N 3.17Å; E680-R683 PolarHBondContact O-N 3.12Å; E680-R683 VanDerWaalsContact OE1-CD 3.27Å; E680-R683 WeakPolarHBondContact OE1-CD 3.21Å; E680-R683 IonicContact OE1-CZ 3.46Å; E680-R683 IonicContact OE1-NE 3.32Å; E680-R683 IonicContact OE1-NH1 3Å; E680-R683 PolarHBondContact OE1-NH1 3.2Å; K681-R683 VanDerWaalsContact C-N 3.3Å; R683-N685 PolarHBondContact O-N 3.08Å; R683-N685 VanDerWaalsContact O-N 3.15Å; R683-Y686 WeakPolarHBondContact O-CB 3.32Å; R683-Y686 PolarHBondContact O-N 3.01Å; R683-D687 PolarHBondContact O-N 2.91Å; R683-E837 IonicContact CZ-OE2 3.63Å; R683-E837 PolarHBondContact NH2-O 3.37Å; R683-E837 IonicContact NH2-OE2 3.65Å; R683-E837 PolarHBondContact NH2-OE2 3.16Å |
| 684 | V | 66.4 | Low | 64 | Low | 83.6667 Ų | 83.6667 | 79.9 Ų | 79.9 | 51% | 0.507 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.6 | -34.9 | -176.9 | 171.5 | 0 | 0 | 0 | 0 | 112.7 | E680 Y686 | E680-V684 WeakPolarHBondContact O-CG2 3.42Å; E680-V684 PolarHBondContact O-N 2.79Å; V684-Y686 PolarHBondContact O-N 2.99Å |
| 685 | N | 59.4 | Low | 61.6 | Low | 64.6667 Ų | 64.6667 | 84 Ų | 84 | 35% | 0.346 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -15.2 | 176.5 | -78.2 | -17.4 | 0 | 0 | 0 | 114.4 | K681 R683 Y706 | K681-N685 PolarHBondContact O-N 3.15Å; K681-N685 PolarHBondContact O-ND2 2.98Å; K681-N685 VanDerWaalsContact O-ND2 3.17Å; R683-N685 PolarHBondContact O-N 3.08Å; R683-N685 VanDerWaalsContact O-N 3.15Å; N685-Y706 PolarHBondContact ND2-O 2.98Å; N685-Y706 WeakPolarHBondContact OD1-CB 3.45Å |
| 686 | Y | 53.8 | Low | 59.3 | Low | 104 Ų | 104 | 89.3 Ų | 89.3 | 41% | 0.408 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -92.3 | -41.5 | -178.4 | -173.1 | -96.4 | 0 | 0 | 0 | 112.7 | R683 V684 L688 H689 Y690 H806 | R683-Y686 WeakPolarHBondContact O-CB 3.32Å; R683-Y686 PolarHBondContact O-N 3.01Å; V684-Y686 PolarHBondContact O-N 2.99Å; Y686-L688 VanDerWaalsContact C-N 3.28Å; Y686-L688 PolarHBondContact O-N 3.18Å; Y686-H689 WeakPolarHBondContact O-CA 3.44Å; Y686-H689 VanDerWaalsContact O-CB 3.3Å; Y686-H689 WeakPolarHBondContact O-CB 3.45Å; Y686-H689 PolarHBondContact O-N 3.2Å; Y686-Y690 AromaticContact CE1-CD2 3.91Å; Y686-Y690 HydrophobicContact CE1-CD2 3.95Å; Y686-Y690 HydrophobicContact CE1-CE2 4.2Å; Y686-Y690 AromaticContact CZ-CD2 3.95Å; Y686-Y690 AromaticContact CZ-CE2 3.85Å; Y686-Y690 PolarHBondContact O-N 2.92Å; Y686-Y690 VanDerWaalsContact OH-CE2 3.28Å; Y686-Y690 WeakPolarHBondContact OH-CE2 3.39Å; Y686-H806 AromaticContact CD2-ND1 3.76Å; Y686-H806 AromaticContact CG-CE1 3.83Å; Y686-H806 AromaticContact CG-ND1 3.78Å |
| 687 | D | 54.6 | Low | 56.9 | Low | 107.333 Ų | 107.333 | 95.5 Ų | 95.5 | 57% | 0.574 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.6 | -34.3 | -176.1 | -64.9 | -25.7 | 0 | 0 | 0 | 112.5 | R683 H689 Y690 | R683-D687 PolarHBondContact O-N 2.91Å; D687-H689 PolarHBondContact O-N 3.11Å; D687-Y690 PolarHBondContact O-N 3.32Å |
| 688 | L | 51.2 | Low | 54.5 | Low | 109 Ų | 109 | 99.5 Ų | 99.5 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.5 | -29.9 | 170.4 | -83 | 157.7 | 0 | 0 | 0 | 113 | Y686 | Y686-L688 VanDerWaalsContact C-N 3.28Å; Y686-L688 PolarHBondContact O-N 3.18Å |
| 689 | H | 47.5 | Very low | 52.2 | Low | 124.667 Ų | 124.667 | 108.4 Ų | 108.4 | 58% | 0.577 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -85.4 | -15.2 | -172 | -130.2 | -54.7 | 0 | 0 | 0 | 113.9 | Y686 D687 H693 | Y686-H689 WeakPolarHBondContact O-CA 3.44Å; Y686-H689 VanDerWaalsContact O-CB 3.3Å; Y686-H689 WeakPolarHBondContact O-CB 3.45Å; Y686-H689 PolarHBondContact O-N 3.2Å; D687-H689 PolarHBondContact O-N 3.11Å; H689-H693 AromaticContact CE1-NE2 3.73Å; H689-H693 AromaticContact ND1-CD2 3.87Å; H689-H693 AromaticContact ND1-NE2 3.39Å; H689-H693 PolarHBondContact ND1-NE2 3.36Å; H689-H693 PolarHBondContact O-CD2 3.11Å; H689-H693 VanDerWaalsContact O-CD2 3.26Å |
| 690 | Y | 44.6 | Very low | 49.7 | Very low | 174 Ų | 174 | 118.2 Ų | 118.2 | 68% | 0.682 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -93.9 | -19.1 | -177.6 | -117.1 | -93.3 | 0 | 0 | 0 | 114.5 | Y686 D687 | Y686-Y690 AromaticContact CE1-CD2 3.91Å; Y686-Y690 HydrophobicContact CE1-CD2 3.95Å; Y686-Y690 HydrophobicContact CE1-CE2 4.2Å; Y686-Y690 AromaticContact CZ-CD2 3.95Å; Y686-Y690 AromaticContact CZ-CE2 3.85Å; Y686-Y690 PolarHBondContact O-N 2.92Å; Y686-Y690 VanDerWaalsContact OH-CE2 3.28Å; Y686-Y690 WeakPolarHBondContact OH-CE2 3.39Å; D687-Y690 PolarHBondContact O-N 3.32Å |
| 691 | H | 42.6 | Very low | 47.2 | Very low | 173.333 Ų | 173.333 | 116.5 Ų | 116.5 | 80% | 0.802 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -97.5 | -25.6 | -174.7 | -90.6 | -55.5 | 0 | 0 | 0 | 116 | ||
| 692 | D | 40.5 | Very low | 44.9 | Very low | 85.6667 Ų | 85.6667 | 118.9 Ų | 118.9 | 46% | 0.458 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -93.2 | -5.4 | -171 | -96.5 | -17.6 | 0 | 0 | 0 | 115.7 | Q694 S695 | D692-Q694 PolarHBondContact O-N 3.1Å; D692-S695 PolarHBondContact O-N 2.88Å |
| 693 | H | 39.4 | Very low | 42.7 | Very low | 153.667 Ų | 153.667 | 126.6 Ų | 126.6 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 1.9 | -169.6 | -102.9 | -54.9 | 0 | 0 | 0 | 116.6 | H689 | H689-H693 AromaticContact CE1-NE2 3.73Å; H689-H693 AromaticContact ND1-CD2 3.87Å; H689-H693 AromaticContact ND1-NE2 3.39Å; H689-H693 PolarHBondContact ND1-NE2 3.36Å; H689-H693 PolarHBondContact O-CD2 3.11Å; H689-H693 VanDerWaalsContact O-CD2 3.26Å |
| 694 | Q | 38 | Very low | 41 | Very low | 198.333 Ų | 198.333 | 128 Ų | 128 | 93% | 0.927 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -2.8 | -177.5 | -110.7 | 177.2 | 1.8 | 0 | 0 | 116.3 | D692 | D692-Q694 PolarHBondContact O-N 3.1Š|
| 695 | S | 35.9 | Very low | 39.7 | Very low | 88.6667 Ų | 88.6667 | 130.7 Ų | 130.7 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | -20.1 | -170.6 | 108 | 0 | 0 | 0 | 0 | 117.6 | D692 | D692-S695 PolarHBondContact O-N 2.88Š|
| 696 | L | 35.3 | Very low | 39.2 | Very low | 113.333 Ų | 113.333 | 133.5 Ų | 133.5 | 59% | 0.593 | 68% | 0.675 | S | S | * | * | trans | -128 | 50.4 | -167.1 | -78.9 | 170.9 | 0 | 0 | 0 | 115.8 | S698 | L696-S698 WeakPolarHBondContact CD2-OG 3.21Å; L696-S698 PolarHBondContact O-N 3Å | ||
| 697 | L | 34.5 | Very low | 39.5 | Very low | 186.667 Ų | 186.667 | 136 Ų | 136 | 98% | 0.977 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 49.2 | 163.4 | -86.1 | 166.5 | 0 | 0 | 0 | 113 | ||
| 698 | S | 32.6 | Very low | 40.2 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.5 | 20.9 | 179.5 | 57.1 | 0 | 0 | 0 | 0 | 116.8 | L696 | L696-S698 WeakPolarHBondContact CD2-OG 3.21Å; L696-S698 PolarHBondContact O-N 3Å |
| 699 | K | 35.2 | Very low | 41.1 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 82% | 0.817 | 66% | 0.662 | S | S | * | * | trans | -146.4 | 105 | 167.2 | -86.4 | 174.8 | -179.1 | 176.1 | 0 | 112.7 | G701 | K699-G701 PolarHBondContact O-N 3.22Š| ||
| 700 | E | 29.4 | Very low | 42.2 | Very low | 211.333 Ų | 211.333 | 127.6 Ų | 127.6 | 99% | 0.988 | 66% | 0.656 | S | S | * | * | trans | -71.5 | 105.9 | 167.1 | -62 | 176.2 | 136.1 | 0 | 0 | 109.2 | ||||
| 701 | G | 28.1 | Very low | 43.7 | Very low | 47 Ų | 47 | 124.6 Ų | 124.6 | 49% | 0.485 | 65% | 0.651 | S | S | . | * | trans | -176.9 | 122.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K699 F703 | K699-G701 PolarHBondContact O-N 3.22Å; G701-F703 PolarHBondContact O-N 3.41Å | ||
| 702 | S | 27.1 | Very low | 45.5 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 70% | 0.699 | 62% | 0.623 | S | S | * | * | trans | 46.9 | 55.5 | 156.3 | 58.3 | 0 | 0 | 0 | 0 | 119.6 | S704 | S702-S704 PolarHBondContact O-N 3.4Š| ||
| 703 | F | 28.6 | Very low | 47.4 | Very low | 178.333 Ų | 178.333 | 115.6 Ų | 115.6 | 78% | 0.782 | 61% | 0.606 | S | S | * | * | trans | -101 | 31.6 | 169.7 | -92.9 | -84.4 | 0 | 0 | 0 | 113.9 | G701 | G701-F703 PolarHBondContact O-N 3.41Š| ||
| 704 | S | 37.3 | Very low | 49.4 | Very low | 100.667 Ų | 100.667 | 109.7 Ų | 109.7 | 70% | 0.704 | 58% | 0.584 | S | S | * | * | trans | -106.5 | -4 | -173.3 | 53.5 | 0 | 0 | 0 | 0 | 115.8 | S702 Y706 | S702-S704 PolarHBondContact O-N 3.4Å; S704-Y706 PolarHBondContact O-N 3.06Å | ||
| 705 | E | 39.1 | Very low | 51.5 | Low | 142 Ų | 142 | 101.2 Ų | 101.2 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -91.4 | -11.2 | -165.7 | -62 | -170.2 | 138.3 | 0 | 0 | 115.4 | K707 | E705-K707 VanDerWaalsContact C-N 3.3Å; E705-K707 PolarHBondContact O-N 2.99Å |
| 706 | Y | 48.2 | Very low | 53.8 | Low | 122.333 Ų | 122.333 | 97.2 Ų | 97.2 | 48% | 0.48 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -100.1 | 23 | -169 | -62.6 | -83.2 | 0 | 0 | 0 | 115.1 | P615 N685 S704 | P615-Y706 HydrophobicContact CG-CD1 4.38Å; P615-Y706 HydrophobicContact CG-CE1 3.83Å; N685-Y706 PolarHBondContact ND2-O 2.98Å; N685-Y706 WeakPolarHBondContact OD1-CB 3.45Å; S704-Y706 PolarHBondContact O-N 3.06Å |
| 707 | K | 59.1 | Low | 56.2 | Low | 157 Ų | 157 | 92 Ų | 92 | 68% | 0.683 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -123.7 | 122.3 | -178.6 | -165.9 | 167.7 | -173.4 | 168.6 | 0 | 111 | E705 T709 | E705-K707 VanDerWaalsContact C-N 3.3Å; E705-K707 PolarHBondContact O-N 2.99Å; K707-T709 PolarHBondContact O-N 3.16Å |
| 708 | L | 69.8 | Low | 58.5 | Low | 27.6667 Ų | 27.6667 | 86.7 Ų | 86.7 | 15% | 0.145 | 46% | 0.463 | C | S | . | . | trans | -51.9 | 131.7 | 171.7 | -102.3 | 75.2 | 0 | 0 | 0 | 109.7 | F640 L678 K681 E712 W713 I716 | F640-L708 HydrophobicContact CE1-CD2 4.47Å; L678-L708 HydrophobicContact CD2-CD2 4.39Å; K681-L708 HydrophobicContact CD-CD1 3.93Å; L708-E712 HydrophobicContact CB-CB 4.48Å; L708-E712 HydrophobicContact CD2-CB 4.3Å; L708-E712 HydrophobicContact CG-CB 4.26Å; L708-W713 HydrophobicContact CB-CD2 4.39Å; L708-W713 HydrophobicContact CB-CG 4.3Å; L708-W713 HydrophobicContact CB-CZ2 4.38Å; L708-W713 VanDerWaalsContact CB-NE1 3.29Å; L708-W713 HydrophobicContact CD2-CD2 4.09Å; L708-W713 HydrophobicContact CD2-CE3 4.43Å; L708-W713 HydrophobicContact CD2-CG 4.42Å; L708-W713 HydrophobicContact CD2-CZ2 4.35Å; L708-I716 HydrophobicContact CD2-CD1 3.51Å | ||
| 709 | T | 71.1 | Confident | 61 | Low | 72 Ų | 72 | 82.2 Ų | 82.2 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | trans | -68.8 | 156.5 | 177.1 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | K707 L711 E712 W713 | K707-T709 PolarHBondContact O-N 3.16Å; T709-L711 PolarHBondContact O-N 3.18Å; T709-L711 VanDerWaalsContact O-N 3.11Å; T709-E712 VanDerWaalsContact CB-OE2 3.32Å; T709-E712 WeakPolarHBondContact CB-OE2 3.29Å; T709-E712 WeakPolarHBondContact CG2-OE2 3.42Å; T709-E712 PolarHBondContact N-OE2 2.87Å; T709-E712 PolarHBondContact O-N 3.29Å; T709-E712 VanDerWaalsContact O-N 3.07Å; T709-E712 VanDerWaalsContact OG1-CD 3.28Å; T709-E712 VanDerWaalsContact OG1-CG 3.26Å; T709-E712 WeakPolarHBondContact OG1-CG 3.47Å; T709-E712 PolarHBondContact OG1-N 3.28Å; T709-E712 PolarHBondContact OG1-OE2 3.12Å; T709-W713 PolarHBondContact O-N 3.2Å; T709-W713 VanDerWaalsContact O-N 3.1Å | ||
| 710 | S | 71 | Confident | 63.5 | Low | 64 Ų | 64 | 73.3 Ų | 73.3 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56 | -31.6 | 177.1 | -177 | 0 | 0 | 0 | 0 | 112.8 | A714 S885 | S710-A714 WeakPolarHBondContact O-CB 3.34Å; S710-A714 PolarHBondContact O-N 3.39Å; S710-S885 VanDerWaalsContact OG-CB 3.24Å; S710-S885 WeakPolarHBondContact OG-CB 3.4Å |
| 711 | L | 76 | Confident | 66.2 | Low | 111.333 Ų | 111.333 | 65.1 Ų | 65.1 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -72.5 | -36.5 | 177.5 | -174.8 | 62.4 | 0 | 0 | 0 | 112.5 | N641 T709 A714 S715 | N641-L711 PolarHBondContact OD1-O 3.35Å; T709-L711 PolarHBondContact O-N 3.18Å; T709-L711 VanDerWaalsContact O-N 3.11Å; L711-A714 PolarHBondContact O-N 3.25Å; L711-S715 VanDerWaalsContact O-CB 3.3Å; L711-S715 WeakPolarHBondContact O-CB 3.31Å; L711-S715 PolarHBondContact O-N 3.05Å; L711-S715 PolarHBondContact O-OG 3.16Å |
| 712 | E | 79.8 | Confident | 69 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70 | -42 | 176.7 | -68.9 | 165.9 | 129.9 | 0 | 0 | 111.4 | F640 N641 L708 T709 S715 I716 | F640-E712 HydrophobicContact CD1-CB 3.8Å; F640-E712 HydrophobicContact CD1-CG 3.89Å; F640-E712 HydrophobicContact CE1-CB 4.09Å; N641-E712 WeakPolarHBondContact OD1-CA 3.2Å; N641-E712 VanDerWaalsContact OD1-CG 3.24Å; N641-E712 WeakPolarHBondContact OD1-CG 3.3Å; N641-E712 PolarHBondContact OD1-N 3.21Å; L708-E712 HydrophobicContact CB-CB 4.48Å; L708-E712 HydrophobicContact CD2-CB 4.3Å; L708-E712 HydrophobicContact CG-CB 4.26Å; T709-E712 VanDerWaalsContact CB-OE2 3.32Å; T709-E712 WeakPolarHBondContact CB-OE2 3.29Å; T709-E712 WeakPolarHBondContact CG2-OE2 3.42Å; T709-E712 PolarHBondContact N-OE2 2.87Å; T709-E712 PolarHBondContact O-N 3.29Å; T709-E712 VanDerWaalsContact O-N 3.07Å; T709-E712 VanDerWaalsContact OG1-CD 3.28Å; T709-E712 VanDerWaalsContact OG1-CG 3.26Å; T709-E712 WeakPolarHBondContact OG1-CG 3.47Å; T709-E712 PolarHBondContact OG1-N 3.28Å; T709-E712 PolarHBondContact OG1-OE2 3.12Å; E712-S715 PolarHBondContact O-N 2.88Å; E712-I716 WeakPolarHBondContact O-CD1 3.35Å; E712-I716 WeakPolarHBondContact O-CG1 3.38Å; E712-I716 WeakPolarHBondContact O-CG2 3.09Å; E712-I716 PolarHBondContact O-N 2.93Å |
| 713 | W | 80.9 | Confident | 71.8 | Confident | 22.6667 Ų | 22.6667 | 58.7 Ų | 58.7 | 9% | 0.086 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 171.3 | -79.8 | 115.4 | 0 | 0 | 0 | 112.4 | L678 L682 L708 T709 S715 I716 I717 F799 F803 V807 L889 | L678-W713 HydrophobicContact CD1-CZ3 4.36Å; L678-W713 HydrophobicContact CD2-CH2 4.18Å; L678-W713 HydrophobicContact CD2-CZ3 4.12Å; L682-W713 HydrophobicContact CD1-CH2 4.45Å; L682-W713 HydrophobicContact CD2-CH2 4.39Å; L682-W713 HydrophobicContact CD2-CZ2 4.31Å; L708-W713 HydrophobicContact CB-CD2 4.39Å; L708-W713 HydrophobicContact CB-CG 4.3Å; L708-W713 HydrophobicContact CB-CZ2 4.38Å; L708-W713 VanDerWaalsContact CB-NE1 3.29Å; L708-W713 HydrophobicContact CD2-CD2 4.09Å; L708-W713 HydrophobicContact CD2-CE3 4.43Å; L708-W713 HydrophobicContact CD2-CG 4.42Å; L708-W713 HydrophobicContact CD2-CZ2 4.35Å; T709-W713 PolarHBondContact O-N 3.2Å; T709-W713 VanDerWaalsContact O-N 3.1Å; W713-S715 VanDerWaalsContact C-N 3.29Å; W713-S715 PolarHBondContact O-N 3.09Å; W713-I716 HydrophobicContact CE3-CD1 4.27Å; W713-I716 HydrophobicContact CE3-CG2 4.29Å; W713-I716 WeakPolarHBondContact O-CG2 3.09Å; W713-I716 PolarHBondContact O-N 3.29Å; W713-I717 WeakPolarHBondContact O-CB 3.35Å; W713-I717 VanDerWaalsContact O-CG1 3.26Å; W713-I717 WeakPolarHBondContact O-CG1 3.41Å; W713-I717 PolarHBondContact O-N 2.99Å; W713-I717 VanDerWaalsContact O-N 3.07Å; W713-F799 HydrophobicContact CZ3-CE2 4.43Å; W713-F799 HydrophobicContact CZ3-CZ 4.12Å; W713-F803 HydrophobicContact CH2-CD2 4.45Å; W713-F803 HydrophobicContact CZ3-CD2 4.47Å; W713-F803 HydrophobicContact CZ3-CE2 4.46Å; W713-V807 HydrophobicContact CZ2-CG2 4.48Å; W713-L889 HydrophobicContact CB-CD1 3.5Å; W713-L889 VanDerWaalsContact CB-CD1 3.46Å; W713-L889 HydrophobicContact CB-CD2 3.59Å; W713-L889 HydrophobicContact CB-CG 4.19Å; W713-L889 HydrophobicContact CD2-CD1 4.42Å; W713-L889 HydrophobicContact CG-CD1 3.73Å |
| 714 | A | 81.3 | Confident | 74.6 | Confident | 30.3333 Ų | 30.3333 | 50.2 Ų | 50.2 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S710 L711 I717 N718 | S710-A714 WeakPolarHBondContact O-CB 3.34Å; S710-A714 PolarHBondContact O-N 3.39Å; L711-A714 PolarHBondContact O-N 3.25Å; A714-I717 PolarHBondContact O-N 3.16Å; A714-N718 VanDerWaalsContact O-CB 3.25Å; A714-N718 WeakPolarHBondContact O-CB 3.32Å; A714-N718 PolarHBondContact O-N 3.02Å; A714-N718 PolarHBondContact O-ND2 3.04Å; A714-N718 VanDerWaalsContact O-ND2 3.16Å |
| 715 | S | 80.8 | Confident | 77 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 13% | 0.133 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | N641 C644 L711 E712 W713 C719 | N641-S715 PolarHBondContact OD1-OG 3.34Å; N641-S715 VanDerWaalsContact OD1-OG 3.09Å; C644-S715 WeakPolarHBondContact CB-O 3.37Å; L711-S715 VanDerWaalsContact O-CB 3.3Å; L711-S715 WeakPolarHBondContact O-CB 3.31Å; L711-S715 PolarHBondContact O-N 3.05Å; L711-S715 PolarHBondContact O-OG 3.16Å; E712-S715 PolarHBondContact O-N 2.88Å; W713-S715 VanDerWaalsContact C-N 3.29Å; W713-S715 PolarHBondContact O-N 3.09Å; S715-C719 WeakPolarHBondContact O-CB 3.34Å; S715-C719 PolarHBondContact O-N 2.97Å; S715-C719 VanDerWaalsContact O-N 3.1Å |
| 716 | I | 84.9 | Confident | 79.1 | Confident | 4.66667 Ų | 4.66667 | 43.3 Ų | 43.3 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -47.5 | 172.6 | -99.4 | 156.3 | 0 | 0 | 0 | 111 | F640 L674 L678 L708 E712 W713 N718 C719 L720 | F640-I716 HydrophobicContact CE1-CB 3.96Å; F640-I716 HydrophobicContact CE1-CD1 3.46Å; F640-I716 VanDerWaalsContact CE1-CD1 3.46Å; F640-I716 HydrophobicContact CE1-CG1 3.36Å; F640-I716 HydrophobicContact CE1-CG2 4.4Å; F640-I716 HydrophobicContact CZ-CB 3.83Å; F640-I716 HydrophobicContact CZ-CD1 3.65Å; F640-I716 HydrophobicContact CZ-CG1 3.67Å; F640-I716 HydrophobicContact CZ-CG2 4.43Å; L674-I716 HydrophobicContact CD2-CD1 4.1Å; L678-I716 HydrophobicContact CD1-CD1 4.15Å; L678-I716 HydrophobicContact CD1-CG1 4.49Å; L678-I716 HydrophobicContact CD1-CG2 3.89Å; L678-I716 HydrophobicContact CD2-CD1 3.93Å; L678-I716 HydrophobicContact CG-CD1 4.17Å; L708-I716 HydrophobicContact CD2-CD1 3.51Å; E712-I716 WeakPolarHBondContact O-CD1 3.35Å; E712-I716 WeakPolarHBondContact O-CG1 3.38Å; E712-I716 WeakPolarHBondContact O-CG2 3.09Å; E712-I716 PolarHBondContact O-N 2.93Å; W713-I716 HydrophobicContact CE3-CD1 4.27Å; W713-I716 HydrophobicContact CE3-CG2 4.29Å; W713-I716 WeakPolarHBondContact O-CG2 3.09Å; W713-I716 PolarHBondContact O-N 3.29Å; I716-N718 VanDerWaalsContact C-N 3.34Å; I716-N718 PolarHBondContact O-N 3.07Å; I716-C719 CarbonylContact O-C 3.59Å; I716-C719 WeakPolarHBondContact O-CA 3.47Å; I716-C719 VanDerWaalsContact O-CB 3.27Å; I716-C719 WeakPolarHBondContact O-CB 3.42Å; I716-C719 PolarHBondContact O-N 3.07Å; I716-L720 HydrophobicContact CG1-CD1 3.91Å; I716-L720 HydrophobicContact CG1-CG 4.22Å; I716-L720 HydrophobicContact CG2-CD1 3.66Å; I716-L720 HydrophobicContact CG2-CG 4.16Å; I716-L720 WeakPolarHBondContact O-CB 3.31Å; I716-L720 WeakPolarHBondContact O-CG 3.3Å; I716-L720 PolarHBondContact O-N 2.99Å |
| 717 | I | 84.8 | Confident | 80.8 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.7 | -38.7 | -174.1 | -65.6 | -155 | 0 | 0 | 0 | 110.6 | W713 A714 C719 L720 D721 L889 Q892 I893 L896 | W713-I717 WeakPolarHBondContact O-CB 3.35Å; W713-I717 VanDerWaalsContact O-CG1 3.26Å; W713-I717 WeakPolarHBondContact O-CG1 3.41Å; W713-I717 PolarHBondContact O-N 2.99Å; W713-I717 VanDerWaalsContact O-N 3.07Å; A714-I717 PolarHBondContact O-N 3.16Å; I717-C719 VanDerWaalsContact C-N 3.31Å; I717-C719 PolarHBondContact O-N 3.14Å; I717-L720 HydrophobicContact CD1-CD1 4.35Å; I717-L720 PolarHBondContact O-N 3.31Å; I717-D721 VanDerWaalsContact O-CB 3.26Å; I717-D721 WeakPolarHBondContact O-CB 3.46Å; I717-D721 PolarHBondContact O-N 3.12Å; I717-L889 HydrophobicContact CD1-CB 4.27Å; I717-L889 HydrophobicContact CD1-CD2 3.62Å; I717-L889 HydrophobicContact CG1-CD2 4.13Å; I717-Q892 HydrophobicContact CD1-CB 4.49Å; I717-Q892 HydrophobicContact CG2-CB 3.61Å; I717-Q892 HydrophobicContact CG2-CG 4.44Å; I717-Q892 VanDerWaalsContact CG2-OE1 3.25Å; I717-I893 HydrophobicContact CD1-CD1 4.31Å; I717-I893 HydrophobicContact CD1-CG1 3.82Å; I717-L896 HydrophobicContact CG2-CD1 3.93Å |
| 718 | N | 84.1 | Confident | 82 | Confident | 76 Ų | 76 | 33.8 Ų | 33.8 | 41% | 0.406 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.1 | -33.8 | 171.2 | -98.1 | 7.9 | 0 | 0 | 0 | 112.8 | H648 A714 I716 D721 T722 | H648-N718 PolarHBondContact CD2-ND2 2.94Å; H648-N718 PolarHBondContact NE2-ND2 2.69Å; H648-N718 VanDerWaalsContact NE2-ND2 3.14Å; A714-N718 VanDerWaalsContact O-CB 3.25Å; A714-N718 WeakPolarHBondContact O-CB 3.32Å; A714-N718 PolarHBondContact O-N 3.02Å; A714-N718 PolarHBondContact O-ND2 3.04Å; A714-N718 VanDerWaalsContact O-ND2 3.16Å; I716-N718 VanDerWaalsContact C-N 3.34Å; I716-N718 PolarHBondContact O-N 3.07Å; N718-D721 WeakPolarHBondContact O-CB 3.34Å; N718-D721 PolarHBondContact O-N 3Å; N718-T722 PolarHBondContact O-N 3.23Å; N718-T722 VanDerWaalsContact O-N 3.15Å; N718-T722 PolarHBondContact O-OG1 2.97Å; N718-T722 VanDerWaalsContact O-OG1 3.1Å |
| 719 | C | 85.7 | Confident | 82.6 | Confident | 1.66667 Ų | 1.66667 | 35.8 Ų | 35.8 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -48.7 | 172.8 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | C644 S715 I716 I717 D721 T722 I723 | C644-C719 HydrophobicContact CB-CB 4.38Å; S715-C719 WeakPolarHBondContact O-CB 3.34Å; S715-C719 PolarHBondContact O-N 2.97Å; S715-C719 VanDerWaalsContact O-N 3.1Å; I716-C719 CarbonylContact O-C 3.59Å; I716-C719 WeakPolarHBondContact O-CA 3.47Å; I716-C719 VanDerWaalsContact O-CB 3.27Å; I716-C719 WeakPolarHBondContact O-CB 3.42Å; I716-C719 PolarHBondContact O-N 3.07Å; I717-C719 VanDerWaalsContact C-N 3.31Å; I717-C719 PolarHBondContact O-N 3.14Å; C719-D721 VanDerWaalsContact C-N 3.31Å; C719-D721 PolarHBondContact O-N 3.24Å; C719-T722 WeakPolarHBondContact O-CB 3.43Å; C719-T722 PolarHBondContact O-N 3.39Å; C719-T722 PolarHBondContact O-OG1 3.12Å; C719-I723 WeakPolarHBondContact O-CD1 3.47Å; C719-I723 VanDerWaalsContact O-CG1 3.29Å; C719-I723 WeakPolarHBondContact O-CG1 3.33Å; C719-I723 PolarHBondContact O-N 3.12Å; C719-I723 VanDerWaalsContact O-N 3.1Å |
| 720 | L | 87.3 | Confident | 83.1 | Confident | 1.33333 Ų | 1.33333 | 34.4 Ų | 34.4 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 176.8 | -69.3 | 170.4 | 0 | 0 | 0 | 112 | I671 L674 I716 I717 T722 I723 V724 F796 L896 | I671-L720 HydrophobicContact CG1-CD2 4.19Å; L674-L720 HydrophobicContact CB-CD2 4.27Å; L674-L720 HydrophobicContact CD1-CD2 3.86Å; I716-L720 HydrophobicContact CG1-CD1 3.91Å; I716-L720 HydrophobicContact CG1-CG 4.22Å; I716-L720 HydrophobicContact CG2-CD1 3.66Å; I716-L720 HydrophobicContact CG2-CG 4.16Å; I716-L720 WeakPolarHBondContact O-CB 3.31Å; I716-L720 WeakPolarHBondContact O-CG 3.3Å; I716-L720 PolarHBondContact O-N 2.99Å; I717-L720 HydrophobicContact CD1-CD1 4.35Å; I717-L720 PolarHBondContact O-N 3.31Å; L720-T722 VanDerWaalsContact C-N 3.35Å; L720-T722 PolarHBondContact O-N 3.21Å; L720-I723 PolarHBondContact O-N 3.38Å; L720-I723 VanDerWaalsContact O-N 3.15Å; L720-V724 WeakPolarHBondContact O-CB 3.36Å; L720-V724 VanDerWaalsContact O-CG2 3.27Å; L720-V724 WeakPolarHBondContact O-CG2 3.38Å; L720-V724 PolarHBondContact O-N 2.9Å; L720-F796 HydrophobicContact CD1-CE2 4.17Å; L720-L896 HydrophobicContact CB-CD1 4.18Å |
| 721 | D | 86.5 | Confident | 83.4 | Confident | 37.3333 Ų | 37.3333 | 31.4 Ų | 31.4 | 20% | 0.2 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.9 | -47.9 | 173.4 | -167.9 | 47.3 | 0 | 0 | 0 | 111.9 | I717 N718 C719 I723 V724 H725 R895 L896 | I717-D721 VanDerWaalsContact O-CB 3.26Å; I717-D721 WeakPolarHBondContact O-CB 3.46Å; I717-D721 PolarHBondContact O-N 3.12Å; N718-D721 WeakPolarHBondContact O-CB 3.34Å; N718-D721 PolarHBondContact O-N 3Å; C719-D721 VanDerWaalsContact C-N 3.31Å; C719-D721 PolarHBondContact O-N 3.24Å; D721-I723 VanDerWaalsContact C-N 3.31Å; D721-I723 PolarHBondContact O-N 3.22Å; D721-V724 PolarHBondContact O-N 3.41Å; D721-H725 WeakPolarHBondContact O-CB 3.33Å; D721-H725 PolarHBondContact O-N 2.98Å; D721-R895 IonicContact OD1-CZ 3.03Å; D721-R895 VanDerWaalsContact OD1-CZ 3.29Å; D721-R895 IonicContact OD1-NH1 3.1Å; D721-R895 PolarHBondContact OD1-NH1 3.31Å; D721-R895 IonicContact OD1-NH2 3.32Å; D721-R895 PolarHBondContact OD1-NH2 3.35Å; D721-R895 IonicContact OD2-CZ 3Å; D721-R895 IonicContact OD2-NH1 2.86Å; D721-R895 IonicContact OD2-NH2 3.51Å; D721-R895 PolarHBondContact OD2-NH2 3.02Å; D721-L896 HydrophobicContact CB-CD2 3.92Å; D721-L896 VanDerWaalsContact OD1-CD2 3.31Å; D721-L896 WeakPolarHBondContact OD1-CD2 3.39Å |
| 722 | T | 85.7 | Confident | 83.5 | Confident | 12.6667 Ų | 12.6667 | 28.9 Ų | 28.9 | 8% | 0.078 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 175.7 | 25.7 | 0 | 0 | 0 | 0 | 112.8 | H648 L651 N652 N718 C719 L720 H725 H726 | H648-T722 WeakPolarHBondContact CD2-CG2 3.48Å; H648-T722 PolarHBondContact CD2-OG1 3.4Å; H648-T722 WeakPolarHBondContact NE2-CG2 3.48Å; L651-T722 HydrophobicContact CB-CG2 3.61Å; L651-T722 HydrophobicContact CD1-CG2 3.75Å; L651-T722 HydrophobicContact CG-CG2 4.33Å; N652-T722 VanDerWaalsContact ND2-CG2 3.27Å; N652-T722 WeakPolarHBondContact ND2-CG2 3.39Å; N718-T722 PolarHBondContact O-N 3.23Å; N718-T722 VanDerWaalsContact O-N 3.15Å; N718-T722 PolarHBondContact O-OG1 2.97Å; N718-T722 VanDerWaalsContact O-OG1 3.1Å; C719-T722 WeakPolarHBondContact O-CB 3.43Å; C719-T722 PolarHBondContact O-N 3.39Å; C719-T722 PolarHBondContact O-OG1 3.12Å; L720-T722 VanDerWaalsContact C-N 3.35Å; L720-T722 PolarHBondContact O-N 3.21Å; T722-H725 WeakPolarHBondContact O-CB 3.41Å; T722-H725 PolarHBondContact O-N 3.21Å; T722-H726 PolarHBondContact O-CD2 3.17Å; T722-H726 VanDerWaalsContact O-CD2 3.23Å; T722-H726 PolarHBondContact O-N 3.3Å |
| 723 | I | 87.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.2 | -43.9 | 178.6 | -60.1 | 162.1 | 0 | 0 | 0 | 110.6 | L651 L667 L670 I671 L674 C719 L720 D721 H725 H726 I727 | L651-I723 HydrophobicContact CD1-CD1 4.48Å; L651-I723 HydrophobicContact CD1-CG1 3.66Å; L667-I723 HydrophobicContact CB-CG2 3.83Å; L667-I723 HydrophobicContact CD1-CG2 4.31Å; L667-I723 HydrophobicContact CD2-CG2 4.09Å; L667-I723 HydrophobicContact CG-CG2 4.27Å; L670-I723 HydrophobicContact CD2-CD1 3.93Å; L670-I723 HydrophobicContact CG-CD1 4.39Å; I671-I723 HydrophobicContact CD1-CB 4.29Å; I671-I723 HydrophobicContact CD1-CG2 3.78Å; I671-I723 HydrophobicContact CG1-CB 4.28Å; I671-I723 HydrophobicContact CG1-CG2 3.63Å; L674-I723 HydrophobicContact CD1-CD1 4.28Å; C719-I723 WeakPolarHBondContact O-CD1 3.47Å; C719-I723 VanDerWaalsContact O-CG1 3.29Å; C719-I723 WeakPolarHBondContact O-CG1 3.33Å; C719-I723 PolarHBondContact O-N 3.12Å; C719-I723 VanDerWaalsContact O-N 3.1Å; L720-I723 PolarHBondContact O-N 3.38Å; L720-I723 VanDerWaalsContact O-N 3.15Å; D721-I723 VanDerWaalsContact C-N 3.31Å; D721-I723 PolarHBondContact O-N 3.22Å; I723-H725 VanDerWaalsContact C-N 3.31Å; I723-H725 PolarHBondContact O-N 3.36Å; I723-H726 PolarHBondContact O-N 3.15Å; I723-I727 HydrophobicContact CG2-CD1 3.91Å; I723-I727 WeakPolarHBondContact O-CG1 3.39Å; I723-I727 PolarHBondContact O-N 2.94Å; I723-I727 VanDerWaalsContact O-N 3.09Å |
| 724 | V | 86.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 174.9 | 167 | 0 | 0 | 0 | 0 | 111.2 | I671 L720 D721 H726 I727 R728 L896 E899 M900 F903 | I671-V724 HydrophobicContact CD1-CG2 3.65Å; L720-V724 WeakPolarHBondContact O-CB 3.36Å; L720-V724 VanDerWaalsContact O-CG2 3.27Å; L720-V724 WeakPolarHBondContact O-CG2 3.38Å; L720-V724 PolarHBondContact O-N 2.9Å; D721-V724 PolarHBondContact O-N 3.41Å; V724-H726 PolarHBondContact O-N 3.26Å; V724-I727 PolarHBondContact O-N 3.31Å; V724-R728 WeakPolarHBondContact O-CB 3.37Å; V724-R728 PolarHBondContact O-N 3.43Å; V724-L896 HydrophobicContact CB-CD2 4.4Å; V724-L896 HydrophobicContact CG1-CD2 4.28Å; V724-L896 HydrophobicContact CG2-CD2 4.39Å; V724-E899 HydrophobicContact CG1-CB 4.35Å; V724-E899 HydrophobicContact CG1-CG 3.99Å; V724-M900 HydrophobicContact CB-CG 4.47Å; V724-M900 HydrophobicContact CG1-CG 4.04Å; V724-M900 HydrophobicContact CG2-CE 3.69Å; V724-M900 HydrophobicContact CG2-CG 4.14Å; V724-M900 HydrophobicContact CG2-SD 3.89Å; V724-F903 HydrophobicContact CG1-CE1 4.33Å; V724-F903 HydrophobicContact CG1-CZ 4.17Å |
| 725 | H | 86.4 | Confident | 82.5 | Confident | 81.3333 Ų | 81.3333 | 30.3 Ų | 30.3 | 38% | 0.377 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 176.5 | -167 | -81 | 0 | 0 | 0 | 112.2 | D721 T722 I723 I727 R728 E729 | D721-H725 WeakPolarHBondContact O-CB 3.33Å; D721-H725 PolarHBondContact O-N 2.98Å; T722-H725 WeakPolarHBondContact O-CB 3.41Å; T722-H725 PolarHBondContact O-N 3.21Å; I723-H725 VanDerWaalsContact C-N 3.31Å; I723-H725 PolarHBondContact O-N 3.36Å; H725-I727 VanDerWaalsContact C-N 3.35Å; H725-I727 PolarHBondContact O-N 2.88Å; H725-R728 PolarHBondContact CD2-NH2 3.06Å; H725-R728 PolarHBondContact NE2-NH2 3.29Å; H725-R728 WeakPolarHBondContact O-CB 3.27Å; H725-R728 PolarHBondContact O-N 3.09Å; H725-E729 IonicContact CE1-OE1 3.33Å; H725-E729 PolarHBondContact CE1-OE1 3.1Å; H725-E729 IonicContact ND1-OE1 2.98Å; H725-E729 PolarHBondContact ND1-OE1 3.18Å; H725-E729 VanDerWaalsContact ND1-OE1 3.14Å; H725-E729 IonicContact ND1-OE2 3.66Å; H725-E729 WeakPolarHBondContact O-CG 3.43Å; H725-E729 PolarHBondContact O-N 3.22Å |
| 726 | H | 84.4 | Confident | 82.1 | Confident | 16.3333 Ų | 16.3333 | 34.2 Ų | 34.2 | 8% | 0.076 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.5 | -34.2 | 178.1 | -70.4 | -56.5 | 0 | 0 | 0 | 113.4 | L651 D657 R663 L667 T722 I723 V724 R728 E729 Y730 | L651-H726 PolarHBondContact O-NE2 2.97Å; D657-H726 IonicContact OD2-CE1 2.66Å; D657-H726 IonicContact OD2-ND1 3.42Å; D657-H726 PolarHBondContact OD2-ND1 3.08Å; R663-H726 WeakPolarHBondContact CD-O 3.44Å; R663-H726 HydrophobicContact CG-CB 4.33Å; L667-H726 HydrophobicContact CD1-CB 3.86Å; T722-H726 PolarHBondContact O-CD2 3.17Å; T722-H726 VanDerWaalsContact O-CD2 3.23Å; T722-H726 PolarHBondContact O-N 3.3Å; I723-H726 PolarHBondContact O-N 3.15Å; V724-H726 PolarHBondContact O-N 3.26Å; H726-R728 VanDerWaalsContact C-N 3.31Å; H726-E729 IonicContact CE1-OE2 3.5Å; H726-E729 IonicContact CG-OE2 2.71Å; H726-E729 IonicContact ND1-OE2 3.31Å; H726-E729 PolarHBondContact ND1-OE2 3.06Å; H726-Y730 WeakPolarHBondContact O-CB 3.22Å; H726-Y730 PolarHBondContact O-N 3.23Å |
| 727 | I | 84.3 | Confident | 81.3 | Confident | 2.66667 Ų | 2.66667 | 40.8 Ų | 40.8 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 172.6 | -65.7 | 165.4 | 0 | 0 | 0 | 110.3 | L667 P668 I671 I723 V724 H725 Y730 A731 I789 F903 | L667-I727 HydrophobicContact CB-CD1 4.13Å; L667-I727 HydrophobicContact CB-CG1 3.99Å; P668-I727 HydrophobicContact CB-CD1 4.46Å; P668-I727 HydrophobicContact CG-CD1 3.95Å; P668-I727 HydrophobicContact CG-CG1 4.14Å; P668-I727 HydrophobicContact CG-CG2 4.43Å; I671-I727 HydrophobicContact CD1-CD1 3.56Å; I671-I727 HydrophobicContact CG1-CD1 4.27Å; I723-I727 HydrophobicContact CG2-CD1 3.91Å; I723-I727 WeakPolarHBondContact O-CG1 3.39Å; I723-I727 PolarHBondContact O-N 2.94Å; I723-I727 VanDerWaalsContact O-N 3.09Å; V724-I727 PolarHBondContact O-N 3.31Å; H725-I727 VanDerWaalsContact C-N 3.35Å; H725-I727 PolarHBondContact O-N 2.88Å; I727-Y730 PolarHBondContact O-N 3.17Å; I727-A731 WeakPolarHBondContact O-CB 3.44Å; I727-A731 PolarHBondContact O-N 2.91Å; I727-I789 HydrophobicContact CG2-CD1 4.31Å; I727-I789 HydrophobicContact CG2-CG1 4.09Å; I727-I789 HydrophobicContact CG2-CG2 4.09Å; I727-F903 HydrophobicContact CB-CE2 4.31Å; I727-F903 HydrophobicContact CB-CZ 4.33Å; I727-F903 HydrophobicContact CG2-CD2 4.37Å; I727-F903 HydrophobicContact CG2-CE2 3.67Å; I727-F903 HydrophobicContact CG2-CZ 3.91Å |
| 728 | R | 83.5 | Confident | 80.2 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 29% | 0.291 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.7 | -171.7 | 178.8 | 138.5 | -147.7 | -11.6 | 112.1 | V724 H725 H726 Y730 A731 V732 E899 S902 F903 | V724-R728 WeakPolarHBondContact O-CB 3.37Å; V724-R728 PolarHBondContact O-N 3.43Å; H725-R728 PolarHBondContact CD2-NH2 3.06Å; H725-R728 PolarHBondContact NE2-NH2 3.29Å; H725-R728 WeakPolarHBondContact O-CB 3.27Å; H725-R728 PolarHBondContact O-N 3.09Å; H726-R728 VanDerWaalsContact C-N 3.31Å; R728-Y730 VanDerWaalsContact C-N 3.28Å; R728-Y730 PolarHBondContact O-N 3.27Å; R728-A731 PolarHBondContact O-N 3.24Å; R728-V732 WeakPolarHBondContact O-CG2 3.37Å; R728-V732 PolarHBondContact O-N 3.06Å; R728-E899 VanDerWaalsContact CD-OE1 3.32Å; R728-E899 WeakPolarHBondContact CD-OE1 3.26Å; R728-E899 IonicContact CZ-OE1 3.2Å; R728-E899 IonicContact NE-OE1 2.66Å; R728-E899 IonicContact NH1-OE1 2.91Å; R728-E899 PolarHBondContact NH1-OE1 3.17Å; R728-E899 IonicContact NH2-OE1 2.8Å; R728-S902 PolarHBondContact NE-OG 3.27Å; R728-F903 HydrophobicContact CB-CD1 4.07Å; R728-F903 HydrophobicContact CB-CE1 3.63Å; R728-F903 HydrophobicContact CB-CZ 4.2Å; R728-F903 HydrophobicContact CG-CD1 4.03Å; R728-F903 HydrophobicContact CG-CE1 4.02Å |
| 729 | E | 82.3 | Confident | 78.9 | Confident | 71.3333 Ų | 71.3333 | 43.7 Ų | 43.7 | 33% | 0.333 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.6 | -45.7 | 174.1 | -74 | 173.9 | 168 | 0 | 0 | 111 | R663 H725 H726 V732 T733 | R663-E729 IonicContact CZ-OE2 3.16Å; R663-E729 IonicContact NE-OE2 3.85Å; R663-E729 IonicContact NH1-OE2 2.65Å; R663-E729 PolarHBondContact NH1-OE2 3.35Å; R663-E729 IonicContact NH2-OE2 3.26Å; R663-E729 PolarHBondContact NH2-OE2 2.96Å; H725-E729 IonicContact CE1-OE1 3.33Å; H725-E729 PolarHBondContact CE1-OE1 3.1Å; H725-E729 IonicContact ND1-OE1 2.98Å; H725-E729 PolarHBondContact ND1-OE1 3.18Å; H725-E729 VanDerWaalsContact ND1-OE1 3.14Å; H725-E729 IonicContact ND1-OE2 3.66Å; H725-E729 WeakPolarHBondContact O-CG 3.43Å; H725-E729 PolarHBondContact O-N 3.22Å; H726-E729 IonicContact CE1-OE2 3.5Å; H726-E729 IonicContact CG-OE2 2.71Å; H726-E729 IonicContact ND1-OE2 3.31Å; H726-E729 PolarHBondContact ND1-OE2 3.06Å; E729-V732 PolarHBondContact O-N 3.19Å; E729-T733 WeakPolarHBondContact O-CG2 3.41Å; E729-T733 PolarHBondContact O-N 2.91Å; E729-T733 PolarHBondContact O-OG1 3.27Å |
| 730 | Y | 81.5 | Confident | 77.3 | Confident | 41.3333 Ų | 41.3333 | 46.8 Ų | 46.8 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 178.2 | -179.2 | -103.8 | 0 | 0 | 0 | 112.8 | R663 S664 H726 I727 R728 V732 T733 V734 E785 I789 | R663-Y730 HydrophobicContact CB-CD1 4.45Å; R663-Y730 HydrophobicContact CB-CD2 3.99Å; R663-Y730 HydrophobicContact CB-CG 3.77Å; S664-Y730 VanDerWaalsContact CB-CE1 3.42Å; S664-Y730 VanDerWaalsContact CB-OH 3.23Å; S664-Y730 WeakPolarHBondContact CB-OH 3.26Å; H726-Y730 WeakPolarHBondContact O-CB 3.22Å; H726-Y730 PolarHBondContact O-N 3.23Å; I727-Y730 PolarHBondContact O-N 3.17Å; R728-Y730 VanDerWaalsContact C-N 3.28Å; R728-Y730 PolarHBondContact O-N 3.27Å; Y730-V732 VanDerWaalsContact C-N 3.27Å; Y730-V732 PolarHBondContact O-N 3.08Å; Y730-T733 WeakPolarHBondContact CA-OG1 3.27Å; Y730-T733 PolarHBondContact O-N 3.37Å; Y730-T733 VanDerWaalsContact O-N 3.17Å; Y730-T733 PolarHBondContact O-OG1 3.09Å; Y730-T733 VanDerWaalsContact O-OG1 3.11Å; Y730-V734 HydrophobicContact CD1-CG2 4.11Å; Y730-V734 HydrophobicContact CD2-CG2 4.18Å; Y730-V734 HydrophobicContact CE1-CG2 3.56Å; Y730-V734 VanDerWaalsContact CE1-CG2 3.49Å; Y730-V734 HydrophobicContact CE2-CG2 3.65Å; Y730-V734 HydrophobicContact CG-CG2 4.38Å; Y730-V734 WeakPolarHBondContact O-CB 3.29Å; Y730-V734 WeakPolarHBondContact O-CG2 3.28Å; Y730-V734 PolarHBondContact O-N 3.28Å; Y730-V734 WeakPolarHBondContact OH-CG2 3.27Å; Y730-E785 PolarHBondContact OH-OE2 3.34Å; Y730-I789 HydrophobicContact CD1-CD1 4.11Å; Y730-I789 HydrophobicContact CE1-CD1 4.24Å |
| 731 | A | 77.9 | Confident | 75.6 | Confident | 1.33333 Ų | 1.33333 | 48.6 Ų | 48.6 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -39.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I727 R728 F735 F903 | I727-A731 WeakPolarHBondContact O-CB 3.44Å; I727-A731 PolarHBondContact O-N 2.91Å; R728-A731 PolarHBondContact O-N 3.24Å; A731-F735 VanDerWaalsContact O-CB 3.28Å; A731-F735 WeakPolarHBondContact O-CB 3.39Å; A731-F735 PolarHBondContact O-N 3.11Å; A731-F903 HydrophobicContact CB-CB 4.45Å |
| 732 | V | 78.2 | Confident | 74 | Confident | 58 Ų | 58 | 47 Ų | 47 | 35% | 0.352 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 172.9 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | R728 E729 Y730 V734 F735 D736 P904 | R728-V732 WeakPolarHBondContact O-CG2 3.37Å; R728-V732 PolarHBondContact O-N 3.06Å; E729-V732 PolarHBondContact O-N 3.19Å; Y730-V732 VanDerWaalsContact C-N 3.27Å; Y730-V732 PolarHBondContact O-N 3.08Å; V732-V734 VanDerWaalsContact C-N 3.33Å; V732-V734 PolarHBondContact O-N 3.09Å; V732-F735 PolarHBondContact O-N 3.25Å; V732-D736 PolarHBondContact O-N 2.95Å; V732-P904 HydrophobicContact CG2-CG 3.97Å |
| 733 | T | 77.7 | Confident | 72.3 | Confident | 60.3333 Ų | 60.3333 | 49.8 Ų | 49.8 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -33 | 179.8 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | E729 Y730 Q737 | E729-T733 WeakPolarHBondContact O-CG2 3.41Å; E729-T733 PolarHBondContact O-N 2.91Å; E729-T733 PolarHBondContact O-OG1 3.27Å; Y730-T733 WeakPolarHBondContact CA-OG1 3.27Å; Y730-T733 PolarHBondContact O-N 3.37Å; Y730-T733 VanDerWaalsContact O-N 3.17Å; Y730-T733 PolarHBondContact O-OG1 3.09Å; Y730-T733 VanDerWaalsContact O-OG1 3.11Å; T733-Q737 WeakPolarHBondContact O-CB 3.44Å; T733-Q737 VanDerWaalsContact O-CG 3.25Å; T733-Q737 WeakPolarHBondContact O-CG 3.42Å; T733-Q737 PolarHBondContact O-N 3.3Å; T733-Q737 VanDerWaalsContact O-N 3.17Å; T733-Q737 PolarHBondContact O-NE2 3.44Å |
| 734 | V | 73.6 | Confident | 70.5 | Confident | 8.33333 Ų | 8.33333 | 50.9 Ų | 50.9 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.4 | -43.4 | 172.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | Y730 V732 D736 Q737 L738 I782 L786 | Y730-V734 HydrophobicContact CD1-CG2 4.11Å; Y730-V734 HydrophobicContact CD2-CG2 4.18Å; Y730-V734 HydrophobicContact CE1-CG2 3.56Å; Y730-V734 VanDerWaalsContact CE1-CG2 3.49Å; Y730-V734 HydrophobicContact CE2-CG2 3.65Å; Y730-V734 HydrophobicContact CG-CG2 4.38Å; Y730-V734 WeakPolarHBondContact O-CB 3.29Å; Y730-V734 WeakPolarHBondContact O-CG2 3.28Å; Y730-V734 PolarHBondContact O-N 3.28Å; Y730-V734 WeakPolarHBondContact OH-CG2 3.27Å; V732-V734 VanDerWaalsContact C-N 3.33Å; V732-V734 PolarHBondContact O-N 3.09Å; V734-D736 VanDerWaalsContact C-N 3.33Å; V734-D736 PolarHBondContact O-N 3.2Å; V734-Q737 PolarHBondContact O-N 3.07Å; V734-Q737 VanDerWaalsContact O-N 3.13Å; V734-L738 HydrophobicContact CG1-CD1 3.77Å; V734-L738 HydrophobicContact CG1-CG 4.13Å; V734-L738 WeakPolarHBondContact O-CB 3.26Å; V734-L738 VanDerWaalsContact O-CG 3.3Å; V734-L738 WeakPolarHBondContact O-CG 3.32Å; V734-L738 PolarHBondContact O-N 3.31Å; V734-I782 HydrophobicContact CG1-CG2 3.97Å; V734-L786 HydrophobicContact CG1-CD2 4.38Å |
| 735 | F | 70.1 | Confident | 68.5 | Low | 61.3333 Ų | 61.3333 | 57.7 Ų | 57.7 | 27% | 0.269 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 177 | -174.6 | -94.5 | 0 | 0 | 0 | 112.4 | A731 V732 Q737 L738 P904 L1046 V1047 F1214 L1215 | A731-F735 VanDerWaalsContact O-CB 3.28Å; A731-F735 WeakPolarHBondContact O-CB 3.39Å; A731-F735 PolarHBondContact O-N 3.11Å; V732-F735 PolarHBondContact O-N 3.25Å; F735-Q737 VanDerWaalsContact C-N 3.28Å; F735-Q737 PolarHBondContact O-N 2.92Å; F735-L738 PolarHBondContact O-N 3.06Å; F735-P904 HydrophobicContact CB-CB 4.13Å; F735-P904 HydrophobicContact CB-CG 3.9Å; F735-P904 HydrophobicContact CD1-CB 4.22Å; F735-P904 HydrophobicContact CD1-CG 4.44Å; F735-P904 HydrophobicContact CD2-CB 3.93Å; F735-P904 HydrophobicContact CD2-CG 4.38Å; F735-P904 WeakPolarHBondContact CD2-O 3.4Å; F735-P904 HydrophobicContact CE1-CB 4.44Å; F735-P904 HydrophobicContact CE2-CB 4.14Å; F735-P904 HydrophobicContact CG-CB 3.82Å; F735-P904 HydrophobicContact CG-CG 4.11Å; F735-P904 HydrophobicContact CZ-CB 4.46Å; F735-L1046 HydrophobicContact CD2-CD2 3.91Å; F735-L1046 HydrophobicContact CE2-CD1 4.01Å; F735-L1046 HydrophobicContact CE2-CD2 3.47Å; F735-L1046 VanDerWaalsContact CE2-CD2 3.47Å; F735-L1046 HydrophobicContact CE2-CG 3.65Å; F735-L1046 HydrophobicContact CZ-CD1 3.76Å; F735-L1046 HydrophobicContact CZ-CD2 3.93Å; F735-L1046 HydrophobicContact CZ-CG 3.96Å; F735-V1047 HydrophobicContact CE2-CG2 4.01Å; F735-V1047 HydrophobicContact CZ-CG2 3.78Å; F735-F1214 HydrophobicContact CD1-CE1 4.49Å; F735-F1214 HydrophobicContact CE1-CE1 4.21Å; F735-L1215 HydrophobicContact CZ-CD2 4.46Å |
| 736 | D | 70.7 | Confident | 66.5 | Low | 101.667 Ų | 101.667 | 62.7 Ų | 62.7 | 54% | 0.544 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.7 | -23.3 | 174.8 | -76.3 | -10.5 | 0 | 0 | 0 | 113.2 | V732 V734 F1196 | V732-D736 PolarHBondContact O-N 2.95Å; V734-D736 VanDerWaalsContact C-N 3.33Å; V734-D736 PolarHBondContact O-N 3.2Å; D736-F1196 VanDerWaalsContact OD1-CD2 3.24Å; D736-F1196 WeakPolarHBondContact OD1-CD2 3.26Å |
| 737 | Q | 68.3 | Low | 64.7 | Low | 143.333 Ų | 143.333 | 63.4 Ų | 63.4 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -87.5 | -28 | 176.8 | -73 | 169.9 | 32.2 | 0 | 0 | 113.2 | T733 V734 F735 S739 | T733-Q737 WeakPolarHBondContact O-CB 3.44Å; T733-Q737 VanDerWaalsContact O-CG 3.25Å; T733-Q737 WeakPolarHBondContact O-CG 3.42Å; T733-Q737 PolarHBondContact O-N 3.3Å; T733-Q737 VanDerWaalsContact O-N 3.17Å; T733-Q737 PolarHBondContact O-NE2 3.44Å; V734-Q737 PolarHBondContact O-N 3.07Å; V734-Q737 VanDerWaalsContact O-N 3.13Å; F735-Q737 VanDerWaalsContact C-N 3.28Å; F735-Q737 PolarHBondContact O-N 2.92Å; Q737-S739 VanDerWaalsContact C-N 3.3Å; Q737-S739 PolarHBondContact O-N 3.07Å; Q737-S739 PolarHBondContact O-OG 2.83Å |
| 738 | L | 61.9 | Low | 63 | Low | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | trans | -72.3 | 76.2 | -176.9 | -79.3 | 174.3 | 0 | 0 | 0 | 112.7 | V734 F735 S740 V742 I782 L786 S906 M1044 | V734-L738 HydrophobicContact CG1-CD1 3.77Å; V734-L738 HydrophobicContact CG1-CG 4.13Å; V734-L738 WeakPolarHBondContact O-CB 3.26Å; V734-L738 VanDerWaalsContact O-CG 3.3Å; V734-L738 WeakPolarHBondContact O-CG 3.32Å; V734-L738 PolarHBondContact O-N 3.31Å; F735-L738 PolarHBondContact O-N 3.06Å; L738-S740 VanDerWaalsContact C-N 3.25Å; L738-S740 PolarHBondContact O-N 3.29Å; L738-V742 HydrophobicContact CD1-CG2 4.11Å; L738-V742 HydrophobicContact CD2-CG2 3.74Å; L738-I782 HydrophobicContact CD1-CG2 4.35Å; L738-I782 HydrophobicContact CD2-CD1 4.26Å; L738-I782 HydrophobicContact CD2-CG2 4.38Å; L738-L786 HydrophobicContact CD1-CD1 4.42Å; L738-S906 VanDerWaalsContact CD1-OG 3.27Å; L738-S906 WeakPolarHBondContact CD1-OG 3.42Å; L738-M1044 HydrophobicContact CB-CE 3.89Å; L738-M1044 WeakPolarHBondContact O-CE 3.44Å | ||
| 739 | S | 56.1 | Low | 61.3 | Low | 118.333 Ų | 118.333 | 67.7 Ų | 67.7 | 83% | 0.828 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -71.2 | -8.2 | 171.8 | 20.5 | 0 | 0 | 0 | 0 | 113.8 | Q737 | Q737-S739 VanDerWaalsContact C-N 3.3Å; Q737-S739 PolarHBondContact O-N 3.07Å; Q737-S739 PolarHBondContact O-OG 2.83Å |
| 740 | S | 52.3 | Low | 59.7 | Low | 65.6667 Ų | 65.6667 | 67.1 Ų | 67.1 | 46% | 0.459 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -135.9 | 143.7 | 174.4 | 102.2 | 0 | 0 | 0 | 0 | 110.7 | L738 | L738-S740 VanDerWaalsContact C-N 3.25Å; L738-S740 PolarHBondContact O-N 3.29Å |
| 741 | P | 51.8 | Low | 57.8 | Low | 38.3333 Ų | 38.3333 | 70 Ų | 70 | 25% | 0.249 | 37% | 0.367 | C | S | . | . | trans | -80.9 | 130.1 | -176.4 | 31.2 | -34.1 | 0 | 0 | 0 | 113 | N743 I908 M1044 | P741-N743 PolarHBondContact O-ND2 3.43Å; P741-I908 HydrophobicContact CB-CD1 3.79Å; P741-I908 HydrophobicContact CB-CG1 3.78Å; P741-I908 HydrophobicContact CG-CD1 3.89Å; P741-I908 VanDerWaalsContact CG-CD1 3.46Å; P741-I908 HydrophobicContact CG-CG1 3.99Å; P741-I908 WeakPolarHBondContact O-CD1 3.46Å; P741-M1044 HydrophobicContact CB-CG 4.24Å; P741-M1044 HydrophobicContact CB-SD 4.22Å; P741-M1044 HydrophobicContact CG-CG 3.9Å | ||
| 742 | V | 53.1 | Low | 56.1 | Low | 4.33333 Ų | 4.33333 | 73.2 Ų | 73.2 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | trans | -72.4 | 131.2 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | L738 F744 D779 L786 I908 | L738-V742 HydrophobicContact CD1-CG2 4.11Å; L738-V742 HydrophobicContact CD2-CG2 3.74Å; V742-F744 HydrophobicContact CB-CD2 4.19Å; V742-F744 HydrophobicContact CB-CE2 3.79Å; V742-F744 HydrophobicContact CB-CZ 4.25Å; V742-F744 HydrophobicContact CG1-CD1 4.36Å; V742-F744 HydrophobicContact CG1-CD2 3.98Å; V742-F744 HydrophobicContact CG1-CE1 4.3Å; V742-F744 HydrophobicContact CG1-CE2 3.99Å; V742-F744 HydrophobicContact CG1-CG 4.3Å; V742-F744 HydrophobicContact CG1-CZ 3.98Å; V742-F744 WeakPolarHBondContact O-CD2 3.24Å; V742-F744 PolarHBondContact O-N 2.86Å; V742-D779 HydrophobicContact CG1-CB 4.18Å; V742-D779 VanDerWaalsContact CG1-O 3.29Å; V742-D779 WeakPolarHBondContact CG1-O 3.21Å; V742-D779 HydrophobicContact CG2-CB 4.4Å; V742-L786 HydrophobicContact CG2-CD1 4.28Å; V742-I908 WeakPolarHBondContact O-CD1 3.23Å; V742-I908 VanDerWaalsContact O-CG1 3.32Å; V742-I908 WeakPolarHBondContact O-CG1 3.31Å | ||
| 743 | N | 49.1 | Very low | 54.5 | Low | 72 Ų | 72 | 74.1 Ų | 74.1 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | trans | -98.8 | 69.2 | -174.2 | -100.9 | -53.1 | 0 | 0 | 0 | 113.4 | P741 K745 I908 Q910 | P741-N743 PolarHBondContact O-ND2 3.43Å; N743-K745 VanDerWaalsContact C-N 3.27Å; N743-K745 PolarHBondContact O-N 3.18Å; N743-I908 WeakPolarHBondContact OD1-CD1 3.42Å; N743-Q910 PolarHBondContact OD1-NE2 3.48Å | ||
| 744 | F | 51 | Low | 52.7 | Low | 23 Ų | 23 | 77.6 Ų | 77.6 | 10% | 0.101 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -25.8 | -176.5 | -71.5 | -90.5 | 0 | 0 | 0 | 117.2 | V742 R746 Q747 S783 L786 M787 I907 I930 | V742-F744 HydrophobicContact CB-CD2 4.19Å; V742-F744 HydrophobicContact CB-CE2 3.79Å; V742-F744 HydrophobicContact CB-CZ 4.25Å; V742-F744 HydrophobicContact CG1-CD1 4.36Å; V742-F744 HydrophobicContact CG1-CD2 3.98Å; V742-F744 HydrophobicContact CG1-CE1 4.3Å; V742-F744 HydrophobicContact CG1-CE2 3.99Å; V742-F744 HydrophobicContact CG1-CG 4.3Å; V742-F744 HydrophobicContact CG1-CZ 3.98Å; V742-F744 WeakPolarHBondContact O-CD2 3.24Å; V742-F744 PolarHBondContact O-N 2.86Å; F744-R746 VanDerWaalsContact C-N 3.26Å; F744-R746 PolarHBondContact O-N 3.22Å; F744-R746 VanDerWaalsContact O-N 3.11Å; F744-Q747 PolarHBondContact O-N 2.99Å; F744-S783 WeakPolarHBondContact CD1-OG 3.37Å; F744-S783 VanDerWaalsContact CE1-OG 3.26Å; F744-S783 WeakPolarHBondContact CE1-OG 3.4Å; F744-L786 HydrophobicContact CE1-CB 4.3Å; F744-L786 HydrophobicContact CZ-CB 4.13Å; F744-L786 HydrophobicContact CZ-CD1 3.94Å; F744-M787 HydrophobicContact CE1-CG 4.24Å; F744-I907 HydrophobicContact CD2-CG1 4.32Å; F744-I907 HydrophobicContact CD2-CG2 4.36Å; F744-I907 HydrophobicContact CE2-CG1 4.15Å; F744-I907 HydrophobicContact CZ-CG1 4.39Å; F744-I930 HydrophobicContact CB-CD1 3.46Å; F744-I930 VanDerWaalsContact CB-CD1 3.46Å; F744-I930 HydrophobicContact CB-CG1 3.86Å; F744-I930 HydrophobicContact CD1-CD1 3.4Å; F744-I930 VanDerWaalsContact CD1-CD1 3.4Å; F744-I930 HydrophobicContact CD1-CG1 4.4Å; F744-I930 HydrophobicContact CD2-CD1 4.08Å; F744-I930 HydrophobicContact CE1-CD1 4.21Å; F744-I930 HydrophobicContact CG-CD1 3.63Å; F744-I930 HydrophobicContact CG-CG1 4.09Å |
| 745 | K | 43.5 | Very low | 51.1 | Low | 143 Ų | 143 | 83.6 Ų | 83.6 | 62% | 0.622 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65 | -29.6 | -164.9 | -172 | 165.7 | -178.6 | 168.1 | 0 | 115 | N743 Q747 E749 | N743-K745 VanDerWaalsContact C-N 3.27Å; N743-K745 PolarHBondContact O-N 3.18Å; K745-Q747 VanDerWaalsContact C-N 3.33Å; K745-Q747 PolarHBondContact O-N 3.33Å; K745-E749 WeakPolarHBondContact CE-OE1 3.44Å; K745-E749 IonicContact NZ-OE1 3.53Å |
| 746 | R | 45.9 | Very low | 49.5 | Very low | 186.333 Ų | 186.333 | 87.4 Ų | 87.4 | 70% | 0.703 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -73.5 | -24.9 | -179.5 | -107.3 | -173.7 | -151.3 | 163.7 | -2.3 | 113.6 | F744 S750 D776 | F744-R746 VanDerWaalsContact C-N 3.26Å; F744-R746 PolarHBondContact O-N 3.22Å; F744-R746 VanDerWaalsContact O-N 3.11Å; R746-S750 PolarHBondContact O-N 3.31Å; R746-D776 IonicContact NH1-OD2 2.96Å |
| 747 | Q | 45.2 | Very low | 47.7 | Very low | 31 Ų | 31 | 90.1 Ų | 90.1 | 15% | 0.145 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -81.7 | -37.7 | -169 | -68.8 | 165.5 | -22.3 | 0 | 0 | 112.9 | F744 K745 E749 S750 L751 D779 N780 S783 | F744-Q747 PolarHBondContact O-N 2.99Å; K745-Q747 VanDerWaalsContact C-N 3.33Å; K745-Q747 PolarHBondContact O-N 3.33Å; Q747-E749 VanDerWaalsContact C-N 3.3Å; Q747-E749 PolarHBondContact O-N 3.03Å; Q747-S750 WeakPolarHBondContact O-CA 3.3Å; Q747-S750 WeakPolarHBondContact O-CB 3.48Å; Q747-S750 PolarHBondContact O-N 3.32Å; Q747-S750 VanDerWaalsContact O-N 3.1Å; Q747-S750 PolarHBondContact O-OG 3.18Å; Q747-L751 WeakPolarHBondContact O-CG 3.34Å; Q747-L751 PolarHBondContact O-N 2.92Å; Q747-D779 PolarHBondContact NE2-O 2.92Å; Q747-N780 VanDerWaalsContact NE2-CA 3.28Å; Q747-N780 PolarHBondContact NE2-O 2.98Å; Q747-N780 PolarHBondContact NE2-OD1 2.97Å; Q747-S783 VanDerWaalsContact OE1-CB 3.26Å; Q747-S783 PolarHBondContact OE1-OG 3.16Å |
| 748 | V | 49.4 | Very low | 46.1 | Very low | 41.6667 Ų | 41.6667 | 90.6 Ų | 90.6 | 25% | 0.253 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | S750 L751 L752 L928 | V748-S750 VanDerWaalsContact C-N 3.3Å; V748-S750 PolarHBondContact O-N 3.06Å; V748-L751 PolarHBondContact O-N 2.97Å; V748-L752 HydrophobicContact CG1-CD1 3.91Å; V748-L752 WeakPolarHBondContact O-CB 3.41Å; V748-L752 VanDerWaalsContact O-CG 3.29Å; V748-L752 WeakPolarHBondContact O-CG 3.41Å; V748-L752 PolarHBondContact O-N 3.31Å; V748-L752 VanDerWaalsContact O-N 3.14Å; V748-L928 HydrophobicContact CG1-CB 4.45Å |
| 749 | E | 46.6 | Very low | 44.6 | Very low | 127.333 Ų | 127.333 | 94.5 Ų | 94.5 | 60% | 0.595 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -36 | 176 | -65.9 | 175 | 176.5 | 0 | 0 | 112 | K745 Q747 S753 | K745-E749 WeakPolarHBondContact CE-OE1 3.44Å; K745-E749 IonicContact NZ-OE1 3.53Å; Q747-E749 VanDerWaalsContact C-N 3.3Å; Q747-E749 PolarHBondContact O-N 3.03Å; E749-S753 WeakPolarHBondContact O-CB 3.31Å; E749-S753 PolarHBondContact O-N 3.41Å; E749-S753 PolarHBondContact O-OG 3.38Å |
| 750 | S | 48.8 | Very low | 43.4 | Very low | 59.6667 Ų | 59.6667 | 93.6 Ų | 93.6 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.9 | -36.6 | 177.5 | 102.8 | 0 | 0 | 0 | 0 | 114.1 | R746 Q747 V748 L752 S753 N754 | R746-S750 PolarHBondContact O-N 3.31Å; Q747-S750 WeakPolarHBondContact O-CA 3.3Å; Q747-S750 WeakPolarHBondContact O-CB 3.48Å; Q747-S750 PolarHBondContact O-N 3.32Å; Q747-S750 VanDerWaalsContact O-N 3.1Å; Q747-S750 PolarHBondContact O-OG 3.18Å; V748-S750 VanDerWaalsContact C-N 3.3Å; V748-S750 PolarHBondContact O-N 3.06Å; S750-L752 VanDerWaalsContact C-N 3.31Å; S750-L752 PolarHBondContact O-N 2.94Å; S750-S753 WeakPolarHBondContact CA-OG 3.34Å; S750-S753 PolarHBondContact O-N 3.34Å; S750-S753 PolarHBondContact O-OG 3.22Å; S750-S753 VanDerWaalsContact O-OG 3.08Å; S750-N754 PolarHBondContact O-N 3.02Å |
| 751 | L | 43.3 | Very low | 42.3 | Very low | 102 Ų | 102 | 97.6 Ų | 97.6 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.7 | -32.4 | 177.7 | -70.4 | 171.7 | 0 | 0 | 0 | 111.7 | Q747 V748 N755 M787 | Q747-L751 WeakPolarHBondContact O-CG 3.34Å; Q747-L751 PolarHBondContact O-N 2.92Å; V748-L751 PolarHBondContact O-N 2.97Å; L751-N755 PolarHBondContact O-ND2 2.91Å; L751-M787 HydrophobicContact CD1-CE 4.42Å |
| 752 | L | 41.3 | Very low | 41.1 | Very low | 68.6667 Ų | 68.6667 | 104.6 Ų | 104.6 | 36% | 0.36 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -78.6 | -33.3 | 176.5 | -69.7 | 170.1 | 0 | 0 | 0 | 113 | V748 S750 N754 N755 K925 S926 | V748-L752 HydrophobicContact CG1-CD1 3.91Å; V748-L752 WeakPolarHBondContact O-CB 3.41Å; V748-L752 VanDerWaalsContact O-CG 3.29Å; V748-L752 WeakPolarHBondContact O-CG 3.41Å; V748-L752 PolarHBondContact O-N 3.31Å; V748-L752 VanDerWaalsContact O-N 3.14Å; S750-L752 VanDerWaalsContact C-N 3.31Å; S750-L752 PolarHBondContact O-N 2.94Å; L752-N754 VanDerWaalsContact C-N 3.34Å; L752-N754 PolarHBondContact O-N 3.08Å; L752-N755 PolarHBondContact O-N 3.37Å; L752-K925 HydrophobicContact CD2-CB 4.42Å; L752-S926 WeakPolarHBondContact CD1-O 3.39Å |
| 753 | S | 45.6 | Very low | 40 | Very low | 76 Ų | 76 | 109.3 Ų | 109.3 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.9 | -31 | -179.2 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | E749 S750 N755 | E749-S753 WeakPolarHBondContact O-CB 3.31Å; E749-S753 PolarHBondContact O-N 3.41Å; E749-S753 PolarHBondContact O-OG 3.38Å; S750-S753 WeakPolarHBondContact CA-OG 3.34Å; S750-S753 PolarHBondContact O-N 3.34Å; S750-S753 PolarHBondContact O-OG 3.22Å; S750-S753 VanDerWaalsContact O-OG 3.08Å; S753-N755 VanDerWaalsContact C-N 3.27Å; S753-N755 PolarHBondContact O-N 3.08Å |
| 754 | N | 39 | Very low | 39 | Very low | 135.333 Ų | 135.333 | 113.4 Ų | 113.4 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -14.2 | -178.2 | -83.6 | -14.2 | 0 | 0 | 0 | 114.9 | S750 L752 N756 | S750-N754 PolarHBondContact O-N 3.02Å; L752-N754 VanDerWaalsContact C-N 3.34Å; L752-N754 PolarHBondContact O-N 3.08Å; N754-N756 VanDerWaalsContact C-N 3.3Å; N754-N756 PolarHBondContact O-N 2.88Å |
| 755 | N | 39.4 | Very low | 38.1 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 2.6 | -172.5 | -86.3 | -52.2 | 0 | 0 | 0 | 115.7 | L751 L752 S753 | L751-N755 PolarHBondContact O-ND2 2.91Å; L752-N755 PolarHBondContact O-N 3.37Å; S753-N755 VanDerWaalsContact C-N 3.27Å; S753-N755 PolarHBondContact O-N 3.08Å |
| 756 | N | 36.8 | Very low | 37.5 | Very low | 141.667 Ų | 141.667 | 120.9 Ų | 120.9 | 76% | 0.758 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -113.9 | 1.9 | -170.9 | -90.5 | -28.1 | 0 | 0 | 0 | 116.3 | N754 | N754-N756 VanDerWaalsContact C-N 3.3Å; N754-N756 PolarHBondContact O-N 2.88Å |
| 757 | N | 33.4 | Very low | 36.7 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 85% | 0.845 | 64% | 0.643 | S | S | * | * | trans | -115 | 103.5 | 176.1 | -82.5 | -35.6 | 0 | 0 | 0 | 112.6 | S759 | N757-S759 PolarHBondContact O-N 3.41Š| ||
| 758 | N | 33.4 | Very low | 36.2 | Very low | 153.667 Ų | 153.667 | 126.4 Ų | 126.4 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | trans | -75.3 | 132.2 | 175.9 | -85.5 | -51.9 | 0 | 0 | 0 | 112.2 | ||||
| 759 | S | 31 | Very low | 35.3 | Very low | 103.667 Ų | 103.667 | 131.3 Ų | 131.3 | 73% | 0.725 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 93.1 | 125.5 | 145.6 | 59.2 | 0 | 0 | 0 | 0 | 118.3 | N757 | N757-S759 PolarHBondContact O-N 3.41Š|
| 760 | S | 30.5 | Very low | 34.7 | Very low | 99.3333 Ų | 99.3333 | 130 Ų | 130 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | trans | 65.7 | 133.4 | 149.1 | 66 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 761 | N | 30.3 | Very low | 33.8 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | trans | 64.9 | 91.4 | 155.9 | -52.6 | -18.4 | 0 | 0 | 0 | 117.5 | ||||
| 762 | F | 26.5 | Very low | 33.5 | Very low | 185.667 Ų | 185.667 | 136.8 Ų | 136.8 | 81% | 0.814 | 74% | 0.735 | S | S | * | * | -126.2 | 126 | 129.9 | -139.9 | -101.1 | 0 | 0 | 0 | 112.9 | Y765 | F762-Y765 HydrophobicContact CE1-CD2 4.26Å; F762-Y765 HydrophobicContact CE2-CD2 4.27Å; F762-Y765 AromaticContact CZ-CD2 3.62Å; F762-Y765 HydrophobicContact CZ-CD2 3.62Å; F762-Y765 HydrophobicContact CZ-CG 4.24Å | |||
| 763 | S | 28.7 | Very low | 33.3 | Very low | 101.333 Ų | 101.333 | 140 Ų | 140 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | -94 | 141.7 | 157.1 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 764 | Q | 29.7 | Very low | 33.2 | Very low | 159.333 Ų | 159.333 | 143.1 Ų | 143.1 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | 78.4 | 126 | 157.1 | -153.1 | 169.9 | 17 | 0 | 0 | 117.7 | ||||
| 765 | Y | 31.2 | Very low | 33.3 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | 102.8 | 131 | 170.6 | -63.3 | -80.9 | 0 | 0 | 0 | 113 | F762 | F762-Y765 HydrophobicContact CE1-CD2 4.26Å; F762-Y765 HydrophobicContact CE2-CD2 4.27Å; F762-Y765 AromaticContact CZ-CD2 3.62Å; F762-Y765 HydrophobicContact CZ-CD2 3.62Å; F762-Y765 HydrophobicContact CZ-CG 4.24Å | ||
| 766 | N | 31.4 | Very low | 33.5 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -154.2 | 146.9 | -13.9 | -105.6 | -2.2 | 0 | 0 | 0 | 110 | ||||
| 767 | E | 28.2 | Very low | 33.9 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -69.6 | 134.8 | 161 | -60.2 | 167.7 | 125.7 | 0 | 0 | 110 | ||||
| 768 | I | 35.7 | Very low | 35 | Very low | 149.333 Ų | 149.333 | 132.5 Ų | 132.5 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | trans | -170.5 | 108.6 | 150.2 | -79.8 | 162.3 | 0 | 0 | 0 | 110.1 | ||||
| 769 | N | 31.1 | Very low | 36 | Very low | 146 Ų | 146 | 128 Ų | 128 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | 51.1 | 105.8 | 153.6 | -52.5 | -22.1 | 0 | 0 | 0 | 120 | ||||
| 770 | S | 33.5 | Very low | 37.3 | Very low | 98.6667 Ų | 98.6667 | 126.7 Ų | 126.7 | 69% | 0.69 | 69% | 0.69 | S | S | * | * | -165.2 | 127 | 91.7 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | D772 | S770-D772 PolarHBondContact O-N 3.41Š| |||
| 771 | N | 29.8 | Very low | 39.1 | Very low | 152.667 Ų | 152.667 | 126.1 Ų | 126.1 | 82% | 0.816 | 68% | 0.676 | S | S | * | * | trans | -61.7 | 105.9 | 173.4 | -53.2 | -36.7 | 0 | 0 | 0 | 113.3 | ||||
| 772 | D | 35.8 | Very low | 40.9 | Very low | 153.333 Ų | 153.333 | 120 Ų | 120 | 82% | 0.82 | 64% | 0.643 | S | S | * | * | trans | -168.9 | -13.8 | 149 | -93.5 | -26.7 | 0 | 0 | 0 | 113.9 | S770 V774 | S770-D772 PolarHBondContact O-N 3.41Å; D772-V774 VanDerWaalsContact C-N 3.28Å; D772-V774 PolarHBondContact O-N 3.23Å | ||
| 773 | D | 38.6 | Very low | 42.8 | Very low | 135 Ų | 135 | 111.3 Ų | 111.3 | 72% | 0.722 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 21.4 | -164.5 | -56.3 | -51.9 | 0 | 0 | 0 | 117.9 | A775 | D773-A775 VanDerWaalsContact C-N 3.29Å; D773-A775 PolarHBondContact O-N 3.13Å |
| 774 | V | 42 | Very low | 44.9 | Very low | 141 Ų | 141 | 111.6 Ų | 111.6 | 86% | 0.855 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -18.5 | -173.4 | -177.1 | 0 | 0 | 0 | 0 | 113.5 | D772 | D772-V774 VanDerWaalsContact C-N 3.28Å; D772-V774 PolarHBondContact O-N 3.23Å |
| 775 | A | 42.3 | Very low | 47.1 | Very low | 76.3333 Ų | 76.3333 | 104.7 Ų | 104.7 | 63% | 0.631 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -79.2 | -39.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D773 G777 H778 | D773-A775 VanDerWaalsContact C-N 3.29Å; D773-A775 PolarHBondContact O-N 3.13Å; A775-G777 PolarHBondContact O-N 3.3Å; A775-G777 VanDerWaalsContact O-N 3.15Å; A775-H778 PolarHBondContact O-N 3.27Å |
| 776 | D | 42.3 | Very low | 49.3 | Very low | 89.3333 Ų | 89.3333 | 96.2 Ų | 96.2 | 48% | 0.478 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -20.1 | -169.1 | -96.3 | 24.7 | 0 | 0 | 0 | 113.6 | R746 H778 N780 | R746-D776 IonicContact NH1-OD2 2.96Å; D776-H778 PolarHBondContact O-N 2.94Å; D776-N780 VanDerWaalsContact O-CG 3.26Å; D776-N780 PolarHBondContact O-N 3.44Å; D776-N780 PolarHBondContact O-ND2 3.2Å; D776-N780 VanDerWaalsContact O-ND2 3.11Å |
| 777 | G | 46.9 | Very low | 51.4 | Low | 51.3333 Ų | 51.3333 | 92.4 Ų | 92.4 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A775 | A775-G777 PolarHBondContact O-N 3.3Å; A775-G777 VanDerWaalsContact O-N 3.15Å |
| 778 | H | 55 | Low | 53.9 | Low | 129 Ų | 129 | 85.1 Ų | 85.1 | 60% | 0.597 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -80.6 | -36.2 | -174.1 | -159.3 | -34 | 0 | 0 | 0 | 112.5 | A775 D776 N780 Q781 I782 | A775-H778 PolarHBondContact O-N 3.27Å; D776-H778 PolarHBondContact O-N 2.94Å; H778-N780 VanDerWaalsContact C-N 3.29Å; H778-N780 PolarHBondContact O-N 3.3Å; H778-Q781 PolarHBondContact O-N 3.12Å; H778-I782 PolarHBondContact O-N 3.11Å |
| 779 | D | 55.2 | Low | 56.1 | Low | 60.3333 Ų | 60.3333 | 78 Ų | 78 | 32% | 0.323 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.7 | -31.8 | 175.7 | -81.6 | 10.2 | 0 | 0 | 0 | 111.8 | V742 Q747 Q781 I782 S783 | V742-D779 HydrophobicContact CG1-CB 4.18Å; V742-D779 VanDerWaalsContact CG1-O 3.29Å; V742-D779 WeakPolarHBondContact CG1-O 3.21Å; V742-D779 HydrophobicContact CG2-CB 4.4Å; Q747-D779 PolarHBondContact NE2-O 2.92Å; D779-Q781 PolarHBondContact O-N 3.02Å; D779-I782 PolarHBondContact O-N 3.43Å; D779-S783 VanDerWaalsContact O-CB 3.25Å; D779-S783 WeakPolarHBondContact O-CB 3.3Å; D779-S783 PolarHBondContact O-N 3.09Å |
| 780 | N | 58.8 | Low | 58.4 | Low | 75.6667 Ų | 75.6667 | 71.1 Ų | 71.1 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 175.5 | -77.2 | -42.5 | 0 | 0 | 0 | 112.3 | Q747 D776 H778 S783 E784 | Q747-N780 VanDerWaalsContact NE2-CA 3.28Å; Q747-N780 PolarHBondContact NE2-O 2.98Å; Q747-N780 PolarHBondContact NE2-OD1 2.97Å; D776-N780 VanDerWaalsContact O-CG 3.26Å; D776-N780 PolarHBondContact O-N 3.44Å; D776-N780 PolarHBondContact O-ND2 3.2Å; D776-N780 VanDerWaalsContact O-ND2 3.11Å; H778-N780 VanDerWaalsContact C-N 3.29Å; H778-N780 PolarHBondContact O-N 3.3Å; N780-S783 PolarHBondContact O-N 3.21Å; N780-E784 PolarHBondContact O-N 3.1Å |
| 781 | Q | 67.4 | Low | 60.7 | Low | 86 Ų | 86 | 69.5 Ų | 69.5 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.7 | -45.6 | -179.9 | -176.6 | 176.6 | -18.7 | 0 | 0 | 112.1 | N661 H778 D779 S783 E784 E785 | N661-Q781 PolarHBondContact ND2-NE2 2.92Å; N661-Q781 PolarHBondContact OD1-NE2 3.25Å; N661-Q781 VanDerWaalsContact OD1-NE2 3.1Å; H778-Q781 PolarHBondContact O-N 3.12Å; D779-Q781 PolarHBondContact O-N 3.02Å; Q781-S783 VanDerWaalsContact C-N 3.26Å; Q781-S783 PolarHBondContact O-N 3.23Å; Q781-E784 PolarHBondContact O-N 3.25Å; Q781-E784 VanDerWaalsContact O-N 3.13Å; Q781-E785 HydrophobicContact CG-CG 4.41Å; Q781-E785 PolarHBondContact NE2-OE1 3.46Å; Q781-E785 WeakPolarHBondContact O-CG 3.31Å; Q781-E785 PolarHBondContact O-N 3.17Å; Q781-E785 VanDerWaalsContact O-N 3.09Å |
| 782 | I | 67.8 | Low | 63.4 | Low | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | -179.7 | -63.1 | 168.6 | 0 | 0 | 0 | 110.7 | V734 L738 H778 D779 E785 L786 | V734-I782 HydrophobicContact CG1-CG2 3.97Å; L738-I782 HydrophobicContact CD1-CG2 4.35Å; L738-I782 HydrophobicContact CD2-CD1 4.26Å; L738-I782 HydrophobicContact CD2-CG2 4.38Å; H778-I782 PolarHBondContact O-N 3.11Å; D779-I782 PolarHBondContact O-N 3.43Å; I782-E785 PolarHBondContact O-N 3.29Å; I782-L786 HydrophobicContact CG2-CD1 3.87Å; I782-L786 HydrophobicContact CG2-CG 4.28Å; I782-L786 WeakPolarHBondContact O-CB 3.39Å; I782-L786 VanDerWaalsContact O-CG 3.27Å; I782-L786 WeakPolarHBondContact O-CG 3.47Å; I782-L786 PolarHBondContact O-N 3.27Å |
| 783 | S | 66.9 | Low | 65.7 | Low | 3.66667 Ų | 3.66667 | 55.2 Ų | 55.2 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 112.7 | F744 Q747 D779 N780 Q781 L786 M787 | F744-S783 WeakPolarHBondContact CD1-OG 3.37Å; F744-S783 VanDerWaalsContact CE1-OG 3.26Å; F744-S783 WeakPolarHBondContact CE1-OG 3.4Å; Q747-S783 VanDerWaalsContact OE1-CB 3.26Å; Q747-S783 PolarHBondContact OE1-OG 3.16Å; D779-S783 VanDerWaalsContact O-CB 3.25Å; D779-S783 WeakPolarHBondContact O-CB 3.3Å; D779-S783 PolarHBondContact O-N 3.09Å; N780-S783 PolarHBondContact O-N 3.21Å; Q781-S783 VanDerWaalsContact C-N 3.26Å; Q781-S783 PolarHBondContact O-N 3.23Å; S783-L786 PolarHBondContact O-N 3.2Å; S783-M787 WeakPolarHBondContact O-CB 3.41Å; S783-M787 WeakPolarHBondContact O-CG 3.44Å; S783-M787 PolarHBondContact O-N 3.14Å |
| 784 | E | 73.8 | Confident | 67.8 | Low | 107.333 Ų | 107.333 | 49.2 Ų | 49.2 | 50% | 0.502 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 178 | -171.4 | 175.2 | -176.5 | 0 | 0 | 111.8 | N780 Q781 L786 M787 M788 | N780-E784 PolarHBondContact O-N 3.1Å; Q781-E784 PolarHBondContact O-N 3.25Å; Q781-E784 VanDerWaalsContact O-N 3.13Å; E784-L786 PolarHBondContact O-N 3.03Å; E784-M787 WeakPolarHBondContact O-CB 3.37Å; E784-M787 PolarHBondContact O-N 3.17Å; E784-M788 WeakPolarHBondContact O-CG 3.37Å; E784-M788 PolarHBondContact O-N 3.41Å |
| 785 | E | 76 | Confident | 69.9 | Low | 15.6667 Ų | 15.6667 | 44.3 Ų | 44.3 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.5 | -68.8 | 178.7 | 148.5 | 0 | 0 | 112.5 | S664 Y730 Q781 I782 M787 M788 I789 | S664-E785 VanDerWaalsContact CB-CD 3.41Å; S664-E785 VanDerWaalsContact CB-OE1 3.28Å; S664-E785 WeakPolarHBondContact CB-OE1 3.33Å; S664-E785 WeakPolarHBondContact CB-OE2 3.48Å; S664-E785 VanDerWaalsContact OG-CD 3.29Å; S664-E785 PolarHBondContact OG-OE1 3Å; Y730-E785 PolarHBondContact OH-OE2 3.34Å; Q781-E785 HydrophobicContact CG-CG 4.41Å; Q781-E785 PolarHBondContact NE2-OE1 3.46Å; Q781-E785 WeakPolarHBondContact O-CG 3.31Å; Q781-E785 PolarHBondContact O-N 3.17Å; Q781-E785 VanDerWaalsContact O-N 3.09Å; I782-E785 PolarHBondContact O-N 3.29Å; E785-M787 VanDerWaalsContact C-N 3.3Å; E785-M787 PolarHBondContact O-N 3.41Å; E785-M788 PolarHBondContact O-N 3.15Å; E785-I789 WeakPolarHBondContact O-CG1 3.36Å; E785-I789 PolarHBondContact O-N 2.92Å |
| 786 | L | 75.9 | Confident | 72.1 | Confident | 10.6667 Ų | 10.6667 | 40.8 Ų | 40.8 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.1 | -32.4 | 175.4 | -67.8 | 172.6 | 0 | 0 | 0 | 112.3 | V734 L738 V742 F744 I782 S783 E784 I789 A790 L905 | V734-L786 HydrophobicContact CG1-CD2 4.38Å; L738-L786 HydrophobicContact CD1-CD1 4.42Å; V742-L786 HydrophobicContact CG2-CD1 4.28Å; F744-L786 HydrophobicContact CE1-CB 4.3Å; F744-L786 HydrophobicContact CZ-CB 4.13Å; F744-L786 HydrophobicContact CZ-CD1 3.94Å; I782-L786 HydrophobicContact CG2-CD1 3.87Å; I782-L786 HydrophobicContact CG2-CG 4.28Å; I782-L786 WeakPolarHBondContact O-CB 3.39Å; I782-L786 VanDerWaalsContact O-CG 3.27Å; I782-L786 WeakPolarHBondContact O-CG 3.47Å; I782-L786 PolarHBondContact O-N 3.27Å; S783-L786 PolarHBondContact O-N 3.2Å; E784-L786 PolarHBondContact O-N 3.03Å; L786-I789 PolarHBondContact O-N 3.27Å; L786-A790 WeakPolarHBondContact O-CB 3.27Å; L786-A790 PolarHBondContact O-N 3.31Å; L786-L905 HydrophobicContact CD2-CD2 3.64Å |
| 787 | M | 76.5 | Confident | 74.3 | Confident | 53.3333 Ų | 53.3333 | 36.8 Ų | 36.8 | 26% | 0.263 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.6 | -40.3 | 174 | -139.7 | 178.6 | -38.9 | 0 | 0 | 111.9 | F744 L751 S783 E784 E785 I789 A790 E791 I930 L933 | F744-M787 HydrophobicContact CE1-CG 4.24Å; L751-M787 HydrophobicContact CD1-CE 4.42Å; S783-M787 WeakPolarHBondContact O-CB 3.41Å; S783-M787 WeakPolarHBondContact O-CG 3.44Å; S783-M787 PolarHBondContact O-N 3.14Å; E784-M787 WeakPolarHBondContact O-CB 3.37Å; E784-M787 PolarHBondContact O-N 3.17Å; E785-M787 VanDerWaalsContact C-N 3.3Å; E785-M787 PolarHBondContact O-N 3.41Å; M787-I789 VanDerWaalsContact C-N 3.34Å; M787-I789 PolarHBondContact O-N 3.04Å; M787-A790 WeakPolarHBondContact O-CB 3.42Å; M787-A790 PolarHBondContact O-N 3.37Å; M787-A790 VanDerWaalsContact O-N 3.16Å; M787-E791 PolarHBondContact O-N 3.22Å; M787-I930 HydrophobicContact CG-CD1 4.26Å; M787-L933 HydrophobicContact CB-CD1 4.08Å; M787-L933 HydrophobicContact CB-CD2 4.35Å; M787-L933 HydrophobicContact CG-CD1 4.3Å; M787-L933 HydrophobicContact CG-CD2 3.38Å; M787-L933 VanDerWaalsContact CG-CD2 3.46Å; M787-L933 WeakPolarHBondContact O-CD2 3.43Å; M787-L933 HydrophobicContact SD-CD2 4.37Å |
| 788 | M | 80.6 | Confident | 76.1 | Confident | 28.6667 Ų | 28.6667 | 38.3 Ų | 38.3 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 173.6 | -71.2 | -66.5 | -65.1 | 0 | 0 | 112.5 | P668 H669 E784 E785 A790 E791 A792 | P668-M788 HydrophobicContact CB-CB 4.4Å; H669-M788 HydrophobicContact CB-CE 3.97Å; E784-M788 WeakPolarHBondContact O-CG 3.37Å; E784-M788 PolarHBondContact O-N 3.41Å; E785-M788 PolarHBondContact O-N 3.15Å; M788-A790 VanDerWaalsContact C-N 3.34Å; M788-E791 PolarHBondContact O-N 2.86Å; M788-A792 PolarHBondContact O-N 3.08Å; M788-A792 VanDerWaalsContact O-N 3.14Å |
| 789 | I | 82 | Confident | 77.7 | Confident | 0.666667 Ų | 0.666667 | 32.2 Ų | 32.2 | 0% | 0.003 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 173.8 | -66.6 | 167.3 | 0 | 0 | 0 | 110.7 | P668 I727 Y730 E785 L786 M787 E791 A792 V793 F903 L905 | P668-I789 HydrophobicContact CB-CG1 4.34Å; P668-I789 HydrophobicContact CG-CG1 3.72Å; I727-I789 HydrophobicContact CG2-CD1 4.31Å; I727-I789 HydrophobicContact CG2-CG1 4.09Å; I727-I789 HydrophobicContact CG2-CG2 4.09Å; Y730-I789 HydrophobicContact CD1-CD1 4.11Å; Y730-I789 HydrophobicContact CE1-CD1 4.24Å; E785-I789 WeakPolarHBondContact O-CG1 3.36Å; E785-I789 PolarHBondContact O-N 2.92Å; L786-I789 PolarHBondContact O-N 3.27Å; M787-I789 VanDerWaalsContact C-N 3.34Å; M787-I789 PolarHBondContact O-N 3.04Å; I789-E791 PolarHBondContact O-N 3.39Å; I789-A792 PolarHBondContact O-N 2.98Å; I789-V793 VanDerWaalsContact O-CG2 3.27Å; I789-V793 WeakPolarHBondContact O-CG2 3.44Å; I789-V793 PolarHBondContact O-N 3.23Å; I789-V793 VanDerWaalsContact O-N 3.11Å; I789-F903 HydrophobicContact CG2-CD2 3.77Å; I789-F903 HydrophobicContact CG2-CE2 4.03Å; I789-L905 HydrophobicContact CG2-CD2 4.11Å |
| 790 | A | 79.2 | Confident | 79.3 | Confident | 0.666667 Ų | 0.666667 | 29.3 Ų | 29.3 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L786 M787 M788 V793 G794 I930 L933 F934 | L786-A790 WeakPolarHBondContact O-CB 3.27Å; L786-A790 PolarHBondContact O-N 3.31Å; M787-A790 WeakPolarHBondContact O-CB 3.42Å; M787-A790 PolarHBondContact O-N 3.37Å; M787-A790 VanDerWaalsContact O-N 3.16Å; M788-A790 VanDerWaalsContact C-N 3.34Å; A790-V793 PolarHBondContact O-N 3Å; A790-G794 PolarHBondContact O-N 3.11Å; A790-I930 HydrophobicContact CB-CD1 4.22Å; A790-I930 HydrophobicContact CB-CG1 3.73Å; A790-L933 HydrophobicContact CB-CB 4.09Å; A790-L933 HydrophobicContact CB-CD1 4.09Å; A790-L933 HydrophobicContact CB-CD2 3.94Å; A790-L933 HydrophobicContact CB-CG 4.14Å; A790-L933 CarbonylContact O-C 3.08Å; A790-F934 HydrophobicContact CB-CD1 4.07Å; A790-F934 HydrophobicContact CB-CD2 3.97Å; A790-F934 HydrophobicContact CB-CE1 3.61Å; A790-F934 HydrophobicContact CB-CE2 3.42Å; A790-F934 HydrophobicContact CB-CG 4.35Å; A790-F934 HydrophobicContact CB-CZ 3.58Å |
| 791 | E | 82.2 | Confident | 80.6 | Confident | 65.6667 Ų | 65.6667 | 25.8 Ų | 25.8 | 31% | 0.307 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 176.7 | -168.2 | -173.6 | 165.3 | 0 | 0 | 111.5 | M787 M788 I789 V793 G794 Q795 L933 | M787-E791 PolarHBondContact O-N 3.22Å; M788-E791 PolarHBondContact O-N 2.86Å; I789-E791 PolarHBondContact O-N 3.39Å; E791-V793 VanDerWaalsContact C-N 3.25Å; E791-V793 PolarHBondContact O-N 3.19Å; E791-G794 CarbonylContact O-C 3.59Å; E791-G794 WeakPolarHBondContact O-CA 3.38Å; E791-G794 PolarHBondContact O-N 3.15Å; E791-Q795 HydrophobicContact CG-CG 4.02Å; E791-Q795 VanDerWaalsContact O-CG 3.3Å; E791-Q795 WeakPolarHBondContact O-CG 3.43Å; E791-Q795 PolarHBondContact O-N 3.24Å; E791-Q795 PolarHBondContact OE1-NE2 2.72Å; E791-Q795 VanDerWaalsContact OE1-NE2 3.15Å; E791-L933 HydrophobicContact CB-CD1 3.83Å; E791-L933 HydrophobicContact CB-CD2 4.27Å; E791-L933 HydrophobicContact CB-CG 4Å; E791-L933 HydrophobicContact CG-CD1 3.82Å; E791-L933 HydrophobicContact CG-CG 4.49Å |
| 792 | A | 85 | Confident | 81.4 | Confident | 3.33333 Ų | 3.33333 | 22.1 Ų | 22.1 | 3% | 0.028 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -37.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P668 I671 T672 M788 I789 F796 | P668-A792 HydrophobicContact CB-CB 3.96Å; P668-A792 WeakPolarHBondContact O-CB 3.48Å; I671-A792 HydrophobicContact CB-CB 4.4Å; I671-A792 HydrophobicContact CG2-CB 4.36Å; T672-A792 WeakPolarHBondContact OG1-CA 3.42Å; M788-A792 PolarHBondContact O-N 3.08Å; M788-A792 VanDerWaalsContact O-N 3.14Å; I789-A792 PolarHBondContact O-N 2.98Å; A792-F796 WeakPolarHBondContact O-CB 3.42Å; A792-F796 PolarHBondContact O-N 3.35Å |
| 793 | V | 85.2 | Confident | 82.2 | Confident | 2.33333 Ų | 2.33333 | 21 Ų | 21 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.7 | -40.3 | 174 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | I789 A790 E791 R797 M900 F903 F934 P1049 | I789-V793 VanDerWaalsContact O-CG2 3.27Å; I789-V793 WeakPolarHBondContact O-CG2 3.44Å; I789-V793 PolarHBondContact O-N 3.23Å; I789-V793 VanDerWaalsContact O-N 3.11Å; A790-V793 PolarHBondContact O-N 3Å; E791-V793 VanDerWaalsContact C-N 3.25Å; E791-V793 PolarHBondContact O-N 3.19Å; V793-R797 VanDerWaalsContact CG1-NE 3.32Å; V793-R797 VanDerWaalsContact CG1-NH2 3.34Å; V793-R797 WeakPolarHBondContact O-CD 3.35Å; V793-R797 VanDerWaalsContact O-CG 3.24Å; V793-R797 WeakPolarHBondContact O-CG 3.4Å; V793-R797 PolarHBondContact O-N 3.23Å; V793-R797 VanDerWaalsContact O-N 3.11Å; V793-M900 HydrophobicContact CB-CE 4.46Å; V793-M900 HydrophobicContact CB-SD 4.44Å; V793-M900 HydrophobicContact CG1-CB 4.31Å; V793-M900 HydrophobicContact CG1-SD 4.39Å; V793-M900 HydrophobicContact CG2-CB 4.18Å; V793-M900 HydrophobicContact CG2-CE 3.93Å; V793-M900 HydrophobicContact CG2-CG 4.29Å; V793-M900 HydrophobicContact CG2-SD 4.19Å; V793-F903 HydrophobicContact CG2-CD2 4.02Å; V793-F903 HydrophobicContact CG2-CE2 3.9Å; V793-F934 HydrophobicContact CB-CD1 4.05Å; V793-F934 HydrophobicContact CB-CE1 4.24Å; V793-F934 HydrophobicContact CG1-CD1 3.85Å; V793-F934 HydrophobicContact CG1-CE1 4.31Å; V793-F934 HydrophobicContact CG2-CE1 4.45Å; V793-P1049 HydrophobicContact CG1-CB 4.03Å; V793-P1049 HydrophobicContact CG1-CG 4.38Å |
| 794 | G | 83 | Confident | 83.1 | Confident | 8.33333 Ų | 8.33333 | 20.9 Ų | 20.9 | 9% | 0.086 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A790 E791 R797 R798 L933 | A790-G794 PolarHBondContact O-N 3.11Å; E791-G794 CarbonylContact O-C 3.59Å; E791-G794 WeakPolarHBondContact O-CA 3.38Å; E791-G794 PolarHBondContact O-N 3.15Å; G794-R797 WeakPolarHBondContact O-CB 3.36Å; G794-R797 PolarHBondContact O-N 3.21Å; G794-R798 PolarHBondContact O-N 3.32Å; G794-L933 VanDerWaalsContact CA-O 3.32Å; G794-L933 WeakPolarHBondContact CA-O 3.34Å |
| 795 | Q | 85.1 | Confident | 83.6 | Confident | 40 Ų | 40 | 17.1 Ų | 17.1 | 19% | 0.187 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70.6 | -37.7 | 179 | -59.7 | -72.8 | 19.8 | 0 | 0 | 111.6 | T672 E791 R797 R798 F799 | T672-Q795 HydrophobicContact CG2-CG 4.02Å; E791-Q795 HydrophobicContact CG-CG 4.02Å; E791-Q795 VanDerWaalsContact O-CG 3.3Å; E791-Q795 WeakPolarHBondContact O-CG 3.43Å; E791-Q795 PolarHBondContact O-N 3.24Å; E791-Q795 PolarHBondContact OE1-NE2 2.72Å; E791-Q795 VanDerWaalsContact OE1-NE2 3.15Å; Q795-R797 VanDerWaalsContact C-N 3.32Å; Q795-R797 PolarHBondContact O-N 2.96Å; Q795-R798 WeakPolarHBondContact O-CB 3.43Å; Q795-R798 PolarHBondContact O-N 3.27Å; Q795-R798 VanDerWaalsContact O-N 3.16Å; Q795-F799 PolarHBondContact O-N 3.27Å |
| 796 | F | 88.6 | Confident | 83.8 | Confident | 1.33333 Ų | 1.33333 | 18.7 Ų | 18.7 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 172.7 | -165.9 | -93.3 | 0 | 0 | 0 | 112.5 | I671 T675 L720 A792 F799 L800 I893 L896 I897 M900 | I671-F796 HydrophobicContact CG2-CB 4.4Å; I671-F796 HydrophobicContact CG2-CD2 4.33Å; T675-F796 HydrophobicContact CG2-CB 4.37Å; T675-F796 HydrophobicContact CG2-CD2 3.65Å; T675-F796 HydrophobicContact CG2-CE2 4.4Å; T675-F796 HydrophobicContact CG2-CG 4.43Å; L720-F796 HydrophobicContact CD1-CE2 4.17Å; A792-F796 WeakPolarHBondContact O-CB 3.42Å; A792-F796 PolarHBondContact O-N 3.35Å; F796-F799 HydrophobicContact CD2-CD1 4.3Å; F796-F799 HydrophobicContact CE2-CD1 4.14Å; F796-F799 HydrophobicContact CE2-CE1 4.41Å; F796-F799 WeakPolarHBondContact O-CB 3.34Å; F796-F799 PolarHBondContact O-N 3.3Å; F796-L800 PolarHBondContact O-N 2.96Å; F796-L800 VanDerWaalsContact O-N 3.14Å; F796-I893 HydrophobicContact CE1-CG2 4.08Å; F796-I893 HydrophobicContact CZ-CG2 4.11Å; F796-L896 HydrophobicContact CE1-CB 3.71Å; F796-L896 HydrophobicContact CE2-CD1 4.31Å; F796-L896 HydrophobicContact CZ-CB 3.65Å; F796-L896 HydrophobicContact CZ-CD1 3.72Å; F796-L896 HydrophobicContact CZ-CG 4.35Å; F796-I897 HydrophobicContact CD1-CD1 4Å; F796-I897 HydrophobicContact CD1-CG1 3.86Å; F796-I897 HydrophobicContact CE1-CD1 4.16Å; F796-I897 HydrophobicContact CE1-CG1 3.76Å; F796-M900 HydrophobicContact CB-CE 3.76Å; F796-M900 HydrophobicContact CB-SD 3.7Å; F796-M900 HydrophobicContact CD1-CE 3.94Å; F796-M900 HydrophobicContact CD1-SD 3.58Å; F796-M900 WeakPolarHBondContact CD1-SD 3.32Å; F796-M900 HydrophobicContact CD2-CE 3.68Å; F796-M900 HydrophobicContact CD2-SD 4.38Å; F796-M900 HydrophobicContact CE1-CE 4.32Å; F796-M900 HydrophobicContact CE1-SD 4.16Å; F796-M900 HydrophobicContact CE2-CE 4.32Å; F796-M900 HydrophobicContact CG-CE 3.76Å; F796-M900 VanDerWaalsContact CG-CE 3.48Å; F796-M900 HydrophobicContact CG-SD 3.64Å |
| 797 | R | 88.5 | Confident | 84 | Confident | 6.66667 Ų | 6.66667 | 19.7 Ų | 19.7 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 169.8 | -72.6 | 166.1 | -175.6 | -166.4 | 2.7 | 111.6 | V793 G794 Q795 F799 L800 G801 F934 W952 P1049 V1050 | V793-R797 VanDerWaalsContact CG1-NE 3.32Å; V793-R797 VanDerWaalsContact CG1-NH2 3.34Å; V793-R797 WeakPolarHBondContact O-CD 3.35Å; V793-R797 VanDerWaalsContact O-CG 3.24Å; V793-R797 WeakPolarHBondContact O-CG 3.4Å; V793-R797 PolarHBondContact O-N 3.23Å; V793-R797 VanDerWaalsContact O-N 3.11Å; G794-R797 WeakPolarHBondContact O-CB 3.36Å; G794-R797 PolarHBondContact O-N 3.21Å; Q795-R797 VanDerWaalsContact C-N 3.32Å; Q795-R797 PolarHBondContact O-N 2.96Å; R797-F799 VanDerWaalsContact C-N 3.28Å; R797-F799 PolarHBondContact O-N 3.12Å; R797-L800 WeakPolarHBondContact O-CB 3.28Å; R797-L800 PolarHBondContact O-N 3.37Å; R797-L800 VanDerWaalsContact O-N 3.12Å; R797-G801 PolarHBondContact O-N 3.15Å; R797-F934 WeakPolarHBondContact CD-O 3.33Å; R797-F934 VanDerWaalsContact CZ-O 3.32Å; R797-F934 PolarHBondContact NE-O 3.34Å; R797-F934 PolarHBondContact NH1-O 3.01Å; R797-W952 HydrophobicContact CB-CB 4.48Å; R797-W952 HydrophobicContact CB-CD2 4.02Å; R797-W952 HydrophobicContact CB-CG 3.87Å; R797-W952 HydrophobicContact CG-CD2 4.15Å; R797-W952 HydrophobicContact CG-CG 4.5Å; R797-W952 HydrophobicContact CG-CZ2 4.32Å; R797-W952 WeakPolarHBondContact O-CB 3.35Å; R797-P1049 PolarHBondContact NH2-O 3.28Å; R797-V1050 PolarHBondContact NH1-O 3.12Å; R797-V1050 VanDerWaalsContact NH1-O 3.1Å |
| 798 | R | 86 | Confident | 84.2 | Confident | 81.6667 Ų | 81.6667 | 18.4 Ų | 18.4 | 31% | 0.308 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -55.3 | -44 | 174.1 | -173.5 | -176.6 | -176.2 | 121.2 | 8.6 | 111.4 | G794 Q795 L800 G801 I802 E837 | G794-R798 PolarHBondContact O-N 3.32Å; Q795-R798 WeakPolarHBondContact O-CB 3.43Å; Q795-R798 PolarHBondContact O-N 3.27Å; Q795-R798 VanDerWaalsContact O-N 3.16Å; R798-L800 PolarHBondContact O-N 3.13Å; R798-G801 PolarHBondContact O-N 3.05Å; R798-G801 VanDerWaalsContact O-N 3.15Å; R798-I802 HydrophobicContact CG-CD1 4.16Å; R798-I802 PolarHBondContact O-N 3.19Å; R798-I802 VanDerWaalsContact O-N 3.15Å; R798-E837 IonicContact CZ-OE2 3.18Å; R798-E837 IonicContact NH1-OE1 2.66Å; R798-E837 IonicContact NH1-OE2 2.69Å; R798-E837 PolarHBondContact NH1-OE2 3.12Å; R798-E837 PolarHBondContact NH2-O 3.48Å; R798-E837 IonicContact NH2-OE1 2.69Å; R798-E837 PolarHBondContact NH2-OE1 3.43Å; R798-E837 VanDerWaalsContact NH2-OE1 3.13Å; R798-E837 IonicContact NH2-OE2 3.39Å; R798-E837 PolarHBondContact NH2-OE2 3.23Å |
| 799 | F | 88.4 | Confident | 84.2 | Confident | 1.66667 Ų | 1.66667 | 23.3 Ų | 23.3 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 175.5 | 165.4 | -106 | 0 | 0 | 0 | 112.9 | T675 L678 V679 L682 W713 Q795 F796 R797 G801 I802 F803 I893 | T675-F799 HydrophobicContact CG2-CB 4.17Å; T675-F799 HydrophobicContact CG2-CD1 4.46Å; T675-F799 HydrophobicContact CG2-CG 4.34Å; L678-F799 HydrophobicContact CB-CD2 4.13Å; L678-F799 HydrophobicContact CB-CE2 3.82Å; L678-F799 HydrophobicContact CD1-CE2 4.14Å; L678-F799 HydrophobicContact CD1-CZ 4.27Å; V679-F799 HydrophobicContact CG2-CB 4.14Å; V679-F799 HydrophobicContact CG2-CD2 4.14Å; L682-F799 HydrophobicContact CD1-CE2 4.14Å; W713-F799 HydrophobicContact CZ3-CE2 4.43Å; W713-F799 HydrophobicContact CZ3-CZ 4.12Å; Q795-F799 PolarHBondContact O-N 3.27Å; F796-F799 HydrophobicContact CD2-CD1 4.3Å; F796-F799 HydrophobicContact CE2-CD1 4.14Å; F796-F799 HydrophobicContact CE2-CE1 4.41Å; F796-F799 WeakPolarHBondContact O-CB 3.34Å; F796-F799 PolarHBondContact O-N 3.3Å; R797-F799 VanDerWaalsContact C-N 3.28Å; R797-F799 PolarHBondContact O-N 3.12Å; F799-G801 VanDerWaalsContact C-N 3.34Å; F799-G801 PolarHBondContact O-N 3.08Å; F799-I802 PolarHBondContact O-N 3.16Å; F799-F803 HydrophobicContact CE2-CB 4.47Å; F799-F803 HydrophobicContact CZ-CB 4.41Å; F799-F803 HydrophobicContact CZ-CD2 4.16Å; F799-F803 VanDerWaalsContact O-CB 3.3Å; F799-F803 WeakPolarHBondContact O-CB 3.34Å; F799-F803 PolarHBondContact O-N 3.33Å; F799-I893 HydrophobicContact CE1-CD1 3.88Å; F799-I893 HydrophobicContact CE1-CG1 4.23Å; F799-I893 HydrophobicContact CE1-CG2 4.33Å; F799-I893 HydrophobicContact CZ-CD1 4.15Å |
| 800 | L | 88.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.8 | -47 | 173.7 | 175.4 | 75.1 | 0 | 0 | 0 | 112.1 | F796 R797 R798 I802 F803 C804 F890 I893 I897 W952 L956 | F796-L800 PolarHBondContact O-N 2.96Å; F796-L800 VanDerWaalsContact O-N 3.14Å; R797-L800 WeakPolarHBondContact O-CB 3.28Å; R797-L800 PolarHBondContact O-N 3.37Å; R797-L800 VanDerWaalsContact O-N 3.12Å; R798-L800 PolarHBondContact O-N 3.13Å; L800-I802 VanDerWaalsContact C-N 3.29Å; L800-I802 PolarHBondContact O-N 2.99Å; L800-F803 PolarHBondContact O-N 3.06Å; L800-C804 WeakPolarHBondContact O-CB 3.3Å; L800-C804 PolarHBondContact O-N 3.11Å; L800-C804 PolarHBondContact O-SG 2.82Å; L800-F890 HydrophobicContact CD1-CD2 4.4Å; L800-F890 HydrophobicContact CD1-CE2 4.07Å; L800-I893 HydrophobicContact CB-CG2 4.35Å; L800-I893 HydrophobicContact CD1-CG2 3.75Å; L800-I897 HydrophobicContact CB-CD1 3.76Å; L800-I897 HydrophobicContact CD1-CD1 3.79Å; L800-I897 HydrophobicContact CD2-CD1 3.33Å; L800-I897 VanDerWaalsContact CD2-CD1 3.45Å; L800-I897 HydrophobicContact CG-CD1 3.87Å; L800-W952 HydrophobicContact CB-CB 4.43Å; L800-W952 HydrophobicContact CD2-CB 4.16Å; L800-W952 HydrophobicContact CD2-CE3 4.14Å; L800-L956 HydrophobicContact CD2-CD1 3.92Å; L800-L956 HydrophobicContact CD2-CD2 4.04Å; L800-L956 HydrophobicContact CD2-CG 3.81Å |
| 801 | G | 84.8 | Confident | 84.3 | Confident | 0.75 Ų | 0.75 | 25.8 Ų | 25.8 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R797 R798 F799 C804 I805 | R797-G801 PolarHBondContact O-N 3.15Å; R798-G801 PolarHBondContact O-N 3.05Å; R798-G801 VanDerWaalsContact O-N 3.15Å; F799-G801 VanDerWaalsContact C-N 3.34Å; F799-G801 PolarHBondContact O-N 3.08Å; G801-C804 PolarHBondContact O-N 2.96Å; G801-I805 WeakPolarHBondContact O-CG1 3.38Å; G801-I805 PolarHBondContact O-N 3.16Å; G801-I805 VanDerWaalsContact O-N 3.16Å |
| 802 | I | 84.6 | Confident | 84.2 | Confident | 9.5 Ų | 9.5 | 25.3 Ų | 25.3 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.7 | -38.2 | 178.5 | -65.2 | 178.1 | 0 | 0 | 0 | 111.1 | V679 L682 R798 F799 L800 C804 I805 H806 | V679-I802 HydrophobicContact CB-CD1 4.32Å; V679-I802 HydrophobicContact CG1-CD1 3.51Å; V679-I802 VanDerWaalsContact CG1-CD1 3.48Å; V679-I802 HydrophobicContact CG1-CG2 4.46Å; V679-I802 HydrophobicContact CG2-CB 4.38Å; V679-I802 HydrophobicContact CG2-CD1 3.87Å; V679-I802 HydrophobicContact CG2-CG2 4.34Å; L682-I802 HydrophobicContact CB-CG2 4.17Å; L682-I802 HydrophobicContact CD1-CG2 4.26Å; R798-I802 HydrophobicContact CG-CD1 4.16Å; R798-I802 PolarHBondContact O-N 3.19Å; R798-I802 VanDerWaalsContact O-N 3.15Å; F799-I802 PolarHBondContact O-N 3.16Å; L800-I802 VanDerWaalsContact C-N 3.29Å; L800-I802 PolarHBondContact O-N 2.99Å; I802-C804 VanDerWaalsContact C-N 3.34Å; I802-C804 PolarHBondContact O-N 3.32Å; I802-I805 PolarHBondContact O-N 3.06Å; I802-H806 WeakPolarHBondContact O-CB 3.33Å; I802-H806 PolarHBondContact O-CD2 3.12Å; I802-H806 VanDerWaalsContact O-CD2 3.3Å; I802-H806 PolarHBondContact O-N 3.16Å |
| 803 | F | 86.1 | Confident | 84 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 172.2 | -179.4 | -86.4 | 0 | 0 | 0 | 111.9 | W713 F799 L800 I805 V807 L808 L889 F890 I893 | W713-F803 HydrophobicContact CH2-CD2 4.45Å; W713-F803 HydrophobicContact CZ3-CD2 4.47Å; W713-F803 HydrophobicContact CZ3-CE2 4.46Å; F799-F803 HydrophobicContact CE2-CB 4.47Å; F799-F803 HydrophobicContact CZ-CB 4.41Å; F799-F803 HydrophobicContact CZ-CD2 4.16Å; F799-F803 VanDerWaalsContact O-CB 3.3Å; F799-F803 WeakPolarHBondContact O-CB 3.34Å; F799-F803 PolarHBondContact O-N 3.33Å; L800-F803 PolarHBondContact O-N 3.06Å; F803-I805 VanDerWaalsContact C-N 3.33Å; F803-I805 PolarHBondContact O-N 3.36Å; F803-V807 HydrophobicContact CD1-CB 4.41Å; F803-V807 HydrophobicContact CD2-CB 3.97Å; F803-V807 HydrophobicContact CD2-CG1 4.35Å; F803-V807 HydrophobicContact CD2-CG2 3.67Å; F803-V807 HydrophobicContact CE1-CB 4.36Å; F803-V807 HydrophobicContact CE1-CG1 4.43Å; F803-V807 HydrophobicContact CE2-CB 3.92Å; F803-V807 HydrophobicContact CE2-CG1 3.79Å; F803-V807 HydrophobicContact CE2-CG2 3.92Å; F803-V807 HydrophobicContact CG-CB 4.22Å; F803-V807 HydrophobicContact CG-CG2 4.18Å; F803-V807 HydrophobicContact CZ-CB 4.12Å; F803-V807 HydrophobicContact CZ-CG1 3.84Å; F803-V807 WeakPolarHBondContact O-CA 3.38Å; F803-V807 VanDerWaalsContact O-CB 3.23Å; F803-V807 WeakPolarHBondContact O-CB 3.23Å; F803-V807 PolarHBondContact O-N 2.79Å; F803-L808 HydrophobicContact CD1-CD1 4.46Å; F803-L808 HydrophobicContact CD1-CG 4.34Å; F803-L808 HydrophobicContact CE1-CD1 4.22Å; F803-L808 HydrophobicContact CE1-CD2 4.23Å; F803-L808 HydrophobicContact CE1-CG 4.01Å; F803-L808 PolarHBondContact O-N 3.21Å; F803-L889 HydrophobicContact CZ-CB 4.22Å; F803-F890 HydrophobicContact CD1-CD2 4.49Å; F803-F890 HydrophobicContact CE1-CB 4.17Å; F803-F890 HydrophobicContact CE1-CD2 4.28Å; F803-I893 HydrophobicContact CB-CD1 4.44Å; F803-I893 HydrophobicContact CD1-CD1 3.92Å; F803-I893 HydrophobicContact CD2-CD1 3.64Å; F803-I893 HydrophobicContact CE1-CD1 3.92Å; F803-I893 HydrophobicContact CE2-CD1 3.63Å; F803-I893 HydrophobicContact CG-CD1 3.79Å; F803-I893 HydrophobicContact CZ-CD1 3.78Å |
| 804 | C | 85.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 177.2 | -73.6 | 0 | 0 | 0 | 0 | 112.8 | L800 G801 I802 L808 N809 F810 C955 | L800-C804 WeakPolarHBondContact O-CB 3.3Å; L800-C804 PolarHBondContact O-N 3.11Å; L800-C804 PolarHBondContact O-SG 2.82Å; G801-C804 PolarHBondContact O-N 2.96Å; I802-C804 VanDerWaalsContact C-N 3.34Å; I802-C804 PolarHBondContact O-N 3.32Å; C804-L808 CarbonylContact O-C 3.44Å; C804-L808 WeakPolarHBondContact O-CB 3.33Å; C804-L808 PolarHBondContact O-N 2.89Å; C804-N809 PolarHBondContact O-N 3.29Å; C804-F810 HydrophobicContact CB-CD2 3.62Å; C804-F810 HydrophobicContact CB-CE2 3.67Å; C804-F810 HydrophobicContact CB-CG 4.35Å; C804-F810 HydrophobicContact CB-CZ 4.44Å; C804-F810 WeakPolarHBondContact O-CB 3.4Å; C804-F810 WeakPolarHBondContact O-CG 3.41Å; C804-F810 PolarHBondContact O-N 3.26Å; C804-F810 VanDerWaalsContact O-N 3.13Å; C804-C955 HydrophobicContact CB-CB 3.61Å |
| 805 | I | 83.2 | Confident | 83.8 | Confident | 27.5 Ų | 27.5 | 34.5 Ų | 34.5 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.3 | -49 | 178.9 | -66.7 | 166.4 | 0 | 0 | 0 | 111.4 | G801 I802 F803 N809 M815 Q951 | G801-I805 WeakPolarHBondContact O-CG1 3.38Å; G801-I805 PolarHBondContact O-N 3.16Å; G801-I805 VanDerWaalsContact O-N 3.16Å; I802-I805 PolarHBondContact O-N 3.06Å; F803-I805 VanDerWaalsContact C-N 3.33Å; F803-I805 PolarHBondContact O-N 3.36Å; I805-N809 VanDerWaalsContact O-CA 3.26Å; I805-N809 WeakPolarHBondContact O-CA 3.38Å; I805-N809 PolarHBondContact O-N 3.13Å; I805-M815 HydrophobicContact CD1-CE 4.21Å; I805-M815 HydrophobicContact CG1-CE 3.99Å; I805-M815 HydrophobicContact CG1-SD 4.32Å; I805-Q951 HydrophobicContact CD1-CG 4.3Å; I805-Q951 VanDerWaalsContact CD1-NE2 3.29Å |
| 806 | H | 80.5 | Confident | 83.6 | Confident | 50.25 Ų | 50.25 | 35.3 Ų | 35.3 | 23% | 0.233 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -94.8 | -17.4 | -169.8 | -65.3 | -95.3 | 0 | 0 | 0 | 115.3 | L682 Y686 I802 | L682-H806 HydrophobicContact CB-CB 4.17Å; L682-H806 HydrophobicContact CD2-CB 4.36Å; L682-H806 PolarHBondContact O-ND1 2.87Å; Y686-H806 AromaticContact CD2-ND1 3.76Å; Y686-H806 AromaticContact CG-CE1 3.83Å; Y686-H806 AromaticContact CG-ND1 3.78Å; I802-H806 WeakPolarHBondContact O-CB 3.33Å; I802-H806 PolarHBondContact O-CD2 3.12Å; I802-H806 VanDerWaalsContact O-CD2 3.3Å; I802-H806 PolarHBondContact O-N 3.16Å |
| 807 | V | 79.7 | Confident | 83.2 | Confident | 30.75 Ų | 30.75 | 39.1 Ų | 39.1 | 19% | 0.186 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -36.3 | 179.6 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | L682 W713 F803 | L682-V807 HydrophobicContact CD1-CG2 4.14Å; L682-V807 HydrophobicContact CD2-CG2 3.45Å; L682-V807 VanDerWaalsContact CD2-CG2 3.48Å; L682-V807 HydrophobicContact CG-CG2 4.44Å; W713-V807 HydrophobicContact CZ2-CG2 4.48Å; F803-V807 HydrophobicContact CD1-CB 4.41Å; F803-V807 HydrophobicContact CD2-CB 3.97Å; F803-V807 HydrophobicContact CD2-CG1 4.35Å; F803-V807 HydrophobicContact CD2-CG2 3.67Å; F803-V807 HydrophobicContact CE1-CB 4.36Å; F803-V807 HydrophobicContact CE1-CG1 4.43Å; F803-V807 HydrophobicContact CE2-CB 3.92Å; F803-V807 HydrophobicContact CE2-CG1 3.79Å; F803-V807 HydrophobicContact CE2-CG2 3.92Å; F803-V807 HydrophobicContact CG-CB 4.22Å; F803-V807 HydrophobicContact CG-CG2 4.18Å; F803-V807 HydrophobicContact CZ-CB 4.12Å; F803-V807 HydrophobicContact CZ-CG1 3.84Å; F803-V807 WeakPolarHBondContact O-CA 3.38Å; F803-V807 VanDerWaalsContact O-CB 3.23Å; F803-V807 WeakPolarHBondContact O-CB 3.23Å; F803-V807 PolarHBondContact O-N 2.79Å |
| 808 | L | 81.4 | Confident | 83 | Confident | 27.5 Ų | 27.5 | 39.1 Ų | 39.1 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -96.3 | 1.6 | 174.4 | -53.5 | -179.8 | 0 | 0 | 0 | 113.4 | F803 C804 F810 C886 F890 I968 | F803-L808 HydrophobicContact CD1-CD1 4.46Å; F803-L808 HydrophobicContact CD1-CG 4.34Å; F803-L808 HydrophobicContact CE1-CD1 4.22Å; F803-L808 HydrophobicContact CE1-CD2 4.23Å; F803-L808 HydrophobicContact CE1-CG 4.01Å; F803-L808 PolarHBondContact O-N 3.21Å; C804-L808 CarbonylContact O-C 3.44Å; C804-L808 WeakPolarHBondContact O-CB 3.33Å; C804-L808 PolarHBondContact O-N 2.89Å; L808-F810 VanDerWaalsContact C-N 3.33Å; L808-F810 HydrophobicContact CB-CD1 3.84Å; L808-F810 HydrophobicContact CB-CE1 3.48Å; L808-F810 VanDerWaalsContact CB-CE1 3.48Å; L808-F810 HydrophobicContact CB-CZ 4.05Å; L808-F810 HydrophobicContact CD1-CE1 4.06Å; L808-F810 HydrophobicContact CD1-CZ 3.8Å; L808-F810 HydrophobicContact CG-CE1 4.43Å; L808-F810 WeakPolarHBondContact O-CD1 3.3Å; L808-F810 PolarHBondContact O-N 3.13Å; L808-C886 HydrophobicContact CD2-CB 4.24Å; L808-F890 HydrophobicContact CD1-CB 4.34Å; L808-F890 HydrophobicContact CD1-CD2 3.62Å; L808-F890 HydrophobicContact CD1-CE2 4.02Å; L808-F890 HydrophobicContact CD1-CG 3.95Å; L808-I968 HydrophobicContact CD1-CG2 4.46Å |
| 809 | N | 80.2 | Confident | 82.8 | Confident | 131.25 Ų | 131.25 | 36.6 Ų | 36.6 | 70% | 0.702 | 20% | 0.195 | S | C | * | . | trans | 55.1 | 38.9 | 176.9 | -65.1 | -7.2 | 0 | 0 | 0 | 114.3 | C804 I805 S811 | C804-N809 PolarHBondContact O-N 3.29Å; I805-N809 VanDerWaalsContact O-CA 3.26Å; I805-N809 WeakPolarHBondContact O-CA 3.38Å; I805-N809 PolarHBondContact O-N 3.13Å; N809-S811 PolarHBondContact O-N 2.99Å | ||
| 810 | F | 83.9 | Confident | 82.4 | Confident | 8.75 Ų | 8.75 | 42.8 Ų | 42.8 | 4% | 0.038 | 22% | 0.224 | C | C | . | . | trans | -69.6 | 117.3 | 175.1 | -66.4 | 2.1 | 0 | 0 | 0 | 110.3 | C804 L808 P812 M815 C955 Y958 A959 L963 I968 | C804-F810 HydrophobicContact CB-CD2 3.62Å; C804-F810 HydrophobicContact CB-CE2 3.67Å; C804-F810 HydrophobicContact CB-CG 4.35Å; C804-F810 HydrophobicContact CB-CZ 4.44Å; C804-F810 WeakPolarHBondContact O-CB 3.4Å; C804-F810 WeakPolarHBondContact O-CG 3.41Å; C804-F810 PolarHBondContact O-N 3.26Å; C804-F810 VanDerWaalsContact O-N 3.13Å; L808-F810 VanDerWaalsContact C-N 3.33Å; L808-F810 HydrophobicContact CB-CD1 3.84Å; L808-F810 HydrophobicContact CB-CE1 3.48Å; L808-F810 VanDerWaalsContact CB-CE1 3.48Å; L808-F810 HydrophobicContact CB-CZ 4.05Å; L808-F810 HydrophobicContact CD1-CE1 4.06Å; L808-F810 HydrophobicContact CD1-CZ 3.8Å; L808-F810 HydrophobicContact CG-CE1 4.43Å; L808-F810 WeakPolarHBondContact O-CD1 3.3Å; L808-F810 PolarHBondContact O-N 3.13Å; F810-P812 WeakPolarHBondContact O-CD 3.49Å; F810-M815 HydrophobicContact CB-CE 4.15Å; F810-M815 HydrophobicContact CB-SD 3.96Å; F810-M815 HydrophobicContact CD2-SD 4.31Å; F810-C955 HydrophobicContact CD2-CB 4.25Å; F810-C955 HydrophobicContact CE2-CB 4.34Å; F810-Y958 HydrophobicContact CB-CD1 4.36Å; F810-Y958 HydrophobicContact CB-CE1 4.33Å; F810-Y958 HydrophobicContact CD1-CD1 4.46Å; F810-Y958 HydrophobicContact CD1-CE1 4.38Å; F810-Y958 AromaticContact CD2-CD1 3.84Å; F810-Y958 HydrophobicContact CD2-CD1 3.84Å; F810-Y958 HydrophobicContact CD2-CE1 4.35Å; F810-Y958 HydrophobicContact CE2-CD1 4.31Å; F810-Y958 AromaticContact CG-CD1 3.95Å; F810-Y958 HydrophobicContact CG-CD1 4.01Å; F810-Y958 HydrophobicContact CG-CE1 4.16Å; F810-A959 HydrophobicContact CE2-CB 3.92Å; F810-A959 HydrophobicContact CZ-CB 3.9Å; F810-L963 HydrophobicContact CD1-CD2 4.37Å; F810-L963 HydrophobicContact CE1-CD1 3.73Å; F810-L963 HydrophobicContact CE1-CD2 4.2Å; F810-L963 HydrophobicContact CE1-CG 4.46Å; F810-L963 HydrophobicContact CZ-CD1 3.72Å; F810-I968 HydrophobicContact CZ-CG2 4.38Å | ||
| 811 | S | 80.5 | Confident | 82 | Confident | 45.5 Ų | 45.5 | 48 Ų | 48 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | trans | -69.7 | 122.7 | 178.8 | 176 | 0 | 0 | 0 | 0 | 110.9 | N809 V813 K814 M815 | N809-S811 PolarHBondContact O-N 2.99Å; S811-V813 PolarHBondContact O-N 3.23Å; S811-V813 PolarHBondContact OG-N 3.27Å; S811-K814 PolarHBondContact O-N 3.09Å; S811-K814 VanDerWaalsContact O-N 3.14Å; S811-M815 WeakPolarHBondContact O-CG 3.41Å; S811-M815 PolarHBondContact O-N 3.03Å; S811-M815 VanDerWaalsContact O-N 3.09Å | ||
| 812 | P | 78.9 | Confident | 81.7 | Confident | 54 Ų | 54 | 48.5 Ų | 48.5 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.2 | -27.3 | 179.2 | 25.6 | -33.9 | 0 | 0 | 0 | 112.6 | F810 M815 N816 I834 | F810-P812 WeakPolarHBondContact O-CD 3.49Å; P812-M815 HydrophobicContact CB-CE 4.41Å; P812-M815 PolarHBondContact O-N 3.14Å; P812-N816 PolarHBondContact O-N 3.3Å; P812-N816 PolarHBondContact O-ND2 3.1Å; P812-N816 VanDerWaalsContact O-ND2 3.15Å; P812-I834 HydrophobicContact CB-CD1 3.94Å |
| 813 | V | 81.2 | Confident | 81.3 | Confident | 92.25 Ų | 92.25 | 49.5 Ų | 49.5 | 56% | 0.559 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.7 | -51.6 | 173.5 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | S811 M815 N816 E817 | S811-V813 PolarHBondContact O-N 3.23Å; S811-V813 PolarHBondContact OG-N 3.27Å; V813-M815 VanDerWaalsContact C-N 3.29Å; V813-M815 PolarHBondContact O-N 3.43Å; V813-N816 PolarHBondContact O-N 3.09Å; V813-N816 VanDerWaalsContact O-N 3.13Å; V813-E817 PolarHBondContact O-N 3.24Å |
| 814 | K | 82.9 | Confident | 80.3 | Confident | 111.25 Ų | 111.25 | 52.7 Ų | 52.7 | 48% | 0.484 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -34.7 | 176.9 | -66 | -168.9 | 175.3 | -169.7 | 0 | 112.7 | S811 F818 Y958 | S811-K814 PolarHBondContact O-N 3.09Å; S811-K814 VanDerWaalsContact O-N 3.14Å; K814-F818 WeakPolarHBondContact O-CB 3.37Å; K814-F818 PolarHBondContact O-N 3.06Å; K814-Y958 HydrophobicContact CB-CE2 4.04Å |
| 815 | M | 82 | Confident | 78.8 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 174.4 | -67.1 | -177.9 | 3.4 | 0 | 0 | 112.3 | I805 F810 S811 P812 V813 F818 I819 I834 V954 C955 Y958 | I805-M815 HydrophobicContact CD1-CE 4.21Å; I805-M815 HydrophobicContact CG1-CE 3.99Å; I805-M815 HydrophobicContact CG1-SD 4.32Å; F810-M815 HydrophobicContact CB-CE 4.15Å; F810-M815 HydrophobicContact CB-SD 3.96Å; F810-M815 HydrophobicContact CD2-SD 4.31Å; S811-M815 WeakPolarHBondContact O-CG 3.41Å; S811-M815 PolarHBondContact O-N 3.03Å; S811-M815 VanDerWaalsContact O-N 3.09Å; P812-M815 HydrophobicContact CB-CE 4.41Å; P812-M815 PolarHBondContact O-N 3.14Å; V813-M815 VanDerWaalsContact C-N 3.29Å; V813-M815 PolarHBondContact O-N 3.43Å; M815-F818 WeakPolarHBondContact O-CB 3.4Å; M815-F818 PolarHBondContact O-N 3.2Å; M815-I819 WeakPolarHBondContact O-CG1 3.39Å; M815-I819 PolarHBondContact O-N 3.03Å; M815-I819 VanDerWaalsContact O-N 3.09Å; M815-I834 HydrophobicContact CB-CD1 3.92Å; M815-I834 HydrophobicContact CE-CD1 4.41Å; M815-V954 HydrophobicContact CB-CG1 4.13Å; M815-V954 HydrophobicContact CE-CB 4.19Å; M815-V954 HydrophobicContact CE-CG1 3.85Å; M815-V954 HydrophobicContact SD-CG1 4.23Å; M815-C955 WeakPolarHBondContact CE-SG 3.34Å; M815-C955 VanDerWaalsContact SD-SG 3.67Å; M815-Y958 HydrophobicContact CG-CD1 3.93Å; M815-Y958 HydrophobicContact CG-CD2 4.09Å; M815-Y958 HydrophobicContact CG-CE1 4.34Å; M815-Y958 HydrophobicContact CG-CE2 4.44Å; M815-Y958 HydrophobicContact CG-CG 3.78Å; M815-Y958 HydrophobicContact SD-CD1 4.32Å; M815-Y958 HydrophobicContact SD-CG 4.39Å |
| 816 | N | 79.9 | Confident | 76.9 | Confident | 58.5 Ų | 58.5 | 62.2 Ų | 62.2 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.8 | -46.6 | 175.1 | -77.2 | -28.1 | 0 | 0 | 0 | 112 | P812 V813 F818 I819 Q820 I833 I834 | P812-N816 PolarHBondContact O-N 3.3Å; P812-N816 PolarHBondContact O-ND2 3.1Å; P812-N816 VanDerWaalsContact O-ND2 3.15Å; V813-N816 PolarHBondContact O-N 3.09Å; V813-N816 VanDerWaalsContact O-N 3.13Å; N816-F818 PolarHBondContact O-N 3.34Å; N816-I819 PolarHBondContact O-N 3.05Å; N816-I819 VanDerWaalsContact O-N 3.17Å; N816-Q820 WeakPolarHBondContact O-CG 3.4Å; N816-Q820 PolarHBondContact O-N 3.23Å; N816-I833 PolarHBondContact OD1-N 2.82Å; N816-I834 WeakPolarHBondContact ND2-CD1 3.42Å; N816-I834 WeakPolarHBondContact OD1-CG1 3.44Å |
| 817 | E | 80.9 | Confident | 74.7 | Confident | 81.25 Ų | 81.25 | 64.2 Ų | 64.2 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54.6 | -41.1 | 171.9 | -70.9 | 176.8 | -156.5 | 0 | 0 | 111.4 | V813 Q820 R821 | V813-E817 PolarHBondContact O-N 3.24Å; E817-Q820 CarbonylContact O-C 3.58Å; E817-Q820 WeakPolarHBondContact O-CB 3.26Å; E817-Q820 PolarHBondContact O-N 3Å; E817-R821 WeakPolarHBondContact O-CB 3.28Å; E817-R821 VanDerWaalsContact O-CG 3.3Å; E817-R821 WeakPolarHBondContact O-CG 3.33Å; E817-R821 PolarHBondContact O-N 3.02Å; E817-R821 PolarHBondContact O-NE 2.86Å; E817-R821 IonicContact OE2-CZ 3.25Å; E817-R821 IonicContact OE2-NH2 3.41Å; E817-R821 PolarHBondContact OE2-NH2 3.18Å |
| 818 | F | 83.7 | Confident | 72.4 | Confident | 6.25 Ų | 6.25 | 71.2 Ų | 71.2 | 3% | 0.027 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 179.3 | 166.8 | -102.7 | 0 | 0 | 0 | 113.1 | K814 M815 N816 Q820 R821 I822 L957 Y958 C961 D962 Y1068 | K814-F818 WeakPolarHBondContact O-CB 3.37Å; K814-F818 PolarHBondContact O-N 3.06Å; M815-F818 WeakPolarHBondContact O-CB 3.4Å; M815-F818 PolarHBondContact O-N 3.2Å; N816-F818 PolarHBondContact O-N 3.34Å; F818-Q820 VanDerWaalsContact C-N 3.33Å; F818-Q820 PolarHBondContact O-N 2.71Å; F818-R821 PolarHBondContact O-N 3.22Å; F818-I822 HydrophobicContact CD1-CD1 4.38Å; F818-I822 HydrophobicContact CD2-CD1 4.12Å; F818-I822 HydrophobicContact CE1-CD1 4Å; F818-I822 HydrophobicContact CE2-CD1 3.29Å; F818-I822 HydrophobicContact CE2-CG1 4.2Å; F818-I822 HydrophobicContact CZ-CD1 3.23Å; F818-I822 HydrophobicContact CZ-CG1 4.39Å; F818-I822 PolarHBondContact O-N 2.83Å; F818-L957 VanDerWaalsContact CE1-C 3.49Å; F818-L957 HydrophobicContact CE1-CB 3.82Å; F818-L957 VanDerWaalsContact CZ-C 3.42Å; F818-L957 HydrophobicContact CZ-CB 4.18Å; F818-L957 VanDerWaalsContact CZ-O 3.27Å; F818-L957 WeakPolarHBondContact CZ-O 3.31Å; F818-Y958 HydrophobicContact CB-CD2 3.82Å; F818-Y958 HydrophobicContact CB-CE2 4.24Å; F818-Y958 AromaticContact CD1-CD2 3.91Å; F818-Y958 HydrophobicContact CD1-CD2 3.91Å; F818-Y958 HydrophobicContact CD1-CG 4.47Å; F818-Y958 HydrophobicContact CD2-CD2 4.31Å; F818-Y958 VanDerWaalsContact CE1-CA 3.45Å; F818-Y958 VanDerWaalsContact CE1-N 3.31Å; F818-Y958 AromaticContact CG-CD2 3.74Å; F818-Y958 HydrophobicContact CG-CD2 3.74Å; F818-Y958 HydrophobicContact CG-CE2 4.42Å; F818-C961 HydrophobicContact CD2-CB 4.38Å; F818-C961 HydrophobicContact CE2-CB 3.25Å; F818-C961 HydrophobicContact CZ-CB 3.52Å; F818-C961 VanDerWaalsContact CZ-CB 3.45Å; F818-D962 HydrophobicContact CD2-CB 4.14Å; F818-D962 HydrophobicContact CE2-CB 4.42Å; F818-Y1068 HydrophobicContact CE2-CD1 4.43Å; F818-Y1068 HydrophobicContact CE2-CE1 4.18Å |
| 819 | I | 81.4 | Confident | 70.1 | Confident | 29.25 Ų | 29.25 | 78.1 Ų | 78.1 | 15% | 0.15 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 172.1 | -67.2 | 166 | 0 | 0 | 0 | 110.1 | M815 N816 R821 I822 C823 I833 I834 V954 | M815-I819 WeakPolarHBondContact O-CG1 3.39Å; M815-I819 PolarHBondContact O-N 3.03Å; M815-I819 VanDerWaalsContact O-N 3.09Å; N816-I819 PolarHBondContact O-N 3.05Å; N816-I819 VanDerWaalsContact O-N 3.17Å; I819-R821 VanDerWaalsContact C-N 3.28Å; I819-R821 PolarHBondContact O-N 3.26Å; I819-I822 PolarHBondContact O-N 3.24Å; I819-I822 VanDerWaalsContact O-N 3.1Å; I819-C823 PolarHBondContact O-N 3.36Å; I819-C823 VanDerWaalsContact O-N 3.14Å; I819-C823 PolarHBondContact O-SG 3.34Å; I819-I833 HydrophobicContact CD1-CB 4.5Å; I819-I833 HydrophobicContact CD1-CG2 4.37Å; I819-I833 HydrophobicContact CG2-CD1 3.9Å; I819-I833 HydrophobicContact CG2-CG2 4.24Å; I819-I834 HydrophobicContact CD1-CG1 4.46Å; I819-V954 HydrophobicContact CD1-CB 4.45Å; I819-V954 HydrophobicContact CD1-CG1 3.77Å; I819-V954 HydrophobicContact CD1-CG2 3.87Å; I819-V954 HydrophobicContact CG1-CG1 4.16Å; I819-V954 HydrophobicContact CG1-CG2 4.45Å |
| 820 | Q | 79.6 | Confident | 67.8 | Low | 131.25 Ų | 131.25 | 79.3 Ų | 79.3 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.4 | -34.9 | 178.7 | -70.7 | 174.6 | -17.4 | 0 | 0 | 112.6 | N816 E817 F818 I822 I833 | N816-Q820 WeakPolarHBondContact O-CG 3.4Å; N816-Q820 PolarHBondContact O-N 3.23Å; E817-Q820 CarbonylContact O-C 3.58Å; E817-Q820 WeakPolarHBondContact O-CB 3.26Å; E817-Q820 PolarHBondContact O-N 3Å; F818-Q820 VanDerWaalsContact C-N 3.33Å; F818-Q820 PolarHBondContact O-N 2.71Å; Q820-I822 VanDerWaalsContact C-N 3.31Å; Q820-I822 PolarHBondContact O-N 3.04Å; Q820-I833 HydrophobicContact CG-CD1 4.38Å |
| 821 | R | 80.5 | Confident | 65.3 | Low | 108.5 Ų | 108.5 | 81.8 Ų | 81.8 | 41% | 0.409 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.1 | -24 | 175 | -72.1 | 175.9 | -133.6 | 156.9 | 2.2 | 114 | E817 F818 I819 D962 Y1068 | E817-R821 WeakPolarHBondContact O-CB 3.28Å; E817-R821 VanDerWaalsContact O-CG 3.3Å; E817-R821 WeakPolarHBondContact O-CG 3.33Å; E817-R821 PolarHBondContact O-N 3.02Å; E817-R821 PolarHBondContact O-NE 2.86Å; E817-R821 IonicContact OE2-CZ 3.25Å; E817-R821 IonicContact OE2-NH2 3.41Å; E817-R821 PolarHBondContact OE2-NH2 3.18Å; F818-R821 PolarHBondContact O-N 3.22Å; I819-R821 VanDerWaalsContact C-N 3.28Å; I819-R821 PolarHBondContact O-N 3.26Å; R821-D962 IonicContact CZ-OD1 2.86Å; R821-D962 IonicContact CZ-OD2 2.65Å; R821-D962 VanDerWaalsContact NH1-CG 3.32Å; R821-D962 IonicContact NH1-OD1 2.86Å; R821-D962 PolarHBondContact NH1-OD1 3.19Å; R821-D962 IonicContact NH1-OD2 3.22Å; R821-D962 PolarHBondContact NH1-OD2 3.37Å; R821-D962 VanDerWaalsContact NH1-OD2 3.08Å; R821-D962 IonicContact NH2-OD1 3.49Å; R821-D962 IonicContact NH2-OD2 2.76Å; R821-D962 PolarHBondContact NH2-OD2 3.48Å; R821-Y1068 VanDerWaalsContact O-CE2 3.28Å; R821-Y1068 WeakPolarHBondContact O-CE2 3.3Å; R821-Y1068 PolarHBondContact O-OH 3.1Å |
| 822 | I | 78.8 | Confident | 63 | Low | 12 Ų | 12 | 85.9 Ų | 85.9 | 6% | 0.062 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -97.1 | -30.2 | -174.4 | -83.7 | -177.7 | 0 | 0 | 0 | 113.3 | F818 I819 Q820 T1063 N1064 L1065 Y1068 | F818-I822 HydrophobicContact CD1-CD1 4.38Å; F818-I822 HydrophobicContact CD2-CD1 4.12Å; F818-I822 HydrophobicContact CE1-CD1 4Å; F818-I822 HydrophobicContact CE2-CD1 3.29Å; F818-I822 HydrophobicContact CE2-CG1 4.2Å; F818-I822 HydrophobicContact CZ-CD1 3.23Å; F818-I822 HydrophobicContact CZ-CG1 4.39Å; F818-I822 PolarHBondContact O-N 2.83Å; I819-I822 PolarHBondContact O-N 3.24Å; I819-I822 VanDerWaalsContact O-N 3.1Å; Q820-I822 VanDerWaalsContact C-N 3.31Å; Q820-I822 PolarHBondContact O-N 3.04Å; I822-T1063 HydrophobicContact CG2-CG2 4.29Å; I822-T1063 CarbonylContact O-C 3.51Å; I822-T1063 VanDerWaalsContact O-CA 3.28Å; I822-T1063 WeakPolarHBondContact O-CA 3.3Å; I822-T1063 WeakPolarHBondContact O-CB 3.45Å; I822-N1064 PolarHBondContact O-N 3.14Å; I822-L1065 HydrophobicContact CD1-CD1 4.14Å; I822-L1065 HydrophobicContact CG2-CB 4.36Å; I822-Y1068 HydrophobicContact CD1-CD1 4.28Å; I822-Y1068 HydrophobicContact CD1-CD2 4.43Å; I822-Y1068 HydrophobicContact CD1-CG 4.22Å; I822-Y1068 HydrophobicContact CG1-CD2 3.85Å; I822-Y1068 HydrophobicContact CG1-CE2 4.09Å; I822-Y1068 HydrophobicContact CG1-CG 4.07Å |
| 823 | C | 77.7 | Confident | 61 | Low | 30.75 Ų | 30.75 | 87.5 Ų | 87.5 | 21% | 0.208 | 46% | 0.464 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 139.5 | 175.7 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | I819 | I819-C823 PolarHBondContact O-N 3.36Å; I819-C823 VanDerWaalsContact O-N 3.14Å; I819-C823 PolarHBondContact O-SG 3.34Å |
| 824 | T | 63.7 | Low | 59 | Low | 66.25 Ų | 66.25 | 86.5 Ų | 86.5 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -89.8 | -10.5 | -177.2 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | K1062 N1064 | T824-K1062 PolarHBondContact N-O 3.15Å; T824-K1062 VanDerWaalsContact N-O 3.12Å; T824-K1062 VanDerWaalsContact OG1-C 3.27Å; T824-K1062 PolarHBondContact OG1-O 3.29Å; T824-K1062 VanDerWaalsContact OG1-O 3.08Å; T824-N1064 HydrophobicContact CG2-CB 4.42Å; T824-N1064 WeakPolarHBondContact CG2-ND2 3.49Å |
| 825 | E | 53.5 | Low | 56.7 | Low | 112.25 Ų | 112.25 | 84.6 Ų | 84.6 | 53% | 0.525 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -103.9 | 125.6 | 177.7 | -70.8 | 177.8 | 160 | 0 | 0 | 110.1 | C827 K1062 | E825-C827 PolarHBondContact O-N 3Å; E825-C827 VanDerWaalsContact O-N 3.11Å; E825-K1062 IonicContact OE1-NZ 3.37Å; E825-K1062 PolarHBondContact OE1-NZ 3.2Å; E825-K1062 WeakPolarHBondContact OE2-CD 3.48Å; E825-K1062 IonicContact OE2-NZ 3Å; E825-K1062 PolarHBondContact OE2-NZ 3.19Å |
| 826 | P | 43.6 | Very low | 54.3 | Low | 116.25 Ų | 116.25 | 90.4 Ų | 90.4 | 76% | 0.755 | 49% | 0.487 | S | S | * | . | trans | -74.1 | 104.4 | 179.4 | 29.8 | -33.7 | 0 | 0 | 0 | 110.3 | Q828 | P826-Q828 PolarHBondContact O-N 3.08Å; P826-Q828 VanDerWaalsContact O-N 3.14Å | ||
| 827 | C | 34.4 | Very low | 52.1 | Low | 92.25 Ų | 92.25 | 94.3 Ų | 94.3 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | trans | -64 | 105.2 | 171.1 | -66 | 0 | 0 | 0 | 0 | 110 | E825 H829 | E825-C827 PolarHBondContact O-N 3Å; E825-C827 VanDerWaalsContact O-N 3.11Å; C827-H829 VanDerWaalsContact C-N 3.29Å; C827-H829 PolarHBondContact O-N 3.12Å | ||
| 828 | Q | 31.8 | Very low | 49.7 | Very low | 177.5 Ų | 177.5 | 93.6 Ų | 93.6 | 83% | 0.829 | 52% | 0.518 | S | S | * | . | trans | -73.9 | 111.3 | 174 | -68.4 | -176.9 | -12.4 | 0 | 0 | 110.9 | P826 D830 | P826-Q828 PolarHBondContact O-N 3.08Å; P826-Q828 VanDerWaalsContact O-N 3.14Å; Q828-D830 PolarHBondContact O-N 3.41Å | ||
| 829 | H | 33.7 | Very low | 47.1 | Very low | 171.5 Ų | 171.5 | 102 Ų | 102 | 79% | 0.794 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -157.5 | 119 | 168.7 | -82.4 | -70.3 | 0 | 0 | 0 | 113.6 | C827 G831 | C827-H829 VanDerWaalsContact C-N 3.29Å; C827-H829 PolarHBondContact O-N 3.12Å; H829-G831 PolarHBondContact O-N 2.89Å |
| 830 | D | 30.8 | Very low | 44.7 | Very low | 156 Ų | 156 | 107.8 Ų | 107.8 | 83% | 0.834 | 59% | 0.587 | S | S | * | * | trans | -77.3 | 90.5 | 143 | -71.4 | -42.6 | 0 | 0 | 0 | 113.9 | Q828 I832 | Q828-D830 PolarHBondContact O-N 3.41Å; D830-I832 PolarHBondContact O-N 3.49Å; D830-I832 VanDerWaalsContact O-N 3.16Å | ||
| 831 | G | 32 | Very low | 42.4 | Very low | 61.5 Ų | 61.5 | 108.8 Ų | 108.8 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | trans | -125.4 | 121.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H829 I833 | H829-G831 PolarHBondContact O-N 2.89Å; G831-I833 PolarHBondContact O-N 2.74Å | ||
| 832 | I | 31.9 | Very low | 40 | Very low | 132.75 Ų | 132.75 | 113.2 Ų | 113.2 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | trans | 20.1 | 72.4 | 177.2 | -43.8 | 175.4 | 0 | 0 | 0 | 112.7 | D830 I834 | D830-I832 PolarHBondContact O-N 3.49Å; D830-I832 VanDerWaalsContact O-N 3.16Å; I832-I834 HydrophobicContact CG2-CB 4.43Å; I832-I834 HydrophobicContact CG2-CG1 3.86Å; I832-I834 WeakPolarHBondContact CG2-O 3.46Å; I832-I834 PolarHBondContact O-N 3.49Å | ||
| 833 | I | 37.9 | Very low | 37.7 | Very low | 87.25 Ų | 87.25 | 120.9 Ų | 120.9 | 45% | 0.447 | 66% | 0.656 | S | S | . | * | trans | -92.1 | 19.7 | 164.3 | -54.9 | 177.6 | 0 | 0 | 0 | 110.7 | N816 I819 Q820 G831 S835 | N816-I833 PolarHBondContact OD1-N 2.82Å; I819-I833 HydrophobicContact CD1-CB 4.5Å; I819-I833 HydrophobicContact CD1-CG2 4.37Å; I819-I833 HydrophobicContact CG2-CD1 3.9Å; I819-I833 HydrophobicContact CG2-CG2 4.24Å; Q820-I833 HydrophobicContact CG-CD1 4.38Å; G831-I833 PolarHBondContact O-N 2.74Å; I833-S835 PolarHBondContact O-N 2.78Å; I833-S835 VanDerWaalsContact O-N 3.12Å | ||
| 834 | I | 38.8 | Very low | 35.6 | Very low | 71 Ų | 71 | 127.1 Ų | 127.1 | 36% | 0.364 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -95.6 | 96.8 | 168.6 | -56.7 | 173.9 | 0 | 0 | 0 | 109.8 | P812 M815 N816 I819 I832 N836 Q951 | P812-I834 HydrophobicContact CB-CD1 3.94Å; M815-I834 HydrophobicContact CB-CD1 3.92Å; M815-I834 HydrophobicContact CE-CD1 4.41Å; N816-I834 WeakPolarHBondContact ND2-CD1 3.42Å; N816-I834 WeakPolarHBondContact OD1-CG1 3.44Å; I819-I834 HydrophobicContact CD1-CG1 4.46Å; I832-I834 HydrophobicContact CG2-CB 4.43Å; I832-I834 HydrophobicContact CG2-CG1 3.86Å; I832-I834 WeakPolarHBondContact CG2-O 3.46Å; I832-I834 PolarHBondContact O-N 3.49Å; I834-N836 HydrophobicContact CG2-CB 4.17Å; I834-N836 PolarHBondContact O-N 3.08Å; I834-N836 VanDerWaalsContact O-N 3.14Å; I834-Q951 HydrophobicContact CG2-CG 4.17Å |
| 835 | S | 34.9 | Very low | 34.1 | Very low | 70.75 Ų | 70.75 | 127.4 Ų | 127.4 | 50% | 0.495 | 70% | 0.703 | S | S | . | * | trans | -85.4 | 76.4 | 172.6 | 44.5 | 0 | 0 | 0 | 0 | 111.4 | I833 E837 | I833-S835 PolarHBondContact O-N 2.78Å; I833-S835 VanDerWaalsContact O-N 3.12Å; S835-E837 VanDerWaalsContact C-N 3.32Å; S835-E837 PolarHBondContact O-N 3.12Å; S835-E837 VanDerWaalsContact O-N 3.13Å | ||
| 836 | N | 31.6 | Very low | 33 | Very low | 124.75 Ų | 124.75 | 129.6 Ų | 129.6 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | trans | -94.3 | 71.5 | 175.5 | -82 | -7.8 | 0 | 0 | 0 | 112 | I834 G838 | I834-N836 HydrophobicContact CG2-CB 4.17Å; I834-N836 PolarHBondContact O-N 3.08Å; I834-N836 VanDerWaalsContact O-N 3.14Å; N836-G838 PolarHBondContact O-N 3.44Å | ||
| 837 | E | 32.9 | Very low | 32.7 | Very low | 140.75 Ų | 140.75 | 132.4 Ų | 132.4 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 78.1 | 159.7 | -70.9 | -170.6 | 170.2 | 0 | 0 | 109.3 | R683 R798 S835 K939 | R683-E837 IonicContact CZ-OE2 3.63Å; R683-E837 PolarHBondContact NH2-O 3.37Å; R683-E837 IonicContact NH2-OE2 3.65Å; R683-E837 PolarHBondContact NH2-OE2 3.16Å; R798-E837 IonicContact CZ-OE2 3.18Å; R798-E837 IonicContact NH1-OE1 2.66Å; R798-E837 IonicContact NH1-OE2 2.69Å; R798-E837 PolarHBondContact NH1-OE2 3.12Å; R798-E837 PolarHBondContact NH2-O 3.48Å; R798-E837 IonicContact NH2-OE1 2.69Å; R798-E837 PolarHBondContact NH2-OE1 3.43Å; R798-E837 VanDerWaalsContact NH2-OE1 3.13Å; R798-E837 IonicContact NH2-OE2 3.39Å; R798-E837 PolarHBondContact NH2-OE2 3.23Å; S835-E837 VanDerWaalsContact C-N 3.32Å; S835-E837 PolarHBondContact O-N 3.12Å; S835-E837 VanDerWaalsContact O-N 3.13Å; E837-K939 IonicContact OE1-NZ 3.21Å |
| 838 | G | 31.4 | Very low | 32.7 | Very low | 66.5 Ų | 66.5 | 133.4 Ų | 133.4 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | -6.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116.9 | N836 I840 | N836-G838 PolarHBondContact O-N 3.44Å; G838-I840 PolarHBondContact O-N 3.08Å; G838-I840 VanDerWaalsContact O-N 3.09Å |
| 839 | E | 28.8 | Very low | 32.9 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | trans | -89.7 | 98 | 175.4 | -65.6 | -165.3 | 140.8 | 0 | 0 | 115.1 | ||||
| 840 | I | 31.2 | Very low | 32.9 | Very low | 152.5 Ų | 152.5 | 129.2 Ų | 129.2 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | trans | -135.9 | 121.8 | 157.8 | -77.1 | 174.1 | 0 | 0 | 0 | 110.1 | G838 | G838-I840 PolarHBondContact O-N 3.08Å; G838-I840 VanDerWaalsContact O-N 3.09Å | ||
| 841 | N | 30.8 | Very low | 33.1 | Very low | 152.5 Ų | 152.5 | 132 Ų | 132 | 82% | 0.816 | 71% | 0.708 | S | S | * | * | trans | 74.1 | 74.8 | 177.3 | -61.2 | -25 | 0 | 0 | 0 | 118.1 | ||||
| 842 | K | 30.5 | Very low | 33.1 | Very low | 199.25 Ų | 199.25 | 137.4 Ų | 137.4 | 87% | 0.866 | 72% | 0.716 | S | S | * | * | trans | -115.8 | 118.8 | 144.7 | -78.2 | 171.3 | -179.1 | 168.9 | 0 | 111.3 | ||||
| 843 | M | 29.8 | Very low | 33.1 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | trans | -157.3 | 126.6 | 145.2 | -109 | 157.3 | -178.5 | 0 | 0 | 112.3 | ||||
| 844 | N | 33 | Very low | 33 | Very low | 160.75 Ų | 160.75 | 138.9 Ų | 138.9 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | 51.3 | 131.5 | 155.4 | -68.3 | -20.3 | 0 | 0 | 0 | 116 | ||||
| 845 | G | 32.9 | Very low | 32.7 | Very low | 72.75 Ų | 72.75 | 141.8 Ų | 141.8 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | trans | -177.5 | 87.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 846 | N | 31.3 | Very low | 32.6 | Very low | 158.25 Ų | 158.25 | 144.5 Ų | 144.5 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -39.2 | 147.2 | 168.6 | -69.4 | -2.6 | 0 | 0 | 0 | 115.4 | ||||
| 847 | K | 36.6 | Very low | 32.8 | Very low | 176.5 Ų | 176.5 | 147 Ų | 147 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | 175.5 | 134.1 | 143.4 | -92 | 179.8 | 156.4 | -119.2 | 0 | 115.1 | ||||
| 848 | D | 34.8 | Very low | 32.7 | Very low | 112.75 Ų | 112.75 | 149.1 Ų | 149.1 | 60% | 0.603 | 77% | 0.77 | S | S | * | * | 70.5 | 129.6 | 115.8 | -57.3 | -20.6 | 0 | 0 | 0 | 118 | |||||
| 849 | D | 35.4 | Very low | 32.5 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | 75.8 | 111.4 | 136.4 | -62.8 | -8 | 0 | 0 | 0 | 123.1 | ||||
| 850 | N | 33.4 | Very low | 32.5 | Very low | 130.75 Ų | 130.75 | 146.5 Ų | 146.5 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | 88.1 | 122.5 | 105.4 | -67.1 | -44.7 | 0 | 0 | 0 | 118.3 | |||||
| 851 | Y | 36.1 | Very low | 32.4 | Very low | 215.5 Ų | 215.5 | 148.1 Ų | 148.1 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | 176.9 | 125.1 | 120.3 | -98.9 | -77.2 | 0 | 0 | 0 | 114.5 | |||||
| 852 | E | 31 | Very low | 32.4 | Very low | 173.25 Ų | 173.25 | 148.9 Ų | 148.9 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -32.1 | 148.2 | 148.6 | -78.9 | -179 | 155.4 | 0 | 0 | 117.1 | ||||
| 853 | D | 31.3 | Very low | 32.2 | Very low | 133.5 Ų | 133.5 | 149.1 Ų | 149.1 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | 116.1 | 171.6 | 108.7 | -161.4 | 25.3 | 0 | 0 | 0 | 117.5 | |||||
| 854 | V | 35.7 | Very low | 32 | Very low | 119.5 Ų | 119.5 | 146 Ų | 146 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 87.6 | 97.4 | 172.7 | -166.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 855 | L | 33.3 | Very low | 31.8 | Very low | 130.25 Ų | 130.25 | 147.5 Ų | 147.5 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | 51.6 | 136.7 | 111.7 | -71.5 | 142.9 | 0 | 0 | 0 | 117.1 | |||||
| 856 | D | 31.9 | Very low | 31.5 | Very low | 128.75 Ų | 128.75 | 152.3 Ų | 152.3 | 69% | 0.689 | 77% | 0.767 | S | S | * | * | 60.5 | 129.7 | 120.5 | -78.9 | -15.8 | 0 | 0 | 0 | 120.3 | |||||
| 857 | K | 37.1 | Very low | 31.3 | Very low | 177.75 Ų | 177.75 | 152 Ų | 152 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | 173.9 | 149.4 | 119.2 | -97.9 | 158.1 | -174.1 | 162.3 | 0 | 118.1 | |||||
| 858 | E | 30 | Very low | 30.9 | Very low | 183.5 Ų | 183.5 | 148.2 Ų | 148.2 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | trans | -0.1 | 147.1 | 162.7 | -61.2 | 160.5 | 162.6 | 0 | 0 | 117.8 | ||||
| 859 | G | 27.4 | Very low | 30.6 | Very low | 63.25 Ų | 63.25 | 148.8 Ų | 148.8 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | 154.8 | 100.1 | 59.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 860 | T | 28.4 | Very low | 30.3 | Very low | 131.75 Ų | 131.75 | 149.7 Ų | 149.7 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | 51.9 | 116.8 | 155.5 | 60.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 861 | K | 29.9 | Very low | 30 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 128.8 | 131.2 | 143.5 | -80.4 | 163.4 | -179.8 | -169.8 | 0 | 115.1 | ||||
| 862 | E | 29.9 | Very low | 29.5 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | 128.6 | 122.1 | 108.8 | -76.9 | 169.3 | 174.1 | 0 | 0 | 115.1 | S864 | E862-S864 VanDerWaalsContact C-N 3.3Å; E862-S864 PolarHBondContact O-N 3.48Å | |||
| 863 | K | 26.4 | Very low | 29.3 | Very low | 204.25 Ų | 204.25 | 148.7 Ų | 148.7 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -19.6 | 132.1 | 132.4 | -72.5 | -176.6 | 175.6 | -178.4 | 0 | 113.5 | ||||
| 864 | S | 27.1 | Very low | 29 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 104.5 | 81.3 | 164.1 | 67.2 | 0 | 0 | 0 | 0 | 117.5 | E862 | E862-S864 VanDerWaalsContact C-N 3.3Å; E862-S864 PolarHBondContact O-N 3.48Å | ||
| 865 | Q | 27.5 | Very low | 28.5 | Very low | 191.25 Ų | 191.25 | 155.5 Ų | 155.5 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -151.9 | 62 | 151.5 | -123 | 164.4 | 13.9 | 0 | 0 | 114.3 | N867 | Q865-N867 PolarHBondContact O-N 3.29Š| ||
| 866 | E | 27.3 | Very low | 28.2 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -98.2 | 55.7 | 169 | -63.8 | -171.7 | 137.5 | 0 | 0 | 113.8 | S868 | E866-S868 VanDerWaalsContact C-N 3.34Å; E866-S868 PolarHBondContact O-N 3.06Å | ||
| 867 | N | 26.1 | Very low | 27.9 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 47.3 | 169.8 | -87.2 | -36.8 | 0 | 0 | 0 | 114.4 | Q865 | Q865-N867 PolarHBondContact O-N 3.29Š|
| 868 | S | 28.4 | Very low | 27.4 | Very low | 97 Ų | 97 | 150.3 Ų | 150.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | -21.8 | 176.9 | 55.5 | 0 | 0 | 0 | 0 | 115.9 | E866 L870 | E866-S868 VanDerWaalsContact C-N 3.34Å; E866-S868 PolarHBondContact O-N 3.06Å; S868-L870 PolarHBondContact O-N 3.45Å |
| 869 | V | 29.6 | Very low | 27.3 | Very low | 124.25 Ų | 124.25 | 144.8 Ų | 144.8 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -95.3 | 10.1 | -174 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | K871 | V869-K871 VanDerWaalsContact C-N 3.25Å; V869-K871 PolarHBondContact O-N 2.87Å | ||
| 870 | L | 28.1 | Very low | 27.6 | Very low | 148.75 Ų | 148.75 | 146.3 Ų | 146.3 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 53.6 | 174.1 | -75.1 | 166.6 | 0 | 0 | 0 | 114.4 | S868 H872 | S868-L870 PolarHBondContact O-N 3.45Å; L870-H872 VanDerWaalsContact C-N 3.29Å; L870-H872 PolarHBondContact O-N 3.41Å |
| 871 | K | 27.1 | Very low | 28.1 | Very low | 190.75 Ų | 190.75 | 144.7 Ų | 144.7 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -126.6 | 9 | 171.1 | -99.5 | 174.1 | -178.3 | 175.1 | 0 | 116.1 | V869 N873 | V869-K871 VanDerWaalsContact C-N 3.25Å; V869-K871 PolarHBondContact O-N 2.87Å; K871-N873 PolarHBondContact O-N 3.19Å |
| 872 | H | 26.4 | Very low | 28.9 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 46.5 | -179.1 | -99.7 | -68.7 | 0 | 0 | 0 | 114.5 | L870 Y874 | L870-H872 VanDerWaalsContact C-N 3.29Å; L870-H872 PolarHBondContact O-N 3.41Å; H872-Y874 VanDerWaalsContact C-N 3.29Å; H872-Y874 PolarHBondContact O-N 2.83Å |
| 873 | N | 25.4 | Very low | 30.2 | Very low | 142.75 Ų | 142.75 | 133.5 Ų | 133.5 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 13.4 | 172.5 | -74.9 | -12.9 | 0 | 0 | 0 | 115.2 | K871 Q875 | K871-N873 PolarHBondContact O-N 3.19Å; N873-Q875 PolarHBondContact O-N 3.35Å; N873-Q875 VanDerWaalsContact O-N 3.12Å |
| 874 | Y | 26.2 | Very low | 31.9 | Very low | 226.5 Ų | 226.5 | 127.7 Ų | 127.7 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 58.3 | 159.7 | -94.1 | -83.7 | 0 | 0 | 0 | 111.9 | H872 | H872-Y874 VanDerWaalsContact C-N 3.29Å; H872-Y874 PolarHBondContact O-N 2.83Å |
| 875 | Q | 25 | Very low | 34 | Very low | 168.5 Ų | 168.5 | 123.6 Ų | 123.6 | 79% | 0.787 | 68% | 0.68 | S | S | * | * | trans | -176.1 | 55.4 | -179.9 | -107 | 170 | 9.2 | 0 | 0 | 115.2 | N873 S877 | N873-Q875 PolarHBondContact O-N 3.35Å; N873-Q875 VanDerWaalsContact O-N 3.12Å; Q875-S877 PolarHBondContact O-N 2.9Å | ||
| 876 | V | 28 | Very low | 36.3 | Very low | 118.75 Ų | 118.75 | 115.9 Ų | 115.9 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | trans | -104.3 | 77.2 | 156.8 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | S878 S879 | V876-S878 VanDerWaalsContact C-N 3.27Å; V876-S878 PolarHBondContact O-N 2.87Å; V876-S879 WeakPolarHBondContact CG1-OG 3.38Å | ||
| 877 | S | 24.4 | Very low | 38.9 | Very low | 102.75 Ų | 102.75 | 108.8 Ų | 108.8 | 72% | 0.719 | 61% | 0.614 | S | S | * | * | trans | -81.9 | 67.1 | -177.3 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | Q875 | Q875-S877 PolarHBondContact O-N 2.9Š| ||
| 878 | S | 25.9 | Very low | 41.5 | Very low | 105.75 Ų | 105.75 | 103.9 Ų | 103.9 | 74% | 0.74 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -153.6 | 54.6 | 173.6 | 48.5 | 0 | 0 | 0 | 0 | 115.8 | V876 | V876-S878 VanDerWaalsContact C-N 3.27Å; V876-S878 PolarHBondContact O-N 2.87Å |
| 879 | S | 28.6 | Very low | 44.1 | Very low | 69 Ų | 69 | 99.7 Ų | 99.7 | 48% | 0.483 | 56% | 0.558 | S | S | . | * | trans | -173.3 | 30.8 | 171.2 | 63.7 | 0 | 0 | 0 | 0 | 115.7 | V876 S881 S882 | V876-S879 WeakPolarHBondContact CG1-OG 3.38Å; S879-S881 PolarHBondContact O-N 3.24Å; S879-S882 PolarHBondContact O-N 3.18Å; S879-S882 PolarHBondContact O-OG 3.35Å; S879-S882 PolarHBondContact OG-OG 3.25Å | ||
| 880 | S | 34.2 | Very low | 46.8 | Very low | 95.25 Ų | 95.25 | 93.8 Ų | 93.8 | 67% | 0.666 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -19.9 | -173.4 | 52.6 | 0 | 0 | 0 | 0 | 116 | S883 V884 | S880-S883 PolarHBondContact O-OG 3.2Å; S880-V884 WeakPolarHBondContact O-CG2 3.22Å |
| 881 | S | 38.2 | Very low | 49.5 | Very low | 98 Ų | 98 | 87.2 Ų | 87.2 | 69% | 0.685 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.3 | -32.9 | 174.7 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | S879 S885 | S879-S881 PolarHBondContact O-N 3.24Å; S881-S885 PolarHBondContact O-N 3.2Å; S881-S885 PolarHBondContact O-OG 3.26Å |
| 882 | S | 46.7 | Very low | 52.3 | Low | 55.5 Ų | 55.5 | 80.5 Ų | 80.5 | 39% | 0.388 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.8 | -37.1 | -175.6 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | S879 V884 S885 C886 | S879-S882 PolarHBondContact O-N 3.18Å; S879-S882 PolarHBondContact O-OG 3.35Å; S879-S882 PolarHBondContact OG-OG 3.25Å; S882-V884 VanDerWaalsContact C-N 3.34Å; S882-V884 PolarHBondContact O-N 3.4Å; S882-S885 WeakPolarHBondContact CA-OG 3.3Å; S882-S885 PolarHBondContact O-N 3.19Å; S882-S885 PolarHBondContact O-OG 3.26Å; S882-C886 PolarHBondContact O-N 3.17Å; S882-C886 VanDerWaalsContact O-N 3.17Å; S882-C886 PolarHBondContact O-SG 3.4Å |
| 883 | S | 58.2 | Low | 55.1 | Low | 63.5 Ų | 63.5 | 72.7 Ų | 72.7 | 44% | 0.444 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.1 | -35.1 | -178.2 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | S880 C886 I887 | S880-S883 PolarHBondContact O-OG 3.2Å; S883-C886 PolarHBondContact O-N 3.14Å; S883-I887 WeakPolarHBondContact O-CD1 3.44Å; S883-I887 WeakPolarHBondContact O-CG1 3.27Å; S883-I887 PolarHBondContact O-N 3.04Å |
| 884 | V | 61.1 | Low | 58.1 | Low | 80.5 Ų | 80.5 | 65.9 Ų | 65.9 | 49% | 0.488 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 176 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | S880 S882 C886 I887 D888 | S880-V884 WeakPolarHBondContact O-CG2 3.22Å; S882-V884 VanDerWaalsContact C-N 3.34Å; S882-V884 PolarHBondContact O-N 3.4Å; V884-C886 VanDerWaalsContact C-N 3.29Å; V884-C886 PolarHBondContact O-N 2.94Å; V884-I887 WeakPolarHBondContact O-CB 3.36Å; V884-I887 PolarHBondContact O-N 3.02Å; V884-I887 VanDerWaalsContact O-N 3.11Å; V884-D888 PolarHBondContact O-N 3.31Å; V884-D888 VanDerWaalsContact O-N 3.08Å |
| 885 | S | 71.3 | Confident | 61 | Low | 24.25 Ų | 24.25 | 58.7 Ų | 58.7 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.5 | -36.6 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | S710 S881 S882 I887 D888 L889 | S710-S885 VanDerWaalsContact OG-CB 3.24Å; S710-S885 WeakPolarHBondContact OG-CB 3.4Å; S881-S885 PolarHBondContact O-N 3.2Å; S881-S885 PolarHBondContact O-OG 3.26Å; S882-S885 WeakPolarHBondContact CA-OG 3.3Å; S882-S885 PolarHBondContact O-N 3.19Å; S882-S885 PolarHBondContact O-OG 3.26Å; S885-I887 VanDerWaalsContact C-N 3.32Å; S885-I887 PolarHBondContact O-N 3.13Å; S885-D888 PolarHBondContact O-N 3.31Å; S885-L889 WeakPolarHBondContact O-CB 3.3Å; S885-L889 WeakPolarHBondContact O-CD1 3.29Å; S885-L889 WeakPolarHBondContact O-CG 3.37Å; S885-L889 PolarHBondContact O-N 2.97Å |
| 886 | C | 77.2 | Confident | 63.9 | Low | 29.25 Ų | 29.25 | 50.7 Ų | 50.7 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.3 | -32.3 | 176.5 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | L808 S882 S883 V884 F890 | L808-C886 HydrophobicContact CD2-CB 4.24Å; S882-C886 PolarHBondContact O-N 3.17Å; S882-C886 VanDerWaalsContact O-N 3.17Å; S882-C886 PolarHBondContact O-SG 3.4Å; S883-C886 PolarHBondContact O-N 3.14Å; V884-C886 VanDerWaalsContact C-N 3.29Å; V884-C886 PolarHBondContact O-N 2.94Å; C886-F890 VanDerWaalsContact O-CB 3.32Å; C886-F890 WeakPolarHBondContact O-CB 3.31Å; C886-F890 PolarHBondContact O-N 3.15Å |
| 887 | I | 81.8 | Confident | 66.7 | Low | 25.25 Ų | 25.25 | 45.2 Ų | 45.2 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.8 | -42.8 | 176.1 | -64.9 | 166.6 | 0 | 0 | 0 | 110.3 | S883 V884 S885 L889 F890 A891 N967 I968 I971 | S883-I887 WeakPolarHBondContact O-CD1 3.44Å; S883-I887 WeakPolarHBondContact O-CG1 3.27Å; S883-I887 PolarHBondContact O-N 3.04Å; V884-I887 WeakPolarHBondContact O-CB 3.36Å; V884-I887 PolarHBondContact O-N 3.02Å; V884-I887 VanDerWaalsContact O-N 3.11Å; S885-I887 VanDerWaalsContact C-N 3.32Å; S885-I887 PolarHBondContact O-N 3.13Å; I887-L889 VanDerWaalsContact C-N 3.34Å; I887-L889 PolarHBondContact O-N 3.1Å; I887-F890 PolarHBondContact O-N 3.25Å; I887-A891 WeakPolarHBondContact O-CB 3.26Å; I887-A891 PolarHBondContact O-N 3.1Å; I887-N967 HydrophobicContact CD1-CB 4.2Å; I887-N967 HydrophobicContact CG2-CB 4.15Å; I887-I968 HydrophobicContact CG1-CD1 4.36Å; I887-I968 HydrophobicContact CG1-CG1 3.98Å; I887-I971 HydrophobicContact CG2-CD1 3.64Å |
| 888 | D | 79.1 | Confident | 69.6 | Low | 49.25 Ų | 49.25 | 42.1 Ų | 42.1 | 26% | 0.263 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 178.2 | -62.4 | -23.5 | 0 | 0 | 0 | 111.5 | V884 S885 A891 Q892 F1196 F1214 | V884-D888 PolarHBondContact O-N 3.31Å; V884-D888 VanDerWaalsContact O-N 3.08Å; S885-D888 PolarHBondContact O-N 3.31Å; D888-A891 WeakPolarHBondContact O-CB 3.34Å; D888-A891 PolarHBondContact O-N 3.07Å; D888-Q892 VanDerWaalsContact O-CG 3.3Å; D888-Q892 WeakPolarHBondContact O-CG 3.35Å; D888-Q892 PolarHBondContact O-N 3.16Å; D888-Q892 VanDerWaalsContact O-N 3.09Å; D888-F1196 WeakPolarHBondContact OD1-CE1 3.33Å; D888-F1196 WeakPolarHBondContact OD1-CZ 3.48Å; D888-F1214 HydrophobicContact CB-CE1 4.21Å; D888-F1214 WeakPolarHBondContact OD1-CE1 3.09Å |
| 889 | L | 82.9 | Confident | 72.3 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 174.4 | -67.7 | 170 | 0 | 0 | 0 | 111.7 | W713 I717 F803 S885 I887 A891 Q892 I893 | W713-L889 HydrophobicContact CB-CD1 3.5Å; W713-L889 VanDerWaalsContact CB-CD1 3.46Å; W713-L889 HydrophobicContact CB-CD2 3.59Å; W713-L889 HydrophobicContact CB-CG 4.19Å; W713-L889 HydrophobicContact CD2-CD1 4.42Å; W713-L889 HydrophobicContact CG-CD1 3.73Å; I717-L889 HydrophobicContact CD1-CB 4.27Å; I717-L889 HydrophobicContact CD1-CD2 3.62Å; I717-L889 HydrophobicContact CG1-CD2 4.13Å; F803-L889 HydrophobicContact CZ-CB 4.22Å; S885-L889 WeakPolarHBondContact O-CB 3.3Å; S885-L889 WeakPolarHBondContact O-CD1 3.29Å; S885-L889 WeakPolarHBondContact O-CG 3.37Å; S885-L889 PolarHBondContact O-N 2.97Å; I887-L889 VanDerWaalsContact C-N 3.34Å; I887-L889 PolarHBondContact O-N 3.1Å; L889-A891 VanDerWaalsContact C-N 3.31Å; L889-A891 PolarHBondContact O-N 3.16Å; L889-Q892 PolarHBondContact O-N 3.1Å; L889-Q892 VanDerWaalsContact O-N 3.17Å; L889-I893 WeakPolarHBondContact O-CG1 3.32Å; L889-I893 PolarHBondContact O-N 3.04Å |
| 890 | F | 86.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 174.1 | 179.2 | -112.2 | 0 | 0 | 0 | 111.8 | L800 F803 L808 C886 I887 Q892 I893 C894 L956 I968 I971 A972 | L800-F890 HydrophobicContact CD1-CD2 4.4Å; L800-F890 HydrophobicContact CD1-CE2 4.07Å; F803-F890 HydrophobicContact CD1-CD2 4.49Å; F803-F890 HydrophobicContact CE1-CB 4.17Å; F803-F890 HydrophobicContact CE1-CD2 4.28Å; L808-F890 HydrophobicContact CD1-CB 4.34Å; L808-F890 HydrophobicContact CD1-CD2 3.62Å; L808-F890 HydrophobicContact CD1-CE2 4.02Å; L808-F890 HydrophobicContact CD1-CG 3.95Å; C886-F890 VanDerWaalsContact O-CB 3.32Å; C886-F890 WeakPolarHBondContact O-CB 3.31Å; C886-F890 PolarHBondContact O-N 3.15Å; I887-F890 PolarHBondContact O-N 3.25Å; F890-Q892 VanDerWaalsContact C-N 3.35Å; F890-Q892 PolarHBondContact O-N 3.2Å; F890-I893 PolarHBondContact O-N 3.03Å; F890-C894 WeakPolarHBondContact CZ-SG 3.43Å; F890-C894 VanDerWaalsContact O-CB 3.27Å; F890-C894 WeakPolarHBondContact O-CB 3.33Å; F890-C894 PolarHBondContact O-N 3.35Å; F890-C894 PolarHBondContact O-SG 3Å; F890-L956 HydrophobicContact CE2-CD2 4.5Å; F890-L956 HydrophobicContact CZ-CD2 4.15Å; F890-I968 HydrophobicContact CD1-CG2 4.04Å; F890-I968 HydrophobicContact CE1-CG2 3.72Å; F890-I968 HydrophobicContact CZ-CG2 4.27Å; F890-I971 HydrophobicContact CD1-CB 4.17Å; F890-I971 HydrophobicContact CD1-CD1 4.38Å; F890-I971 HydrophobicContact CD1-CG2 3.67Å; F890-I971 HydrophobicContact CE1-CB 4.03Å; F890-I971 HydrophobicContact CE1-CG2 3.63Å; F890-A972 HydrophobicContact CE1-CB 4.16Å; F890-A972 HydrophobicContact CZ-CB 4.06Å |
| 891 | A | 85.7 | Confident | 77 | Confident | 11.5 Ų | 11.5 | 31.3 Ų | 31.3 | 10% | 0.095 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I887 D888 L889 C894 R895 I971 L1215 | I887-A891 WeakPolarHBondContact O-CB 3.26Å; I887-A891 PolarHBondContact O-N 3.1Å; D888-A891 WeakPolarHBondContact O-CB 3.34Å; D888-A891 PolarHBondContact O-N 3.07Å; L889-A891 VanDerWaalsContact C-N 3.31Å; L889-A891 PolarHBondContact O-N 3.16Å; A891-C894 VanDerWaalsContact O-CB 3.31Å; A891-C894 WeakPolarHBondContact O-CB 3.38Å; A891-C894 PolarHBondContact O-N 2.92Å; A891-R895 WeakPolarHBondContact O-CB 3.26Å; A891-R895 PolarHBondContact O-N 3.13Å; A891-I971 HydrophobicContact CB-CD1 3.96Å; A891-I971 HydrophobicContact CB-CG1 4.42Å; A891-I971 HydrophobicContact CB-CG2 4.27Å; A891-L1215 HydrophobicContact CB-CD2 4.33Å; A891-L1215 WeakPolarHBondContact O-CD2 3.27Å |
| 892 | Q | 84.4 | Confident | 78.8 | Confident | 50.25 Ų | 50.25 | 28.9 Ų | 28.9 | 24% | 0.235 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.3 | -42.8 | 178.8 | -65.8 | 169.2 | 15.9 | 0 | 0 | 112.3 | I717 D888 L889 F890 C894 R895 L896 | I717-Q892 HydrophobicContact CD1-CB 4.49Å; I717-Q892 HydrophobicContact CG2-CB 3.61Å; I717-Q892 HydrophobicContact CG2-CG 4.44Å; I717-Q892 VanDerWaalsContact CG2-OE1 3.25Å; D888-Q892 VanDerWaalsContact O-CG 3.3Å; D888-Q892 WeakPolarHBondContact O-CG 3.35Å; D888-Q892 PolarHBondContact O-N 3.16Å; D888-Q892 VanDerWaalsContact O-N 3.09Å; L889-Q892 PolarHBondContact O-N 3.1Å; L889-Q892 VanDerWaalsContact O-N 3.17Å; F890-Q892 VanDerWaalsContact C-N 3.35Å; F890-Q892 PolarHBondContact O-N 3.2Å; Q892-C894 VanDerWaalsContact C-N 3.31Å; Q892-C894 PolarHBondContact O-N 3.37Å; Q892-R895 WeakPolarHBondContact O-CB 3.47Å; Q892-R895 PolarHBondContact O-N 3.22Å; Q892-R895 VanDerWaalsContact O-N 3.15Å; Q892-L896 WeakPolarHBondContact O-CG 3.35Å; Q892-L896 PolarHBondContact O-N 2.96Å |
| 893 | I | 86.9 | Confident | 80.3 | Confident | 0.5 Ų | 0.5 | 26.5 Ų | 26.5 | 0% | 0.003 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.2 | -59.4 | 165.9 | 0 | 0 | 0 | 110.1 | I717 F796 F799 L800 F803 L889 F890 R895 L896 I897 | I717-I893 HydrophobicContact CD1-CD1 4.31Å; I717-I893 HydrophobicContact CD1-CG1 3.82Å; F796-I893 HydrophobicContact CE1-CG2 4.08Å; F796-I893 HydrophobicContact CZ-CG2 4.11Å; F799-I893 HydrophobicContact CE1-CD1 3.88Å; F799-I893 HydrophobicContact CE1-CG1 4.23Å; F799-I893 HydrophobicContact CE1-CG2 4.33Å; F799-I893 HydrophobicContact CZ-CD1 4.15Å; L800-I893 HydrophobicContact CB-CG2 4.35Å; L800-I893 HydrophobicContact CD1-CG2 3.75Å; F803-I893 HydrophobicContact CB-CD1 4.44Å; F803-I893 HydrophobicContact CD1-CD1 3.92Å; F803-I893 HydrophobicContact CD2-CD1 3.64Å; F803-I893 HydrophobicContact CE1-CD1 3.92Å; F803-I893 HydrophobicContact CE2-CD1 3.63Å; F803-I893 HydrophobicContact CG-CD1 3.79Å; F803-I893 HydrophobicContact CZ-CD1 3.78Å; L889-I893 WeakPolarHBondContact O-CG1 3.32Å; L889-I893 PolarHBondContact O-N 3.04Å; F890-I893 PolarHBondContact O-N 3.03Å; I893-R895 VanDerWaalsContact C-N 3.32Å; I893-R895 PolarHBondContact O-N 3.41Å; I893-L896 PolarHBondContact O-N 3.08Å; I893-L896 VanDerWaalsContact O-N 3.12Å; I893-I897 HydrophobicContact CG2-CD1 4.4Å; I893-I897 WeakPolarHBondContact O-CG1 3.36Å; I893-I897 PolarHBondContact O-N 3.38Å; I893-I897 VanDerWaalsContact O-N 3.11Å |
| 894 | C | 87.4 | Confident | 80.9 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 173.7 | -87.5 | 0 | 0 | 0 | 0 | 112.7 | F890 A891 Q892 L896 I897 V898 I971 T975 L1215 | F890-C894 WeakPolarHBondContact CZ-SG 3.43Å; F890-C894 VanDerWaalsContact O-CB 3.27Å; F890-C894 WeakPolarHBondContact O-CB 3.33Å; F890-C894 PolarHBondContact O-N 3.35Å; F890-C894 PolarHBondContact O-SG 3Å; A891-C894 VanDerWaalsContact O-CB 3.31Å; A891-C894 WeakPolarHBondContact O-CB 3.38Å; A891-C894 PolarHBondContact O-N 2.92Å; Q892-C894 VanDerWaalsContact C-N 3.31Å; Q892-C894 PolarHBondContact O-N 3.37Å; C894-L896 VanDerWaalsContact C-N 3.34Å; C894-L896 PolarHBondContact O-N 3.17Å; C894-I897 PolarHBondContact O-N 3.03Å; C894-V898 PolarHBondContact O-N 2.99Å; C894-V898 VanDerWaalsContact O-N 3.14Å; C894-I971 HydrophobicContact CB-CG2 3.99Å; C894-T975 HydrophobicContact CB-CG2 3.6Å; C894-T975 VanDerWaalsContact CB-CG2 3.47Å; C894-T975 WeakPolarHBondContact CB-OG1 3.2Å; C894-T975 WeakPolarHBondContact O-CG2 3.26Å; C894-T975 PolarHBondContact SG-OG1 3.3Å; C894-T975 VanDerWaalsContact SG-OG1 3.39Å; C894-L1215 HydrophobicContact CB-CD2 4.28Å |
| 895 | R | 87.3 | Confident | 81.2 | Confident | 74 Ų | 74 | 20.8 Ų | 20.8 | 28% | 0.279 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -59.7 | -48 | 173.5 | 177.9 | 176.5 | 87.4 | 106.1 | -14.6 | 111.4 | D721 A891 Q892 I893 I897 V898 E899 L1215 | D721-R895 IonicContact OD1-CZ 3.03Å; D721-R895 VanDerWaalsContact OD1-CZ 3.29Å; D721-R895 IonicContact OD1-NH1 3.1Å; D721-R895 PolarHBondContact OD1-NH1 3.31Å; D721-R895 IonicContact OD1-NH2 3.32Å; D721-R895 PolarHBondContact OD1-NH2 3.35Å; D721-R895 IonicContact OD2-CZ 3Å; D721-R895 IonicContact OD2-NH1 2.86Å; D721-R895 IonicContact OD2-NH2 3.51Å; D721-R895 PolarHBondContact OD2-NH2 3.02Å; A891-R895 WeakPolarHBondContact O-CB 3.26Å; A891-R895 PolarHBondContact O-N 3.13Å; Q892-R895 WeakPolarHBondContact O-CB 3.47Å; Q892-R895 PolarHBondContact O-N 3.22Å; Q892-R895 VanDerWaalsContact O-N 3.15Å; I893-R895 VanDerWaalsContact C-N 3.32Å; I893-R895 PolarHBondContact O-N 3.41Å; R895-I897 VanDerWaalsContact C-N 3.27Å; R895-I897 PolarHBondContact O-N 3.17Å; R895-V898 CarbonylContact O-C 3.56Å; R895-V898 WeakPolarHBondContact O-CA 3.49Å; R895-V898 PolarHBondContact O-N 3.18Å; R895-V898 VanDerWaalsContact O-N 3.11Å; R895-E899 IonicContact CZ-OE2 3.67Å; R895-E899 IonicContact NH1-OE2 3.15Å; R895-E899 PolarHBondContact NH1-OE2 3.28Å; R895-E899 PolarHBondContact O-N 3.22Å; R895-L1215 HydrophobicContact CB-CD2 4.2Å; R895-L1215 VanDerWaalsContact CD-C 3.48Å; R895-L1215 VanDerWaalsContact CD-O 3.32Å; R895-L1215 WeakPolarHBondContact CD-O 3.23Å; R895-L1215 WeakPolarHBondContact CG-O 3.36Å |
| 896 | L | 85.5 | Confident | 80.5 | Confident | 0.75 Ų | 0.75 | 20.1 Ų | 20.1 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -35.2 | -179 | -69.7 | 175.1 | 0 | 0 | 0 | 112.5 | I717 L720 D721 V724 F796 Q892 I893 C894 V898 E899 M900 | I717-L896 HydrophobicContact CG2-CD1 3.93Å; L720-L896 HydrophobicContact CB-CD1 4.18Å; D721-L896 HydrophobicContact CB-CD2 3.92Å; D721-L896 VanDerWaalsContact OD1-CD2 3.31Å; D721-L896 WeakPolarHBondContact OD1-CD2 3.39Å; V724-L896 HydrophobicContact CB-CD2 4.4Å; V724-L896 HydrophobicContact CG1-CD2 4.28Å; V724-L896 HydrophobicContact CG2-CD2 4.39Å; F796-L896 HydrophobicContact CE1-CB 3.71Å; F796-L896 HydrophobicContact CE2-CD1 4.31Å; F796-L896 HydrophobicContact CZ-CB 3.65Å; F796-L896 HydrophobicContact CZ-CD1 3.72Å; F796-L896 HydrophobicContact CZ-CG 4.35Å; Q892-L896 WeakPolarHBondContact O-CG 3.35Å; Q892-L896 PolarHBondContact O-N 2.96Å; I893-L896 PolarHBondContact O-N 3.08Å; I893-L896 VanDerWaalsContact O-N 3.12Å; C894-L896 VanDerWaalsContact C-N 3.34Å; C894-L896 PolarHBondContact O-N 3.17Å; L896-V898 VanDerWaalsContact C-N 3.35Å; L896-E899 PolarHBondContact O-N 3.19Å; L896-M900 VanDerWaalsContact O-CB 3.31Å; L896-M900 WeakPolarHBondContact O-CB 3.41Å; L896-M900 VanDerWaalsContact O-CG 3.3Å; L896-M900 WeakPolarHBondContact O-CG 3.38Å; L896-M900 PolarHBondContact O-N 3.1Å |
| 897 | I | 87.1 | Confident | 79.5 | Confident | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 173.8 | -71.5 | 170.7 | 0 | 0 | 0 | 111.8 | F796 L800 I893 C894 R895 E899 S901 W952 L979 | F796-I897 HydrophobicContact CD1-CD1 4Å; F796-I897 HydrophobicContact CD1-CG1 3.86Å; F796-I897 HydrophobicContact CE1-CD1 4.16Å; F796-I897 HydrophobicContact CE1-CG1 3.76Å; L800-I897 HydrophobicContact CB-CD1 3.76Å; L800-I897 HydrophobicContact CD1-CD1 3.79Å; L800-I897 HydrophobicContact CD2-CD1 3.33Å; L800-I897 VanDerWaalsContact CD2-CD1 3.45Å; L800-I897 HydrophobicContact CG-CD1 3.87Å; I893-I897 HydrophobicContact CG2-CD1 4.4Å; I893-I897 WeakPolarHBondContact O-CG1 3.36Å; I893-I897 PolarHBondContact O-N 3.38Å; I893-I897 VanDerWaalsContact O-N 3.11Å; C894-I897 PolarHBondContact O-N 3.03Å; R895-I897 VanDerWaalsContact C-N 3.27Å; R895-I897 PolarHBondContact O-N 3.17Å; I897-E899 VanDerWaalsContact C-N 3.27Å; I897-E899 PolarHBondContact O-N 3.05Å; I897-S901 WeakPolarHBondContact O-CA 3.44Å; I897-S901 VanDerWaalsContact O-CB 3.31Å; I897-S901 WeakPolarHBondContact O-CB 3.37Å; I897-S901 PolarHBondContact O-N 3.1Å; I897-W952 HydrophobicContact CG2-CZ3 4.41Å; I897-L979 HydrophobicContact CG2-CD1 4.34Å; I897-L979 HydrophobicContact CG2-CD2 4.47Å |
| 898 | V | 85.1 | Confident | 77.7 | Confident | 37.25 Ų | 37.25 | 21.2 Ų | 21.2 | 23% | 0.226 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.2 | -31.5 | 174.8 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | C894 R895 L896 S901 S902 T975 E978 L979 | C894-V898 PolarHBondContact O-N 2.99Å; C894-V898 VanDerWaalsContact O-N 3.14Å; R895-V898 CarbonylContact O-C 3.56Å; R895-V898 WeakPolarHBondContact O-CA 3.49Å; R895-V898 PolarHBondContact O-N 3.18Å; R895-V898 VanDerWaalsContact O-N 3.11Å; L896-V898 VanDerWaalsContact C-N 3.35Å; V898-S901 VanDerWaalsContact O-CB 3.29Å; V898-S901 WeakPolarHBondContact O-CB 3.44Å; V898-S901 PolarHBondContact O-N 3.16Å; V898-S901 PolarHBondContact O-OG 2.92Å; V898-S902 PolarHBondContact O-N 3.13Å; V898-T975 HydrophobicContact CG2-CG2 3.8Å; V898-E978 HydrophobicContact CG1-CB 4.25Å; V898-E978 HydrophobicContact CG2-CB 4.41Å; V898-L979 HydrophobicContact CG2-CD2 4.46Å |
| 899 | E | 82.8 | Confident | 76 | Confident | 27.5 Ų | 27.5 | 24.4 Ų | 24.4 | 13% | 0.129 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -73.9 | -45.7 | 175.7 | -170.1 | 153 | -174.1 | 0 | 0 | 112.2 | V724 R728 R895 L896 I897 S901 S902 F903 | V724-E899 HydrophobicContact CG1-CB 4.35Å; V724-E899 HydrophobicContact CG1-CG 3.99Å; R728-E899 VanDerWaalsContact CD-OE1 3.32Å; R728-E899 WeakPolarHBondContact CD-OE1 3.26Å; R728-E899 IonicContact CZ-OE1 3.2Å; R728-E899 IonicContact NE-OE1 2.66Å; R728-E899 IonicContact NH1-OE1 2.91Å; R728-E899 PolarHBondContact NH1-OE1 3.17Å; R728-E899 IonicContact NH2-OE1 2.8Å; R895-E899 IonicContact CZ-OE2 3.67Å; R895-E899 IonicContact NH1-OE2 3.15Å; R895-E899 PolarHBondContact NH1-OE2 3.28Å; R895-E899 PolarHBondContact O-N 3.22Å; L896-E899 PolarHBondContact O-N 3.19Å; I897-E899 VanDerWaalsContact C-N 3.27Å; I897-E899 PolarHBondContact O-N 3.05Å; E899-S901 VanDerWaalsContact C-N 3.28Å; E899-S901 PolarHBondContact O-N 3.1Å; E899-S902 WeakPolarHBondContact O-CA 3.31Å; E899-S902 VanDerWaalsContact O-CB 3.26Å; E899-S902 WeakPolarHBondContact O-CB 3.44Å; E899-S902 PolarHBondContact O-N 2.98Å; E899-S902 VanDerWaalsContact O-N 3.12Å; E899-S902 PolarHBondContact O-OG 3.17Å; E899-F903 WeakPolarHBondContact O-CD1 3.26Å |
| 900 | M | 81.9 | Confident | 73.7 | Confident | 6.25 Ų | 6.25 | 28.9 Ų | 28.9 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.6 | -34.3 | 169.6 | -74 | -177.4 | 157.6 | 0 | 0 | 112.3 | I671 V724 V793 F796 L896 S902 F903 P1049 | I671-M900 HydrophobicContact CD1-CE 4.06Å; I671-M900 HydrophobicContact CG2-CE 4.19Å; V724-M900 HydrophobicContact CB-CG 4.47Å; V724-M900 HydrophobicContact CG1-CG 4.04Å; V724-M900 HydrophobicContact CG2-CE 3.69Å; V724-M900 HydrophobicContact CG2-CG 4.14Å; V724-M900 HydrophobicContact CG2-SD 3.89Å; V793-M900 HydrophobicContact CB-CE 4.46Å; V793-M900 HydrophobicContact CB-SD 4.44Å; V793-M900 HydrophobicContact CG1-CB 4.31Å; V793-M900 HydrophobicContact CG1-SD 4.39Å; V793-M900 HydrophobicContact CG2-CB 4.18Å; V793-M900 HydrophobicContact CG2-CE 3.93Å; V793-M900 HydrophobicContact CG2-CG 4.29Å; V793-M900 HydrophobicContact CG2-SD 4.19Å; F796-M900 HydrophobicContact CB-CE 3.76Å; F796-M900 HydrophobicContact CB-SD 3.7Å; F796-M900 HydrophobicContact CD1-CE 3.94Å; F796-M900 HydrophobicContact CD1-SD 3.58Å; F796-M900 WeakPolarHBondContact CD1-SD 3.32Å; F796-M900 HydrophobicContact CD2-CE 3.68Å; F796-M900 HydrophobicContact CD2-SD 4.38Å; F796-M900 HydrophobicContact CE1-CE 4.32Å; F796-M900 HydrophobicContact CE1-SD 4.16Å; F796-M900 HydrophobicContact CE2-CE 4.32Å; F796-M900 HydrophobicContact CG-CE 3.76Å; F796-M900 VanDerWaalsContact CG-CE 3.48Å; F796-M900 HydrophobicContact CG-SD 3.64Å; L896-M900 VanDerWaalsContact O-CB 3.31Å; L896-M900 WeakPolarHBondContact O-CB 3.41Å; L896-M900 VanDerWaalsContact O-CG 3.3Å; L896-M900 WeakPolarHBondContact O-CG 3.38Å; L896-M900 PolarHBondContact O-N 3.1Å; M900-S902 PolarHBondContact O-N 3.27Å; M900-S902 VanDerWaalsContact O-N 3.1Å; M900-F903 HydrophobicContact CB-CE2 4.39Å; M900-F903 HydrophobicContact CB-CZ 4.31Å; M900-F903 HydrophobicContact CG-CE2 4.36Å; M900-F903 HydrophobicContact CG-CZ 4.05Å; M900-F903 WeakPolarHBondContact O-CB 3.26Å; M900-F903 WeakPolarHBondContact O-CD1 3.38Å; M900-F903 VanDerWaalsContact O-CG 3.28Å; M900-F903 WeakPolarHBondContact O-CG 3.42Å; M900-F903 PolarHBondContact O-N 3.27Å; M900-P1049 VanDerWaalsContact O-CG 3.23Å; M900-P1049 WeakPolarHBondContact O-CG 3.44Å |
| 901 | S | 79.4 | Confident | 70.9 | Confident | 10.25 Ų | 10.25 | 33.7 Ų | 33.7 | 7% | 0.072 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -18 | 175.5 | 103.2 | 0 | 0 | 0 | 0 | 114 | I897 V898 E899 L979 P1049 V1050 | I897-S901 WeakPolarHBondContact O-CA 3.44Å; I897-S901 VanDerWaalsContact O-CB 3.31Å; I897-S901 WeakPolarHBondContact O-CB 3.37Å; I897-S901 PolarHBondContact O-N 3.1Å; V898-S901 VanDerWaalsContact O-CB 3.29Å; V898-S901 WeakPolarHBondContact O-CB 3.44Å; V898-S901 PolarHBondContact O-N 3.16Å; V898-S901 PolarHBondContact O-OG 2.92Å; E899-S901 VanDerWaalsContact C-N 3.28Å; E899-S901 PolarHBondContact O-N 3.1Å; S901-L979 WeakPolarHBondContact OG-CD2 3.37Å; S901-P1049 WeakPolarHBondContact CA-O 3.37Å; S901-P1049 WeakPolarHBondContact CB-O 3.42Å; S901-V1050 VanDerWaalsContact CA-CG2 3.42Å; S901-V1050 WeakPolarHBondContact O-CG2 3.35Å; S901-V1050 WeakPolarHBondContact OG-CG2 3.35Å |
| 902 | S | 76.8 | Confident | 68.2 | Low | 48 Ų | 48 | 41.5 Ų | 41.5 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.5 | -177 | 76.9 | 0 | 0 | 0 | 0 | 114.5 | R728 V898 E899 M900 P904 R1211 | R728-S902 PolarHBondContact NE-OG 3.27Å; V898-S902 PolarHBondContact O-N 3.13Å; E899-S902 WeakPolarHBondContact O-CA 3.31Å; E899-S902 VanDerWaalsContact O-CB 3.26Å; E899-S902 WeakPolarHBondContact O-CB 3.44Å; E899-S902 PolarHBondContact O-N 2.98Å; E899-S902 VanDerWaalsContact O-N 3.12Å; E899-S902 PolarHBondContact O-OG 3.17Å; M900-S902 PolarHBondContact O-N 3.27Å; M900-S902 VanDerWaalsContact O-N 3.1Å; S902-P904 WeakPolarHBondContact O-CD 3.41Å; S902-R1211 VanDerWaalsContact CA-NH2 3.32Å; S902-R1211 PolarHBondContact O-NH2 3Å |
| 903 | F | 78.5 | Confident | 65.4 | Low | 3.75 Ų | 3.75 | 46.7 Ų | 46.7 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | trans | -66 | 122.7 | -177.2 | -66.3 | 1.8 | 0 | 0 | 0 | 111.2 | V724 I727 R728 A731 I789 V793 E899 M900 L905 F1048 P1049 | V724-F903 HydrophobicContact CG1-CE1 4.33Å; V724-F903 HydrophobicContact CG1-CZ 4.17Å; I727-F903 HydrophobicContact CB-CE2 4.31Å; I727-F903 HydrophobicContact CB-CZ 4.33Å; I727-F903 HydrophobicContact CG2-CD2 4.37Å; I727-F903 HydrophobicContact CG2-CE2 3.67Å; I727-F903 HydrophobicContact CG2-CZ 3.91Å; R728-F903 HydrophobicContact CB-CD1 4.07Å; R728-F903 HydrophobicContact CB-CE1 3.63Å; R728-F903 HydrophobicContact CB-CZ 4.2Å; R728-F903 HydrophobicContact CG-CD1 4.03Å; R728-F903 HydrophobicContact CG-CE1 4.02Å; A731-F903 HydrophobicContact CB-CB 4.45Å; I789-F903 HydrophobicContact CG2-CD2 3.77Å; I789-F903 HydrophobicContact CG2-CE2 4.03Å; V793-F903 HydrophobicContact CG2-CD2 4.02Å; V793-F903 HydrophobicContact CG2-CE2 3.9Å; E899-F903 WeakPolarHBondContact O-CD1 3.26Å; M900-F903 HydrophobicContact CB-CE2 4.39Å; M900-F903 HydrophobicContact CB-CZ 4.31Å; M900-F903 HydrophobicContact CG-CE2 4.36Å; M900-F903 HydrophobicContact CG-CZ 4.05Å; M900-F903 WeakPolarHBondContact O-CB 3.26Å; M900-F903 WeakPolarHBondContact O-CD1 3.38Å; M900-F903 VanDerWaalsContact O-CG 3.28Å; M900-F903 WeakPolarHBondContact O-CG 3.42Å; M900-F903 PolarHBondContact O-N 3.27Å; F903-L905 HydrophobicContact CB-CD1 4.29Å; F903-L905 HydrophobicContact CB-CG 4.41Å; F903-L905 PolarHBondContact O-N 3.05Å; F903-F1048 WeakPolarHBondContact O-CD1 3.38Å; F903-P1049 HydrophobicContact CB-CG 4.12Å; F903-P1049 WeakPolarHBondContact O-CD 3.41Å | ||
| 904 | P | 69.8 | Low | 62.7 | Low | 17.25 Ų | 17.25 | 51.4 Ų | 51.4 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | trans | -79.2 | 118.1 | 176.6 | 32 | -32.7 | 0 | 0 | 0 | 110.2 | V732 F735 S902 L1046 F1048 | V732-P904 HydrophobicContact CG2-CG 3.97Å; F735-P904 HydrophobicContact CB-CB 4.13Å; F735-P904 HydrophobicContact CB-CG 3.9Å; F735-P904 HydrophobicContact CD1-CB 4.22Å; F735-P904 HydrophobicContact CD1-CG 4.44Å; F735-P904 HydrophobicContact CD2-CB 3.93Å; F735-P904 HydrophobicContact CD2-CG 4.38Å; F735-P904 WeakPolarHBondContact CD2-O 3.4Å; F735-P904 HydrophobicContact CE1-CB 4.44Å; F735-P904 HydrophobicContact CE2-CB 4.14Å; F735-P904 HydrophobicContact CG-CB 3.82Å; F735-P904 HydrophobicContact CG-CG 4.11Å; F735-P904 HydrophobicContact CZ-CB 4.46Å; S902-P904 WeakPolarHBondContact O-CD 3.41Å; P904-L1046 HydrophobicContact CB-CD2 3.94Å; P904-F1048 HydrophobicContact CB-CE1 3.88Å; P904-F1048 HydrophobicContact CB-CZ 4.28Å | ||
| 905 | L | 67.2 | Low | 59.8 | Low | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 118.2 | -178.1 | -59.1 | 166 | 0 | 0 | 0 | 109.2 | L786 I789 F903 F934 L1046 V1047 F1048 P1049 | L786-L905 HydrophobicContact CD2-CD2 3.64Å; I789-L905 HydrophobicContact CG2-CD2 4.11Å; F903-L905 HydrophobicContact CB-CD1 4.29Å; F903-L905 HydrophobicContact CB-CG 4.41Å; F903-L905 PolarHBondContact O-N 3.05Å; L905-F934 HydrophobicContact CD1-CE1 3.67Å; L905-F934 HydrophobicContact CD1-CE2 4.5Å; L905-F934 HydrophobicContact CD1-CZ 3.52Å; L905-F934 VanDerWaalsContact CD1-CZ 3.44Å; L905-L1046 VanDerWaalsContact O-O 3.12Å; L905-V1047 CarbonylContact C-O 3.38Å; L905-V1047 WeakPolarHBondContact CA-O 3.32Å; L905-V1047 WeakPolarHBondContact CB-O 3.41Å; L905-V1047 PolarHBondContact N-O 3.14Å; L905-V1047 CarbonylContact O-C 3.37Å; L905-V1047 WeakPolarHBondContact O-CA 3.39Å; L905-V1047 PolarHBondContact O-N 3.35Å; L905-V1047 VanDerWaalsContact O-O 3.04Å; L905-F1048 HydrophobicContact CB-CB 3.87Å; L905-F1048 HydrophobicContact CD1-CB 4.28Å; L905-F1048 WeakPolarHBondContact O-CB 3.45Å; L905-F1048 PolarHBondContact O-N 3.01Å; L905-P1049 HydrophobicContact CD1-CG 4.44Å |
| 906 | S | 57.7 | Low | 57.1 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 8% | 0.077 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.3 | -178.9 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | L738 L1046 | L738-S906 VanDerWaalsContact CD1-OG 3.27Å; L738-S906 WeakPolarHBondContact CD1-OG 3.42Å; S906-L1046 WeakPolarHBondContact CA-O 3.41Å |
| 907 | I | 55.6 | Low | 54.3 | Low | 23.25 Ų | 23.25 | 64.6 Ų | 64.6 | 12% | 0.119 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.5 | -178.8 | -59 | 163.6 | 0 | 0 | 0 | 109.6 | F744 H909 I930 L931 R1045 L1046 V1047 F1048 | F744-I907 HydrophobicContact CD2-CG1 4.32Å; F744-I907 HydrophobicContact CD2-CG2 4.36Å; F744-I907 HydrophobicContact CE2-CG1 4.15Å; F744-I907 HydrophobicContact CZ-CG1 4.39Å; I907-H909 PolarHBondContact O-N 3.41Å; I907-I930 HydrophobicContact CD1-CB 4.23Å; I907-I930 HydrophobicContact CD1-CD1 4.1Å; I907-I930 HydrophobicContact CD1-CG2 3.61Å; I907-I930 VanDerWaalsContact CD1-CG2 3.46Å; I907-I930 HydrophobicContact CG1-CD1 4.26Å; I907-I930 HydrophobicContact CG1-CG2 3.98Å; I907-I930 HydrophobicContact CG2-CD1 3.92Å; I907-L931 HydrophobicContact CD1-CD1 4.21Å; I907-R1045 PolarHBondContact N-O 2.98Å; I907-R1045 PolarHBondContact O-N 2.97Å; I907-L1046 HydrophobicContact CB-CD1 4.35Å; I907-L1046 WeakPolarHBondContact O-CD1 3.49Å; I907-V1047 HydrophobicContact CB-CG2 4.45Å; I907-V1047 HydrophobicContact CD1-CB 3.88Å; I907-V1047 HydrophobicContact CD1-CG1 4.35Å; I907-V1047 HydrophobicContact CD1-CG2 3.66Å; I907-V1047 HydrophobicContact CG1-CG2 4.42Å; I907-F1048 HydrophobicContact CD1-CD2 3.83Å; I907-F1048 HydrophobicContact CD1-CE2 4.03Å; I907-F1048 HydrophobicContact CG1-CD2 4.42Å |
| 908 | I | 44 | Very low | 51.8 | Low | 52.5 Ų | 52.5 | 68.2 Ų | 68.2 | 27% | 0.269 | 39% | 0.386 | S | S | . | . | trans | -99.1 | 117 | 170 | -47 | 176.3 | 0 | 0 | 0 | 109.5 | P741 V742 N743 Q910 M1044 | P741-I908 HydrophobicContact CB-CD1 3.79Å; P741-I908 HydrophobicContact CB-CG1 3.78Å; P741-I908 HydrophobicContact CG-CD1 3.89Å; P741-I908 VanDerWaalsContact CG-CD1 3.46Å; P741-I908 HydrophobicContact CG-CG1 3.99Å; P741-I908 WeakPolarHBondContact O-CD1 3.46Å; V742-I908 WeakPolarHBondContact O-CD1 3.23Å; V742-I908 VanDerWaalsContact O-CG1 3.32Å; V742-I908 WeakPolarHBondContact O-CG1 3.31Å; N743-I908 WeakPolarHBondContact OD1-CD1 3.42Å; I908-Q910 HydrophobicContact CG2-CG 3.96Å; I908-Q910 PolarHBondContact O-N 2.98Å; I908-M1044 HydrophobicContact CG1-CG 4.15Å; I908-M1044 HydrophobicContact CG1-SD 4.47Å | ||
| 909 | H | 43.6 | Very low | 49.3 | Very low | 116.75 Ų | 116.75 | 72.9 Ų | 72.9 | 54% | 0.541 | 40% | 0.4 | S | S | . | . | trans | -91.1 | 97.6 | 166.8 | -119 | -90.6 | 0 | 0 | 0 | 110.3 | I907 C911 | I907-H909 PolarHBondContact O-N 3.41Å; H909-C911 VanDerWaalsContact C-N 3.29Å; H909-C911 PolarHBondContact ND1-SG 3.2Å; H909-C911 PolarHBondContact O-N 3.27Å; H909-C911 VanDerWaalsContact O-N 3.15Å | ||
| 910 | Q | 33.6 | Very low | 46.9 | Very low | 104.75 Ų | 104.75 | 78 Ų | 78 | 49% | 0.489 | 43% | 0.426 | S | S | . | . | trans | -77.8 | 85.1 | 165.8 | -72 | -165.7 | 17.1 | 0 | 0 | 110.1 | N743 I908 K912 | N743-Q910 PolarHBondContact OD1-NE2 3.48Å; I908-Q910 HydrophobicContact CG2-CG 3.96Å; I908-Q910 PolarHBondContact O-N 2.98Å; Q910-K912 VanDerWaalsContact C-N 3.27Å; Q910-K912 PolarHBondContact O-N 3.17Å | ||
| 911 | C | 28.5 | Very low | 44.6 | Very low | 100.25 Ų | 100.25 | 83.6 Ų | 83.6 | 68% | 0.677 | 46% | 0.455 | S | S | * | . | trans | -68 | 92.8 | 167.8 | -69.3 | 0 | 0 | 0 | 0 | 110.3 | H909 N913 | H909-C911 VanDerWaalsContact C-N 3.29Å; H909-C911 PolarHBondContact ND1-SG 3.2Å; H909-C911 PolarHBondContact O-N 3.27Å; H909-C911 VanDerWaalsContact O-N 3.15Å; C911-N913 PolarHBondContact O-N 3.35Å | ||
| 912 | K | 28.4 | Very low | 42.2 | Very low | 175 Ų | 175 | 86.8 Ų | 86.8 | 76% | 0.761 | 48% | 0.477 | S | S | * | . | trans | -77.3 | 128.7 | 157.5 | -80.2 | -175.3 | 176.3 | 177.5 | 0 | 108.5 | Q910 S914 | Q910-K912 VanDerWaalsContact C-N 3.27Å; Q910-K912 PolarHBondContact O-N 3.17Å; K912-S914 PolarHBondContact O-N 2.86Å; K912-S914 VanDerWaalsContact O-N 3.1Å | ||
| 913 | N | 25.7 | Very low | 40 | Very low | 159 Ų | 159 | 92.5 Ų | 92.5 | 85% | 0.85 | 50% | 0.504 | S | S | * | . | trans | -82.3 | 103.5 | 176.4 | -76.1 | -15.4 | 0 | 0 | 0 | 111 | C911 S915 | C911-N913 PolarHBondContact O-N 3.35Å; N913-S915 PolarHBondContact O-N 3.39Å | ||
| 914 | S | 29.9 | Very low | 37.8 | Very low | 100 Ų | 100 | 95.7 Ų | 95.7 | 70% | 0.699 | 53% | 0.527 | S | S | * | . | trans | -129.1 | 116.5 | 166 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | K912 M916 | K912-S914 PolarHBondContact O-N 2.86Å; K912-S914 VanDerWaalsContact O-N 3.1Å; S914-M916 VanDerWaalsContact C-N 3.29Å; S914-M916 PolarHBondContact O-N 3.09Å; S914-M916 VanDerWaalsContact O-N 3.1Å | ||
| 915 | S | 27.2 | Very low | 36.2 | Very low | 113 Ų | 113 | 104.3 Ų | 104.3 | 79% | 0.79 | 56% | 0.563 | S | S | * | * | trans | -37.2 | 88.7 | 173.7 | 51 | 0 | 0 | 0 | 0 | 113.6 | N913 S917 | N913-S915 PolarHBondContact O-N 3.39Å; S915-S917 PolarHBondContact O-N 3.37Å | ||
| 916 | M | 30.4 | Very low | 34.7 | Very low | 155.75 Ų | 155.75 | 107 Ų | 107 | 77% | 0.767 | 58% | 0.582 | S | S | * | * | trans | -127.1 | 125.2 | 165.9 | -83.1 | -71 | 99.9 | 0 | 0 | 109.9 | S914 Y996 | S914-M916 VanDerWaalsContact C-N 3.29Å; S914-M916 PolarHBondContact O-N 3.09Å; S914-M916 VanDerWaalsContact O-N 3.1Å; M916-Y996 PolarHBondContact O-OH 3.26Å | ||
| 917 | S | 27.6 | Very low | 33.8 | Very low | 84 Ų | 84 | 111.5 Ų | 111.5 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | trans | -73 | 152.3 | 167 | 31.3 | 0 | 0 | 0 | 0 | 113.9 | S915 R919 Y996 | S915-S917 PolarHBondContact O-N 3.37Å; S917-R919 PolarHBondContact O-N 3.19Å; S917-Y996 WeakPolarHBondContact CA-OH 3.35Å | ||
| 918 | P | 33.4 | Very low | 33.5 | Very low | 78.75 Ų | 78.75 | 115.2 Ų | 115.2 | 51% | 0.511 | 63% | 0.625 | S | S | . | * | trans | -64.4 | 119.7 | 174.5 | 16.9 | -19.6 | 0 | 0 | 0 | 110.7 | I920 Y996 | P918-I920 PolarHBondContact O-N 2.86Å; P918-Y996 WeakPolarHBondContact CD-OH 3.27Å; P918-Y996 HydrophobicContact CG-CE1 4.18Å | ||
| 919 | R | 32.7 | Very low | 34.1 | Very low | 137.5 Ų | 137.5 | 115.7 Ų | 115.7 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | trans | -63.2 | 128.1 | 175.7 | -100.6 | -179.8 | -170.2 | 174.4 | -2.8 | 110.5 | S917 D927 N929 D932 D999 | S917-R919 PolarHBondContact O-N 3.19Å; R919-D927 IonicContact CZ-OD2 2.77Å; R919-D927 IonicContact NE-OD2 3.33Å; R919-D927 PolarHBondContact NE-OD2 3.26Å; R919-D927 PolarHBondContact NH1-O 3.04Å; R919-D927 PolarHBondContact NH2-O 3.08Å; R919-D927 IonicContact NH2-OD2 3.62Å; R919-D927 PolarHBondContact NH2-OD2 2.84Å; R919-N929 PolarHBondContact NH1-ND2 2.94Å; R919-N929 PolarHBondContact NH1-OD1 3.35Å; R919-N929 VanDerWaalsContact NH2-CG 3.3Å; R919-N929 PolarHBondContact NH2-OD1 3.35Å; R919-N929 VanDerWaalsContact NH2-OD1 3.12Å; R919-D932 IonicContact CZ-OD2 3.7Å; R919-D932 IonicContact NH1-OD2 3.3Å; R919-D932 PolarHBondContact NH1-OD2 2.8Å; R919-D999 IonicContact CZ-OD2 3.95Å; R919-D999 IonicContact NH1-OD2 2.75Å; R919-D999 IonicContact NH2-OD2 3.8Å; R919-D999 PolarHBondContact NH2-OD2 3.24Å | ||
| 920 | I | 33.6 | Very low | 34.9 | Very low | 134.25 Ų | 134.25 | 111.2 Ų | 111.2 | 69% | 0.688 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 139.1 | 170.4 | -59.2 | 168.1 | 0 | 0 | 0 | 108 | P918 S922 A942 | P918-I920 PolarHBondContact O-N 2.86Å; I920-S922 VanDerWaalsContact C-N 3.31Å; I920-S922 WeakPolarHBondContact CG2-OG 3.25Å; I920-S922 PolarHBondContact O-N 2.92Å; I920-S922 VanDerWaalsContact O-N 3.13Å; I920-A942 HydrophobicContact CG2-CB 3.75Å |
| 921 | I | 33.2 | Very low | 36.2 | Very low | 123.75 Ų | 123.75 | 108.2 Ų | 108.2 | 64% | 0.635 | 59% | 0.594 | S | S | * | * | trans | -48.4 | 91.9 | 169.3 | -51.4 | 173.2 | 0 | 0 | 0 | 110.8 | R940 A942 | I921-R940 WeakPolarHBondContact CD1-O 3.49Å; I921-R940 WeakPolarHBondContact CG1-O 3.44Å; I921-A942 HydrophobicContact CB-CB 3.88Å; I921-A942 HydrophobicContact CD1-CB 4.45Å; I921-A942 HydrophobicContact CG1-CB 4.22Å | ||
| 922 | S | 29.8 | Very low | 38 | Very low | 76.75 Ų | 76.75 | 105.3 Ų | 105.3 | 54% | 0.537 | 57% | 0.572 | S | S | . | * | trans | -113.7 | 126.3 | 162.6 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | I920 S924 | I920-S922 VanDerWaalsContact C-N 3.31Å; I920-S922 WeakPolarHBondContact CG2-OG 3.25Å; I920-S922 PolarHBondContact O-N 2.92Å; I920-S922 VanDerWaalsContact O-N 3.13Å; S922-S924 VanDerWaalsContact C-N 3.27Å; S922-S924 PolarHBondContact O-N 3.05Å; S922-S924 VanDerWaalsContact O-N 3.15Å; S922-S924 PolarHBondContact OG-OG 3.23Å | ||
| 923 | N | 29.8 | Very low | 39.8 | Very low | 169 Ų | 169 | 99 Ų | 99 | 90% | 0.904 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -58.7 | 52.7 | 171.5 | -70.3 | -21.8 | 0 | 0 | 0 | 114.3 | ||
| 924 | S | 31.3 | Very low | 42.1 | Very low | 70.5 Ų | 70.5 | 91.8 Ų | 91.8 | 49% | 0.493 | 51% | 0.508 | S | S | . | . | trans | -122.4 | 134 | 169.4 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | S922 S926 | S922-S924 VanDerWaalsContact C-N 3.27Å; S922-S924 PolarHBondContact O-N 3.05Å; S922-S924 VanDerWaalsContact O-N 3.15Å; S922-S924 PolarHBondContact OG-OG 3.23Å; S924-S926 WeakPolarHBondContact CB-OG 3.49Å; S924-S926 PolarHBondContact O-N 3.14Å; S924-S926 VanDerWaalsContact O-N 3.11Å; S924-S926 PolarHBondContact OG-OG 3.43Å | ||
| 925 | K | 37.2 | Very low | 43.7 | Very low | 198.5 Ų | 198.5 | 88.5 Ų | 88.5 | 86% | 0.863 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 12.5 | -170.6 | -96.5 | -175.5 | 175.1 | -174.7 | 0 | 114.8 | L752 | L752-K925 HydrophobicContact CD2-CB 4.42Š|
| 926 | S | 36.4 | Very low | 45.4 | Very low | 63 Ų | 63 | 83.3 Ų | 83.3 | 44% | 0.441 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -17 | -162.9 | 45.6 | 0 | 0 | 0 | 0 | 116.1 | L752 S924 L928 | L752-S926 WeakPolarHBondContact CD1-O 3.39Å; S924-S926 WeakPolarHBondContact CB-OG 3.49Å; S924-S926 PolarHBondContact O-N 3.14Å; S924-S926 VanDerWaalsContact O-N 3.11Å; S924-S926 PolarHBondContact OG-OG 3.43Å; S926-L928 PolarHBondContact O-N 3.14Å |
| 927 | D | 38.8 | Very low | 47.1 | Very low | 104.75 Ų | 104.75 | 77.8 Ų | 77.8 | 56% | 0.56 | 43% | 0.426 | S | S | * | . | trans | -111.6 | 36.2 | -162.5 | -73 | 22.7 | 0 | 0 | 0 | 113.4 | R919 N929 | R919-D927 IonicContact CZ-OD2 2.77Å; R919-D927 IonicContact NE-OD2 3.33Å; R919-D927 PolarHBondContact NE-OD2 3.26Å; R919-D927 PolarHBondContact NH1-O 3.04Å; R919-D927 PolarHBondContact NH2-O 3.08Å; R919-D927 IonicContact NH2-OD2 3.62Å; R919-D927 PolarHBondContact NH2-OD2 2.84Å; D927-N929 PolarHBondContact O-N 3.06Å | ||
| 928 | L | 48.2 | Very low | 49 | Very low | 102.25 Ų | 102.25 | 74.5 Ų | 74.5 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | trans | -70.6 | 118.6 | 177.6 | -79.4 | 160.8 | 0 | 0 | 0 | 111.6 | V748 S926 D932 L933 | V748-L928 HydrophobicContact CG1-CB 4.45Å; S926-L928 PolarHBondContact O-N 3.14Å; L928-D932 HydrophobicContact CD2-CB 4.1Å; L928-L933 HydrophobicContact CB-CD1 4.22Å | ||
| 929 | N | 56.2 | Low | 50.8 | Low | 62.75 Ų | 62.75 | 75.9 Ų | 75.9 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | trans | -81.4 | 152.4 | 168 | -83.4 | -13.6 | 0 | 0 | 0 | 109.8 | R919 D927 L931 D932 E937 | R919-N929 PolarHBondContact NH1-ND2 2.94Å; R919-N929 PolarHBondContact NH1-OD1 3.35Å; R919-N929 VanDerWaalsContact NH2-CG 3.3Å; R919-N929 PolarHBondContact NH2-OD1 3.35Å; R919-N929 VanDerWaalsContact NH2-OD1 3.12Å; D927-N929 PolarHBondContact O-N 3.06Å; N929-L931 HydrophobicContact CB-CD1 4.49Å; N929-L931 PolarHBondContact O-N 3.2Å; N929-L931 VanDerWaalsContact O-N 3.12Å; N929-D932 PolarHBondContact N-OD2 3.06Å; N929-D932 VanDerWaalsContact N-OD2 3.11Å; N929-D932 VanDerWaalsContact O-CB 3.29Å; N929-D932 WeakPolarHBondContact O-CB 3.3Å; N929-D932 PolarHBondContact O-N 3.05Å; N929-D932 VanDerWaalsContact O-N 3.14Å; N929-E937 WeakPolarHBondContact CB-OE2 3.45Å; N929-E937 PolarHBondContact ND2-OE2 3.15Å | ||
| 930 | I | 60.1 | Low | 52.2 | Low | 22.5 Ų | 22.5 | 74.5 Ų | 74.5 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.6 | -25.7 | 174.8 | -112 | 151.2 | 0 | 0 | 0 | 112.6 | F744 M787 A790 I907 D932 L933 F934 | F744-I930 HydrophobicContact CB-CD1 3.46Å; F744-I930 VanDerWaalsContact CB-CD1 3.46Å; F744-I930 HydrophobicContact CB-CG1 3.86Å; F744-I930 HydrophobicContact CD1-CD1 3.4Å; F744-I930 VanDerWaalsContact CD1-CD1 3.4Å; F744-I930 HydrophobicContact CD1-CG1 4.4Å; F744-I930 HydrophobicContact CD2-CD1 4.08Å; F744-I930 HydrophobicContact CE1-CD1 4.21Å; F744-I930 HydrophobicContact CG-CD1 3.63Å; F744-I930 HydrophobicContact CG-CG1 4.09Å; M787-I930 HydrophobicContact CG-CD1 4.26Å; A790-I930 HydrophobicContact CB-CD1 4.22Å; A790-I930 HydrophobicContact CB-CG1 3.73Å; I907-I930 HydrophobicContact CD1-CB 4.23Å; I907-I930 HydrophobicContact CD1-CD1 4.1Å; I907-I930 HydrophobicContact CD1-CG2 3.61Å; I907-I930 VanDerWaalsContact CD1-CG2 3.46Å; I907-I930 HydrophobicContact CG1-CD1 4.26Å; I907-I930 HydrophobicContact CG1-CG2 3.98Å; I907-I930 HydrophobicContact CG2-CD1 3.92Å; I930-D932 VanDerWaalsContact C-N 3.32Å; I930-D932 PolarHBondContact O-N 3.46Å; I930-L933 HydrophobicContact CG1-CD1 4.45Å; I930-L933 WeakPolarHBondContact O-CB 3.23Å; I930-L933 PolarHBondContact O-N 3.14Å; I930-F934 HydrophobicContact CG1-CZ 4.22Å; I930-F934 HydrophobicContact CG2-CD2 4.36Å; I930-F934 HydrophobicContact CG2-CE2 4.06Å; I930-F934 HydrophobicContact CG2-CZ 4.34Å; I930-F934 WeakPolarHBondContact O-CD2 3.46Å; I930-F934 PolarHBondContact O-N 2.77Å |
| 931 | L | 62 | Low | 53.4 | Low | 40.5 Ų | 40.5 | 70.2 Ų | 70.2 | 21% | 0.212 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.4 | -29.5 | 178 | -66.9 | 83.2 | 0 | 0 | 0 | 112.7 | I907 N929 L933 F934 G936 E937 F1048 | I907-L931 HydrophobicContact CD1-CD1 4.21Å; N929-L931 HydrophobicContact CB-CD1 4.49Å; N929-L931 PolarHBondContact O-N 3.2Å; N929-L931 VanDerWaalsContact O-N 3.12Å; L931-L933 VanDerWaalsContact C-N 3.27Å; L931-L933 PolarHBondContact O-N 3.09Å; L931-F934 HydrophobicContact CB-CD2 4.44Å; L931-F934 HydrophobicContact CG-CD2 4.49Å; L931-F934 HydrophobicContact CG-CE2 4.44Å; L931-F934 PolarHBondContact O-N 3.14Å; L931-G936 PolarHBondContact O-N 2.7Å; L931-E937 HydrophobicContact CB-CG 3.7Å; L931-E937 WeakPolarHBondContact CB-OE1 3.26Å; L931-E937 WeakPolarHBondContact CB-OE2 3.45Å; L931-E937 HydrophobicContact CD2-CG 4.41Å; L931-E937 WeakPolarHBondContact CD2-OE1 3.32Å; L931-E937 HydrophobicContact CG-CG 4.48Å; L931-F1048 HydrophobicContact CB-CZ 4.35Å; L931-F1048 HydrophobicContact CD1-CE2 4.18Å; L931-F1048 HydrophobicContact CD2-CE2 4.07Å; L931-F1048 HydrophobicContact CD2-CZ 3.72Å; L931-F1048 HydrophobicContact CG-CE2 3.67Å; L931-F1048 HydrophobicContact CG-CZ 3.76Å |
| 932 | D | 65.9 | Low | 54.3 | Low | 39 Ų | 39 | 67.6 Ų | 67.6 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 171.6 | -89.7 | -65.3 | 0 | 0 | 0 | 110.4 | R919 L928 N929 I930 F934 G935 E937 K939 | R919-D932 IonicContact CZ-OD2 3.7Å; R919-D932 IonicContact NH1-OD2 3.3Å; R919-D932 PolarHBondContact NH1-OD2 2.8Å; L928-D932 HydrophobicContact CD2-CB 4.1Å; N929-D932 PolarHBondContact N-OD2 3.06Å; N929-D932 VanDerWaalsContact N-OD2 3.11Å; N929-D932 VanDerWaalsContact O-CB 3.29Å; N929-D932 WeakPolarHBondContact O-CB 3.3Å; N929-D932 PolarHBondContact O-N 3.05Å; N929-D932 VanDerWaalsContact O-N 3.14Å; I930-D932 VanDerWaalsContact C-N 3.32Å; I930-D932 PolarHBondContact O-N 3.46Å; D932-F934 VanDerWaalsContact C-N 3.27Å; D932-F934 PolarHBondContact O-N 3.37Å; D932-G935 WeakPolarHBondContact O-CA 3.49Å; D932-G935 PolarHBondContact O-N 3.29Å; D932-E937 VanDerWaalsContact CA-OE2 3.28Å; D932-E937 WeakPolarHBondContact CA-OE2 3.49Å; D932-E937 PolarHBondContact N-OE2 3.36Å; D932-K939 WeakPolarHBondContact OD1-CE 3.26Å; D932-K939 IonicContact OD1-NZ 3.15Å; D932-K939 PolarHBondContact OD1-NZ 3.08Å |
| 933 | L | 67.2 | Low | 55.2 | Low | 44 Ų | 44 | 71.1 Ų | 71.1 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.9 | -31.4 | -178.9 | -89.6 | 114.9 | 0 | 0 | 0 | 112.7 | M787 A790 E791 G794 L928 I930 L931 G935 | M787-L933 HydrophobicContact CB-CD1 4.08Å; M787-L933 HydrophobicContact CB-CD2 4.35Å; M787-L933 HydrophobicContact CG-CD1 4.3Å; M787-L933 HydrophobicContact CG-CD2 3.38Å; M787-L933 VanDerWaalsContact CG-CD2 3.46Å; M787-L933 WeakPolarHBondContact O-CD2 3.43Å; M787-L933 HydrophobicContact SD-CD2 4.37Å; A790-L933 HydrophobicContact CB-CB 4.09Å; A790-L933 HydrophobicContact CB-CD1 4.09Å; A790-L933 HydrophobicContact CB-CD2 3.94Å; A790-L933 HydrophobicContact CB-CG 4.14Å; A790-L933 CarbonylContact O-C 3.08Å; E791-L933 HydrophobicContact CB-CD1 3.83Å; E791-L933 HydrophobicContact CB-CD2 4.27Å; E791-L933 HydrophobicContact CB-CG 4Å; E791-L933 HydrophobicContact CG-CD1 3.82Å; E791-L933 HydrophobicContact CG-CG 4.49Å; G794-L933 VanDerWaalsContact CA-O 3.32Å; G794-L933 WeakPolarHBondContact CA-O 3.34Å; L928-L933 HydrophobicContact CB-CD1 4.22Å; I930-L933 HydrophobicContact CG1-CD1 4.45Å; I930-L933 WeakPolarHBondContact O-CB 3.23Å; I930-L933 PolarHBondContact O-N 3.14Å; L931-L933 VanDerWaalsContact C-N 3.27Å; L931-L933 PolarHBondContact O-N 3.09Å; L933-G935 PolarHBondContact O-N 3.06Å; L933-G935 VanDerWaalsContact O-N 3.13Å |
| 934 | F | 72.4 | Confident | 56.4 | Low | 7.5 Ų | 7.5 | 67 Ų | 67 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -5 | 173.2 | -65.5 | -60.6 | 0 | 0 | 0 | 113.8 | A790 V793 R797 L905 I930 L931 D932 G936 V1047 F1048 P1049 | A790-F934 HydrophobicContact CB-CD1 4.07Å; A790-F934 HydrophobicContact CB-CD2 3.97Å; A790-F934 HydrophobicContact CB-CE1 3.61Å; A790-F934 HydrophobicContact CB-CE2 3.42Å; A790-F934 HydrophobicContact CB-CG 4.35Å; A790-F934 HydrophobicContact CB-CZ 3.58Å; V793-F934 HydrophobicContact CB-CD1 4.05Å; V793-F934 HydrophobicContact CB-CE1 4.24Å; V793-F934 HydrophobicContact CG1-CD1 3.85Å; V793-F934 HydrophobicContact CG1-CE1 4.31Å; V793-F934 HydrophobicContact CG2-CE1 4.45Å; R797-F934 WeakPolarHBondContact CD-O 3.33Å; R797-F934 VanDerWaalsContact CZ-O 3.32Å; R797-F934 PolarHBondContact NE-O 3.34Å; R797-F934 PolarHBondContact NH1-O 3.01Å; L905-F934 HydrophobicContact CD1-CE1 3.67Å; L905-F934 HydrophobicContact CD1-CE2 4.5Å; L905-F934 HydrophobicContact CD1-CZ 3.52Å; L905-F934 VanDerWaalsContact CD1-CZ 3.44Å; I930-F934 HydrophobicContact CG1-CZ 4.22Å; I930-F934 HydrophobicContact CG2-CD2 4.36Å; I930-F934 HydrophobicContact CG2-CE2 4.06Å; I930-F934 HydrophobicContact CG2-CZ 4.34Å; I930-F934 WeakPolarHBondContact O-CD2 3.46Å; I930-F934 PolarHBondContact O-N 2.77Å; L931-F934 HydrophobicContact CB-CD2 4.44Å; L931-F934 HydrophobicContact CG-CD2 4.49Å; L931-F934 HydrophobicContact CG-CE2 4.44Å; L931-F934 PolarHBondContact O-N 3.14Å; D932-F934 VanDerWaalsContact C-N 3.27Å; D932-F934 PolarHBondContact O-N 3.37Å; F934-G936 PolarHBondContact O-N 2.94Å; F934-G936 VanDerWaalsContact O-N 3.12Å; F934-V1047 HydrophobicContact CE2-CG1 3.81Å; F934-V1047 HydrophobicContact CZ-CG1 4.33Å; F934-F1048 HydrophobicContact CB-CE1 4.31Å; F934-F1048 HydrophobicContact CB-CZ 4.16Å; F934-F1048 HydrophobicContact CD1-CD1 4.47Å; F934-F1048 AromaticContact CD1-CE1 3.76Å; F934-F1048 HydrophobicContact CD1-CE1 3.76Å; F934-F1048 HydrophobicContact CD1-CZ 4.29Å; F934-F1048 HydrophobicContact CD2-CD1 4.21Å; F934-F1048 AromaticContact CD2-CE1 3.68Å; F934-F1048 HydrophobicContact CD2-CE1 3.68Å; F934-F1048 AromaticContact CD2-CE2 3.99Å; F934-F1048 HydrophobicContact CD2-CE2 3.99Å; F934-F1048 AromaticContact CD2-CZ 3.23Å; F934-F1048 HydrophobicContact CD2-CZ 3.71Å; F934-F1048 HydrophobicContact CE1-CD1 4.33Å; F934-F1048 HydrophobicContact CE1-CE1 4.01Å; F934-F1048 HydrophobicContact CE2-CD1 4.3Å; F934-F1048 AromaticContact CE2-CE1 3.83Å; F934-F1048 HydrophobicContact CE2-CE1 4.03Å; F934-F1048 AromaticContact CE2-CE2 4Å; F934-F1048 HydrophobicContact CE2-CE2 4Å; F934-F1048 AromaticContact CE2-CZ 3.61Å; F934-F1048 HydrophobicContact CE2-CZ 3.61Å; F934-F1048 HydrophobicContact CG-CD1 4.49Å; F934-F1048 AromaticContact CG-CE1 3.54Å; F934-F1048 HydrophobicContact CG-CE1 3.79Å; F934-F1048 AromaticContact CG-CZ 3.63Å; F934-F1048 HydrophobicContact CG-CZ 3.63Å; F934-F1048 HydrophobicContact CZ-CD1 4.31Å; F934-F1048 HydrophobicContact CZ-CE1 4.06Å; F934-F1048 HydrophobicContact CZ-CZ 4.31Å; F934-P1049 HydrophobicContact CD1-CB 3.62Å; F934-P1049 HydrophobicContact CD2-CB 4.2Å; F934-P1049 HydrophobicContact CE1-CB 3.7Å; F934-P1049 HydrophobicContact CE2-CB 4.3Å; F934-P1049 HydrophobicContact CG-CB 3.9Å; F934-P1049 HydrophobicContact CZ-CB 4.07Å |
| 935 | G | 64.9 | Low | 57.7 | Low | 30.5 Ų | 30.5 | 65.5 Ų | 65.5 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 28.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D932 L933 P950 W952 | D932-G935 WeakPolarHBondContact O-CA 3.49Å; D932-G935 PolarHBondContact O-N 3.29Å; L933-G935 PolarHBondContact O-N 3.06Å; L933-G935 VanDerWaalsContact O-N 3.13Å; G935-P950 WeakPolarHBondContact O-CB 3.35Å; G935-W952 PolarHBondContact O-NE1 3.25Å |
| 936 | G | 62.3 | Low | 58.8 | Low | 3.75 Ų | 3.75 | 58.3 Ų | 58.3 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | trans | -117 | -1.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L931 F934 L1055 | L931-G936 PolarHBondContact O-N 2.7Å; F934-G936 PolarHBondContact O-N 2.94Å; F934-G936 VanDerWaalsContact O-N 3.12Å; G936-L1055 VanDerWaalsContact O-CD2 3.28Å; G936-L1055 WeakPolarHBondContact O-CD2 3.28Å | ||
| 937 | E | 65.3 | Low | 60.3 | Low | 40.25 Ų | 40.25 | 57.6 Ų | 57.6 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -86.1 | 155.1 | -176.8 | -64.1 | -149.7 | 116.6 | 0 | 0 | 114 | N929 L931 D932 K939 P950 | N929-E937 WeakPolarHBondContact CB-OE2 3.45Å; N929-E937 PolarHBondContact ND2-OE2 3.15Å; L931-E937 HydrophobicContact CB-CG 3.7Å; L931-E937 WeakPolarHBondContact CB-OE1 3.26Å; L931-E937 WeakPolarHBondContact CB-OE2 3.45Å; L931-E937 HydrophobicContact CD2-CG 4.41Å; L931-E937 WeakPolarHBondContact CD2-OE1 3.32Å; L931-E937 HydrophobicContact CG-CG 4.48Å; D932-E937 VanDerWaalsContact CA-OE2 3.28Å; D932-E937 WeakPolarHBondContact CA-OE2 3.49Å; D932-E937 PolarHBondContact N-OE2 3.36Å; E937-K939 PolarHBondContact O-N 3.23Å; E937-P950 WeakPolarHBondContact O-CG 3.44Å |
| 938 | L | 67.9 | Low | 62 | Low | 15.25 Ų | 15.25 | 55.5 Ų | 55.5 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | trans | -86.4 | 94.4 | 176.8 | -171.5 | 75.6 | 0 | 0 | 0 | 109.5 | R940 F947 L949 F993 L1055 Y1058 | L938-R940 PolarHBondContact O-N 2.9Å; L938-F947 HydrophobicContact CD1-CB 3.99Å; L938-F947 HydrophobicContact CD2-CB 4.05Å; L938-F947 HydrophobicContact CD2-CD1 3.4Å; L938-F947 HydrophobicContact CD2-CE1 3.97Å; L938-F947 HydrophobicContact CD2-CG 3.88Å; L938-F947 HydrophobicContact CG-CB 3.92Å; L938-F947 HydrophobicContact CG-CD1 3.73Å; L938-F947 HydrophobicContact CG-CE1 4.48Å; L938-F947 HydrophobicContact CG-CG 4.19Å; L938-L949 HydrophobicContact CD1-CD2 3.71Å; L938-L949 HydrophobicContact CD1-CG 4.25Å; L938-F993 HydrophobicContact CD2-CZ 4.47Å; L938-L1055 HydrophobicContact CB-CB 4.38Å; L938-L1055 HydrophobicContact CB-CD1 4.36Å; L938-L1055 HydrophobicContact CD1-CD1 3.99Å; L938-L1055 HydrophobicContact CD1-CG 4.45Å; L938-Y1058 HydrophobicContact CD1-CD1 3.92Å; L938-Y1058 HydrophobicContact CD1-CE1 4.23Å; L938-Y1058 HydrophobicContact CD1-CG 4.25Å; L938-Y1058 VanDerWaalsContact CD2-CB 3.49Å; L938-Y1058 HydrophobicContact CD2-CD1 4.12Å; L938-Y1058 HydrophobicContact CD2-CD2 3.85Å; L938-Y1058 HydrophobicContact CD2-CE2 4.36Å; L938-Y1058 HydrophobicContact CD2-CG 3.58Å; L938-Y1058 VanDerWaalsContact CD2-CG 3.41Å; L938-Y1058 HydrophobicContact CG-CG 4.44Å | ||
| 939 | K | 70.7 | Confident | 63.6 | Low | 106.75 Ų | 106.75 | 51.4 Ų | 51.4 | 46% | 0.464 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 135.2 | -176.2 | -60 | -165.7 | 178.3 | -158.9 | 0 | 110.8 | E837 D932 E937 I948 | E837-K939 IonicContact OE1-NZ 3.21Å; D932-K939 WeakPolarHBondContact OD1-CE 3.26Å; D932-K939 IonicContact OD1-NZ 3.15Å; D932-K939 PolarHBondContact OD1-NZ 3.08Å; E937-K939 PolarHBondContact O-N 3.23Å; K939-I948 HydrophobicContact CB-CB 4.33Å; K939-I948 PolarHBondContact N-O 3.04Å; K939-I948 WeakPolarHBondContact O-CB 3.44Å; K939-I948 PolarHBondContact O-N 3.14Å |
| 940 | R | 62.4 | Low | 64.8 | Low | 108 Ų | 108 | 49.1 Ų | 49.1 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.9 | 173.3 | -112.1 | -179 | -169.3 | -171.4 | 4.1 | 109.9 | I921 L938 A942 G945 F947 Y995 | I921-R940 WeakPolarHBondContact CD1-O 3.49Å; I921-R940 WeakPolarHBondContact CG1-O 3.44Å; L938-R940 PolarHBondContact O-N 2.9Å; R940-A942 PolarHBondContact O-N 3.2Å; R940-G945 VanDerWaalsContact CG-O 3.29Å; R940-G945 WeakPolarHBondContact CG-O 3.37Å; R940-G945 PolarHBondContact NE-O 3.12Å; R940-G945 VanDerWaalsContact NE-O 3.13Å; R940-G945 PolarHBondContact NH2-O 3.12Å; R940-F947 HydrophobicContact CB-CD1 4.34Å; R940-F947 HydrophobicContact CB-CE1 4.4Å; R940-F947 HydrophobicContact CG-CD1 3.94Å; R940-F947 HydrophobicContact CG-CE1 3.91Å; R940-F947 HydrophobicContact CG-CG 4.45Å; R940-F947 HydrophobicContact CG-CZ 4.45Å; R940-Y995 PolarHBondContact NH1-OH 3.16Å |
| 941 | N | 59.8 | Low | 65.9 | Low | 44 Ų | 44 | 51.7 Ų | 51.7 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -72 | 130.8 | 173.9 | -166.5 | 9.6 | 0 | 0 | 0 | 109.8 | D943 T944 G945 C946 I948 | N941-D943 VanDerWaalsContact C-N 3.33Å; N941-D943 PolarHBondContact O-N 3.37Å; N941-D943 PolarHBondContact OD1-N 3.1Å; N941-D943 VanDerWaalsContact OD1-N 3.08Å; N941-T944 WeakPolarHBondContact CB-OG1 3.37Å; N941-T944 PolarHBondContact ND2-OG1 3.12Å; N941-T944 VanDerWaalsContact ND2-OG1 3.13Å; N941-G945 VanDerWaalsContact O-CA 3.29Å; N941-G945 WeakPolarHBondContact O-CA 3.36Å; N941-G945 PolarHBondContact O-N 3.05Å; N941-G945 VanDerWaalsContact O-N 3.09Å; N941-C946 WeakPolarHBondContact CB-O 3.5Å; N941-C946 PolarHBondContact N-O 3.36Å; N941-I948 HydrophobicContact CB-CD1 4.01Å; N941-I948 HydrophobicContact CB-CG1 4.28Å |
| 942 | A | 52.2 | Low | 67.2 | Low | 69.5 Ų | 69.5 | 50.2 Ų | 50.2 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -37.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I920 I921 R940 | I920-A942 HydrophobicContact CG2-CB 3.75Å; I921-A942 HydrophobicContact CB-CB 3.88Å; I921-A942 HydrophobicContact CD1-CB 4.45Å; I921-A942 HydrophobicContact CG1-CB 4.22Å; R940-A942 PolarHBondContact O-N 3.2Å |
| 943 | D | 49.1 | Very low | 68.2 | Low | 150 Ų | 150 | 48.3 Ų | 48.3 | 80% | 0.802 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -30.2 | -169.7 | -53.3 | -37.6 | 0 | 0 | 0 | 113.1 | N941 | N941-D943 VanDerWaalsContact C-N 3.33Å; N941-D943 PolarHBondContact O-N 3.37Å; N941-D943 PolarHBondContact OD1-N 3.1Å; N941-D943 VanDerWaalsContact OD1-N 3.08Å |
| 944 | T | 54.2 | Low | 69.2 | Low | 83.75 Ų | 83.75 | 46.5 Ų | 46.5 | 51% | 0.514 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -8.5 | -175.9 | 61.3 | 0 | 0 | 0 | 0 | 114 | N941 C946 | N941-T944 WeakPolarHBondContact CB-OG1 3.37Å; N941-T944 PolarHBondContact ND2-OG1 3.12Å; N941-T944 VanDerWaalsContact ND2-OG1 3.13Å; T944-C946 PolarHBondContact O-N 3.25Å; T944-C946 PolarHBondContact O-SG 3.14Å; T944-C946 VanDerWaalsContact O-SG 3.4Å; T944-C946 WeakPolarHBondContact OG1-CB 3.39Å; T944-C946 PolarHBondContact OG1-N 3.17Å; T944-C946 PolarHBondContact OG1-SG 2.98Å |
| 945 | G | 57.8 | Low | 69.9 | Low | 39 Ų | 39 | 46.2 Ų | 46.2 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | trans | 66.3 | -5.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R940 N941 | R940-G945 VanDerWaalsContact CG-O 3.29Å; R940-G945 WeakPolarHBondContact CG-O 3.37Å; R940-G945 PolarHBondContact NE-O 3.12Å; R940-G945 VanDerWaalsContact NE-O 3.13Å; R940-G945 PolarHBondContact NH2-O 3.12Å; N941-G945 VanDerWaalsContact O-CA 3.29Å; N941-G945 WeakPolarHBondContact O-CA 3.36Å; N941-G945 PolarHBondContact O-N 3.05Å; N941-G945 VanDerWaalsContact O-N 3.09Å | ||
| 946 | C | 60.1 | Low | 71 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -68 | 146.2 | -177.3 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | N941 T944 | N941-C946 WeakPolarHBondContact CB-O 3.5Å; N941-C946 PolarHBondContact N-O 3.36Å; T944-C946 PolarHBondContact O-N 3.25Å; T944-C946 PolarHBondContact O-SG 3.14Å; T944-C946 VanDerWaalsContact O-SG 3.4Å; T944-C946 WeakPolarHBondContact OG1-CB 3.39Å; T944-C946 PolarHBondContact OG1-N 3.17Å; T944-C946 PolarHBondContact OG1-SG 2.98Å |
| 947 | F | 68.4 | Low | 72.3 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.7 | 174 | -64.7 | -84.4 | 0 | 0 | 0 | 110.9 | L938 R940 F993 Y1058 | L938-F947 HydrophobicContact CD1-CB 3.99Å; L938-F947 HydrophobicContact CD2-CB 4.05Å; L938-F947 HydrophobicContact CD2-CD1 3.4Å; L938-F947 HydrophobicContact CD2-CE1 3.97Å; L938-F947 HydrophobicContact CD2-CG 3.88Å; L938-F947 HydrophobicContact CG-CB 3.92Å; L938-F947 HydrophobicContact CG-CD1 3.73Å; L938-F947 HydrophobicContact CG-CE1 4.48Å; L938-F947 HydrophobicContact CG-CG 4.19Å; R940-F947 HydrophobicContact CB-CD1 4.34Å; R940-F947 HydrophobicContact CB-CE1 4.4Å; R940-F947 HydrophobicContact CG-CD1 3.94Å; R940-F947 HydrophobicContact CG-CE1 3.91Å; R940-F947 HydrophobicContact CG-CG 4.45Å; R940-F947 HydrophobicContact CG-CZ 4.45Å; F947-F993 HydrophobicContact CZ-CE1 4.05Å; F947-F993 HydrophobicContact CZ-CZ 4.32Å; F947-Y1058 HydrophobicContact CB-CD2 4.43Å; F947-Y1058 HydrophobicContact CB-CE2 3.86Å; F947-Y1058 AromaticContact CD2-CD2 3.97Å; F947-Y1058 HydrophobicContact CD2-CD2 4.05Å; F947-Y1058 AromaticContact CD2-CE2 3.59Å; F947-Y1058 HydrophobicContact CD2-CE2 3.59Å; F947-Y1058 VanDerWaalsContact CD2-CE2 3.49Å; F947-Y1058 HydrophobicContact CE2-CD2 4.45Å; F947-Y1058 HydrophobicContact CE2-CE2 4.33Å; F947-Y1058 HydrophobicContact CG-CD2 4.21Å; F947-Y1058 AromaticContact CG-CE2 3.85Å; F947-Y1058 HydrophobicContact CG-CE2 3.89Å |
| 948 | I | 74.8 | Confident | 73.4 | Confident | 59.25 Ų | 59.25 | 43.6 Ų | 43.6 | 30% | 0.304 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119.6 | 177.4 | -60.2 | 174.2 | 0 | 0 | 0 | 108.3 | K939 N941 | K939-I948 HydrophobicContact CB-CB 4.33Å; K939-I948 PolarHBondContact N-O 3.04Å; K939-I948 WeakPolarHBondContact O-CB 3.44Å; K939-I948 PolarHBondContact O-N 3.14Å; N941-I948 HydrophobicContact CB-CD1 4.01Å; N941-I948 HydrophobicContact CB-CG1 4.28Å |
| 949 | L | 81.3 | Confident | 74.3 | Confident | 16.25 Ų | 16.25 | 42.9 Ų | 42.9 | 9% | 0.085 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -79 | 141.3 | 172.8 | -72.3 | 164 | 0 | 0 | 0 | 110.5 | L938 Q951 L953 V954 L957 L1055 Y1058 L1059 | L938-L949 HydrophobicContact CD1-CD2 3.71Å; L938-L949 HydrophobicContact CD1-CG 4.25Å; L949-Q951 PolarHBondContact O-N 3.03Å; L949-L953 HydrophobicContact CD2-CD2 4.38Å; L949-V954 HydrophobicContact CB-CG2 3.62Å; L949-V954 HydrophobicContact CD1-CG2 4.45Å; L949-L957 HydrophobicContact CD1-CD1 4.4Å; L949-L1055 HydrophobicContact CD2-CD1 3.68Å; L949-L1055 HydrophobicContact CD2-CG 4.38Å; L949-Y1058 HydrophobicContact CD1-CE1 4.47Å; L949-Y1058 HydrophobicContact CD2-CD1 4.24Å; L949-Y1058 HydrophobicContact CD2-CE1 4.17Å; L949-Y1058 HydrophobicContact CG-CE1 4.39Å; L949-L1059 HydrophobicContact CD2-CD2 4.16Å |
| 950 | P | 82.5 | Confident | 75 | Confident | 15.75 Ų | 15.75 | 37.8 Ų | 37.8 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 130.6 | 174.1 | -27.1 | 34.8 | 0 | 0 | 0 | 112.6 | G935 E937 W952 L953 V954 L1055 | G935-P950 WeakPolarHBondContact O-CB 3.35Å; E937-P950 WeakPolarHBondContact O-CG 3.44Å; P950-W952 VanDerWaalsContact C-N 3.28Å; P950-W952 HydrophobicContact CB-CG 4.49Å; P950-W952 VanDerWaalsContact CB-NE1 3.34Å; P950-W952 PolarHBondContact O-N 3.1Å; P950-W952 VanDerWaalsContact O-N 3.12Å; P950-L953 HydrophobicContact CB-CB 4.29Å; P950-L953 WeakPolarHBondContact O-CA 3.26Å; P950-L953 WeakPolarHBondContact O-CB 3.3Å; P950-L953 PolarHBondContact O-N 3.29Å; P950-V954 PolarHBondContact O-N 3.18Å; P950-L1055 HydrophobicContact CG-CD1 4.26Å |
| 951 | Q | 82.9 | Confident | 76 | Confident | 77.25 Ų | 77.25 | 33.1 Ų | 33.1 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.6 | -36.9 | -172.8 | -170.5 | 178.7 | 34.2 | 0 | 0 | 113.6 | I805 I834 L949 L953 V954 C955 | I805-Q951 HydrophobicContact CD1-CG 4.3Å; I805-Q951 VanDerWaalsContact CD1-NE2 3.29Å; I834-Q951 HydrophobicContact CG2-CG 4.17Å; L949-Q951 PolarHBondContact O-N 3.03Å; Q951-L953 VanDerWaalsContact C-N 3.32Å; Q951-L953 PolarHBondContact O-N 3.28Å; Q951-V954 WeakPolarHBondContact O-CB 3.28Å; Q951-V954 PolarHBondContact O-N 3.19Å; Q951-C955 PolarHBondContact O-N 3.25Å; Q951-C955 PolarHBondContact O-SG 3.12Å |
| 952 | W | 88.3 | Confident | 77.1 | Confident | 8.25 Ų | 8.25 | 33.5 Ų | 33.5 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -36.8 | 176.3 | 71.6 | -92.3 | 0 | 0 | 0 | 112.9 | R797 L800 I897 G935 P950 C955 L956 L979 V1050 L1051 | R797-W952 HydrophobicContact CB-CB 4.48Å; R797-W952 HydrophobicContact CB-CD2 4.02Å; R797-W952 HydrophobicContact CB-CG 3.87Å; R797-W952 HydrophobicContact CG-CD2 4.15Å; R797-W952 HydrophobicContact CG-CG 4.5Å; R797-W952 HydrophobicContact CG-CZ2 4.32Å; R797-W952 WeakPolarHBondContact O-CB 3.35Å; L800-W952 HydrophobicContact CB-CB 4.43Å; L800-W952 HydrophobicContact CD2-CB 4.16Å; L800-W952 HydrophobicContact CD2-CE3 4.14Å; I897-W952 HydrophobicContact CG2-CZ3 4.41Å; G935-W952 PolarHBondContact O-NE1 3.25Å; P950-W952 VanDerWaalsContact C-N 3.28Å; P950-W952 HydrophobicContact CB-CG 4.49Å; P950-W952 VanDerWaalsContact CB-NE1 3.34Å; P950-W952 PolarHBondContact O-N 3.1Å; P950-W952 VanDerWaalsContact O-N 3.12Å; W952-C955 WeakPolarHBondContact O-CB 3.22Å; W952-C955 PolarHBondContact O-N 3.27Å; W952-L956 HydrophobicContact CE3-CD1 3.81Å; W952-L956 HydrophobicContact CZ3-CD1 3.72Å; W952-L956 PolarHBondContact O-N 3.03Å; W952-L956 VanDerWaalsContact O-N 3.1Å; W952-L979 HydrophobicContact CH2-CD1 4.34Å; W952-L979 HydrophobicContact CZ3-CD1 4.1Å; W952-V1050 HydrophobicContact CH2-CG1 3.56Å; W952-V1050 VanDerWaalsContact CH2-CG1 3.49Å; W952-V1050 HydrophobicContact CZ2-CG1 4.1Å; W952-V1050 HydrophobicContact CZ3-CG1 4.49Å; W952-L1051 HydrophobicContact CH2-CD2 3.91Å; W952-L1051 HydrophobicContact CZ2-CD2 4.23Å |
| 953 | L | 87.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.6 | -40.4 | 176.3 | -176.5 | 65.6 | 0 | 0 | 0 | 110.3 | L949 P950 Q951 C955 L956 L957 L976 L1051 L1055 L1059 | L949-L953 HydrophobicContact CD2-CD2 4.38Å; P950-L953 HydrophobicContact CB-CB 4.29Å; P950-L953 WeakPolarHBondContact O-CA 3.26Å; P950-L953 WeakPolarHBondContact O-CB 3.3Å; P950-L953 PolarHBondContact O-N 3.29Å; Q951-L953 VanDerWaalsContact C-N 3.32Å; Q951-L953 PolarHBondContact O-N 3.28Å; L953-C955 VanDerWaalsContact C-N 3.28Å; L953-C955 PolarHBondContact O-N 2.96Å; L953-L956 PolarHBondContact O-N 3.09Å; L953-L956 VanDerWaalsContact O-N 3.12Å; L953-L957 HydrophobicContact CD1-CG 4.45Å; L953-L957 HydrophobicContact CD2-CD1 4.42Å; L953-L957 HydrophobicContact CG-CD1 3.99Å; L953-L957 HydrophobicContact CG-CG 4.34Å; L953-L957 WeakPolarHBondContact O-CB 3.3Å; L953-L957 VanDerWaalsContact O-CG 3.24Å; L953-L957 WeakPolarHBondContact O-CG 3.26Å; L953-L957 PolarHBondContact O-N 3.09Å; L953-L976 HydrophobicContact CD1-CD1 4.18Å; L953-L1051 HydrophobicContact CD1-CD2 4.18Å; L953-L1051 HydrophobicContact CD2-CD2 4.19Å; L953-L1055 HydrophobicContact CD2-CD1 4Å; L953-L1055 HydrophobicContact CD2-CD2 3.77Å; L953-L1055 HydrophobicContact CD2-CG 4.34Å; L953-L1059 HydrophobicContact CD2-CD1 4.42Å |
| 954 | V | 87.3 | Confident | 80 | Confident | 6.25 Ų | 6.25 | 30.3 Ų | 30.3 | 4% | 0.038 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56 | -42.8 | 170.6 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | M815 I819 L949 P950 Q951 L956 L957 Y958 | M815-V954 HydrophobicContact CB-CG1 4.13Å; M815-V954 HydrophobicContact CE-CB 4.19Å; M815-V954 HydrophobicContact CE-CG1 3.85Å; M815-V954 HydrophobicContact SD-CG1 4.23Å; I819-V954 HydrophobicContact CD1-CB 4.45Å; I819-V954 HydrophobicContact CD1-CG1 3.77Å; I819-V954 HydrophobicContact CD1-CG2 3.87Å; I819-V954 HydrophobicContact CG1-CG1 4.16Å; I819-V954 HydrophobicContact CG1-CG2 4.45Å; L949-V954 HydrophobicContact CB-CG2 3.62Å; L949-V954 HydrophobicContact CD1-CG2 4.45Å; P950-V954 PolarHBondContact O-N 3.18Å; Q951-V954 WeakPolarHBondContact O-CB 3.28Å; Q951-V954 PolarHBondContact O-N 3.19Å; V954-L956 PolarHBondContact O-N 3.32Å; V954-L957 PolarHBondContact O-N 3.36Å; V954-Y958 VanDerWaalsContact O-CB 3.26Å; V954-Y958 WeakPolarHBondContact O-CB 3.29Å; V954-Y958 PolarHBondContact O-N 3.15Å |
| 955 | C | 87.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.9 | -66 | 0 | 0 | 0 | 0 | 112.8 | C804 F810 M815 Q951 W952 L953 A959 | C804-C955 HydrophobicContact CB-CB 3.61Å; F810-C955 HydrophobicContact CD2-CB 4.25Å; F810-C955 HydrophobicContact CE2-CB 4.34Å; M815-C955 WeakPolarHBondContact CE-SG 3.34Å; M815-C955 VanDerWaalsContact SD-SG 3.67Å; Q951-C955 PolarHBondContact O-N 3.25Å; Q951-C955 PolarHBondContact O-SG 3.12Å; W952-C955 WeakPolarHBondContact O-CB 3.22Å; W952-C955 PolarHBondContact O-N 3.27Å; L953-C955 VanDerWaalsContact C-N 3.28Å; L953-C955 PolarHBondContact O-N 2.96Å; C955-A959 WeakPolarHBondContact O-CB 3.39Å; C955-A959 PolarHBondContact O-N 3.31Å |
| 956 | L | 88.6 | Confident | 82.8 | Confident | 0.5 Ų | 0.5 | 27.6 Ų | 27.6 | 0% | 0.003 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.5 | -41.8 | 175.6 | -73.3 | 174.4 | 0 | 0 | 0 | 112.5 | L800 F890 W952 L953 V954 A959 S960 A972 T975 L976 L979 | L800-L956 HydrophobicContact CD2-CD1 3.92Å; L800-L956 HydrophobicContact CD2-CD2 4.04Å; L800-L956 HydrophobicContact CD2-CG 3.81Å; F890-L956 HydrophobicContact CE2-CD2 4.5Å; F890-L956 HydrophobicContact CZ-CD2 4.15Å; W952-L956 HydrophobicContact CE3-CD1 3.81Å; W952-L956 HydrophobicContact CZ3-CD1 3.72Å; W952-L956 PolarHBondContact O-N 3.03Å; W952-L956 VanDerWaalsContact O-N 3.1Å; L953-L956 PolarHBondContact O-N 3.09Å; L953-L956 VanDerWaalsContact O-N 3.12Å; V954-L956 PolarHBondContact O-N 3.32Å; L956-A959 PolarHBondContact O-N 3.11Å; L956-S960 VanDerWaalsContact O-CB 3.32Å; L956-S960 WeakPolarHBondContact O-CB 3.29Å; L956-S960 PolarHBondContact O-N 3.25Å; L956-S960 PolarHBondContact O-OG 2.95Å; L956-A972 HydrophobicContact CD2-CB 4.22Å; L956-T975 HydrophobicContact CD1-CG2 4.29Å; L956-T975 HydrophobicContact CD2-CG2 4.4Å; L956-L976 HydrophobicContact CB-CD1 4.08Å; L956-L979 HydrophobicContact CD1-CD1 4.37Å |
| 957 | L | 88.5 | Confident | 83.9 | Confident | 7.25 Ų | 7.25 | 27.6 Ų | 27.6 | 4% | 0.038 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | 175.8 | -68.5 | 168 | 0 | 0 | 0 | 110.4 | F818 L949 L953 V954 A959 S960 C961 L976 L1059 L1065 | F818-L957 VanDerWaalsContact CE1-C 3.49Å; F818-L957 HydrophobicContact CE1-CB 3.82Å; F818-L957 VanDerWaalsContact CZ-C 3.42Å; F818-L957 HydrophobicContact CZ-CB 4.18Å; F818-L957 VanDerWaalsContact CZ-O 3.27Å; F818-L957 WeakPolarHBondContact CZ-O 3.31Å; L949-L957 HydrophobicContact CD1-CD1 4.4Å; L953-L957 HydrophobicContact CD1-CG 4.45Å; L953-L957 HydrophobicContact CD2-CD1 4.42Å; L953-L957 HydrophobicContact CG-CD1 3.99Å; L953-L957 HydrophobicContact CG-CG 4.34Å; L953-L957 WeakPolarHBondContact O-CB 3.3Å; L953-L957 VanDerWaalsContact O-CG 3.24Å; L953-L957 WeakPolarHBondContact O-CG 3.26Å; L953-L957 PolarHBondContact O-N 3.09Å; V954-L957 PolarHBondContact O-N 3.36Å; L957-A959 VanDerWaalsContact C-N 3.33Å; L957-A959 PolarHBondContact O-N 3.06Å; L957-S960 WeakPolarHBondContact CA-OG 3.33Å; L957-S960 PolarHBondContact O-N 3.01Å; L957-S960 VanDerWaalsContact O-N 3.15Å; L957-S960 PolarHBondContact O-OG 3.12Å; L957-S960 VanDerWaalsContact O-OG 3.06Å; L957-C961 WeakPolarHBondContact O-CB 3.48Å; L957-C961 PolarHBondContact O-N 3.07Å; L957-C961 VanDerWaalsContact O-N 3.12Å; L957-C961 PolarHBondContact O-SG 3.39Å; L957-C961 VanDerWaalsContact O-SG 3.36Å; L957-L976 HydrophobicContact CD2-CD1 3.78Å; L957-L976 HydrophobicContact CD2-CD2 3.98Å; L957-L976 HydrophobicContact CD2-CG 4.47Å; L957-L976 HydrophobicContact CG-CD1 4.12Å; L957-L1059 HydrophobicContact CD1-CD2 4.32Å; L957-L1065 HydrophobicContact CD2-CD1 3.64Å; L957-L1065 HydrophobicContact CD2-CD2 3.48Å; L957-L1065 VanDerWaalsContact CD2-CD2 3.46Å; L957-L1065 HydrophobicContact CD2-CG 4.22Å |
| 958 | Y | 88.8 | Confident | 84.7 | Confident | 12.75 Ų | 12.75 | 26 Ų | 26 | 5% | 0.05 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 176.2 | -178.4 | -107.2 | 0 | 0 | 0 | 111.6 | F810 K814 M815 F818 V954 S960 C961 D962 L963 | F810-Y958 HydrophobicContact CB-CD1 4.36Å; F810-Y958 HydrophobicContact CB-CE1 4.33Å; F810-Y958 HydrophobicContact CD1-CD1 4.46Å; F810-Y958 HydrophobicContact CD1-CE1 4.38Å; F810-Y958 AromaticContact CD2-CD1 3.84Å; F810-Y958 HydrophobicContact CD2-CD1 3.84Å; F810-Y958 HydrophobicContact CD2-CE1 4.35Å; F810-Y958 HydrophobicContact CE2-CD1 4.31Å; F810-Y958 AromaticContact CG-CD1 3.95Å; F810-Y958 HydrophobicContact CG-CD1 4.01Å; F810-Y958 HydrophobicContact CG-CE1 4.16Å; K814-Y958 HydrophobicContact CB-CE2 4.04Å; M815-Y958 HydrophobicContact CG-CD1 3.93Å; M815-Y958 HydrophobicContact CG-CD2 4.09Å; M815-Y958 HydrophobicContact CG-CE1 4.34Å; M815-Y958 HydrophobicContact CG-CE2 4.44Å; M815-Y958 HydrophobicContact CG-CG 3.78Å; M815-Y958 HydrophobicContact SD-CD1 4.32Å; M815-Y958 HydrophobicContact SD-CG 4.39Å; F818-Y958 HydrophobicContact CB-CD2 3.82Å; F818-Y958 HydrophobicContact CB-CE2 4.24Å; F818-Y958 AromaticContact CD1-CD2 3.91Å; F818-Y958 HydrophobicContact CD1-CD2 3.91Å; F818-Y958 HydrophobicContact CD1-CG 4.47Å; F818-Y958 HydrophobicContact CD2-CD2 4.31Å; F818-Y958 VanDerWaalsContact CE1-CA 3.45Å; F818-Y958 VanDerWaalsContact CE1-N 3.31Å; F818-Y958 AromaticContact CG-CD2 3.74Å; F818-Y958 HydrophobicContact CG-CD2 3.74Å; F818-Y958 HydrophobicContact CG-CE2 4.42Å; V954-Y958 VanDerWaalsContact O-CB 3.26Å; V954-Y958 WeakPolarHBondContact O-CB 3.29Å; V954-Y958 PolarHBondContact O-N 3.15Å; Y958-S960 VanDerWaalsContact C-N 3.33Å; Y958-S960 PolarHBondContact O-N 3.21Å; Y958-C961 PolarHBondContact O-N 3.24Å; Y958-D962 HydrophobicContact CD2-CB 3.86Å; Y958-D962 HydrophobicContact CE2-CB 3.58Å; Y958-D962 VanDerWaalsContact CE2-CB 3.41Å; Y958-D962 WeakPolarHBondContact CE2-OD2 3.37Å; Y958-D962 PolarHBondContact O-N 3.02Å; Y958-D962 PolarHBondContact OH-OD2 2.87Å; Y958-L963 HydrophobicContact CD1-CD2 4.39Å; Y958-L963 HydrophobicContact CE1-CD2 3.85Å; Y958-L963 HydrophobicContact CE1-CG 4.43Å |
| 959 | A | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | F810 C955 L956 L957 C961 L963 I968 K969 A972 | F810-A959 HydrophobicContact CE2-CB 3.92Å; F810-A959 HydrophobicContact CZ-CB 3.9Å; C955-A959 WeakPolarHBondContact O-CB 3.39Å; C955-A959 PolarHBondContact O-N 3.31Å; L956-A959 PolarHBondContact O-N 3.11Å; L957-A959 VanDerWaalsContact C-N 3.33Å; L957-A959 PolarHBondContact O-N 3.06Å; A959-C961 VanDerWaalsContact C-N 3.32Å; A959-C961 PolarHBondContact O-N 3.12Å; A959-L963 HydrophobicContact CB-CD1 3.9Å; A959-I968 HydrophobicContact CB-CG2 4.28Å; A959-K969 VanDerWaalsContact O-CA 3.3Å; A959-K969 WeakPolarHBondContact O-CA 3.29Å; A959-K969 WeakPolarHBondContact O-CB 3.33Å; A959-A972 HydrophobicContact CB-CB 3.55Å |
| 960 | S | 85.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.5 | -20 | 179.7 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | L956 L957 Y958 K969 | L956-S960 VanDerWaalsContact O-CB 3.32Å; L956-S960 WeakPolarHBondContact O-CB 3.29Å; L956-S960 PolarHBondContact O-N 3.25Å; L956-S960 PolarHBondContact O-OG 2.95Å; L957-S960 WeakPolarHBondContact CA-OG 3.33Å; L957-S960 PolarHBondContact O-N 3.01Å; L957-S960 VanDerWaalsContact O-N 3.15Å; L957-S960 PolarHBondContact O-OG 3.12Å; L957-S960 VanDerWaalsContact O-OG 3.06Å; Y958-S960 VanDerWaalsContact C-N 3.33Å; Y958-S960 PolarHBondContact O-N 3.21Å; S960-K969 VanDerWaalsContact O-CE 3.29Å; S960-K969 WeakPolarHBondContact O-CE 3.4Å; S960-K969 WeakPolarHBondContact O-CG 3.35Å |
| 961 | C | 83.9 | Confident | 85.9 | Confident | 7.75 Ų | 7.75 | 22.9 Ų | 22.9 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -110.7 | -56.7 | -174.7 | -67.9 | 0 | 0 | 0 | 0 | 114.8 | F818 L957 Y958 A959 K969 Y1068 L1069 S1072 | F818-C961 HydrophobicContact CD2-CB 4.38Å; F818-C961 HydrophobicContact CE2-CB 3.25Å; F818-C961 HydrophobicContact CZ-CB 3.52Å; F818-C961 VanDerWaalsContact CZ-CB 3.45Å; L957-C961 WeakPolarHBondContact O-CB 3.48Å; L957-C961 PolarHBondContact O-N 3.07Å; L957-C961 VanDerWaalsContact O-N 3.12Å; L957-C961 PolarHBondContact O-SG 3.39Å; L957-C961 VanDerWaalsContact O-SG 3.36Å; Y958-C961 PolarHBondContact O-N 3.24Å; A959-C961 VanDerWaalsContact C-N 3.32Å; A959-C961 PolarHBondContact O-N 3.12Å; C961-K969 VanDerWaalsContact O-CE 3.27Å; C961-K969 WeakPolarHBondContact O-CE 3.3Å; C961-K969 PolarHBondContact O-NZ 2.96Å; C961-Y1068 HydrophobicContact CB-CD1 3.78Å; C961-Y1068 HydrophobicContact CB-CE1 3.8Å; C961-L1069 WeakPolarHBondContact SG-CD2 3.3Å; C961-S1072 PolarHBondContact O-OG 3.18Å |
| 962 | D | 82.4 | Confident | 86.3 | Confident | 52.75 Ų | 52.75 | 19.2 Ų | 19.2 | 28% | 0.282 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -17.2 | -161.3 | -146.6 | 51.3 | 0 | 0 | 0 | 113.6 | F818 R821 Y958 | F818-D962 HydrophobicContact CD2-CB 4.14Å; F818-D962 HydrophobicContact CE2-CB 4.42Å; R821-D962 IonicContact CZ-OD1 2.86Å; R821-D962 IonicContact CZ-OD2 2.65Å; R821-D962 VanDerWaalsContact NH1-CG 3.32Å; R821-D962 IonicContact NH1-OD1 2.86Å; R821-D962 PolarHBondContact NH1-OD1 3.19Å; R821-D962 IonicContact NH1-OD2 3.22Å; R821-D962 PolarHBondContact NH1-OD2 3.37Å; R821-D962 VanDerWaalsContact NH1-OD2 3.08Å; R821-D962 IonicContact NH2-OD1 3.49Å; R821-D962 IonicContact NH2-OD2 2.76Å; R821-D962 PolarHBondContact NH2-OD2 3.48Å; Y958-D962 HydrophobicContact CD2-CB 3.86Å; Y958-D962 HydrophobicContact CE2-CB 3.58Å; Y958-D962 VanDerWaalsContact CE2-CB 3.41Å; Y958-D962 WeakPolarHBondContact CE2-OD2 3.37Å; Y958-D962 PolarHBondContact O-N 3.02Å; Y958-D962 PolarHBondContact OH-OD2 2.87Å |
| 963 | L | 82.2 | Confident | 86.3 | Confident | 28 Ų | 28 | 18.9 Ų | 18.9 | 15% | 0.147 | 10% | 0.1 | C | C | . | . | trans | -72 | 135.6 | -179.9 | -66.3 | -178.5 | 0 | 0 | 0 | 113.7 | F810 Y958 A959 N965 I968 K969 Y1076 | F810-L963 HydrophobicContact CD1-CD2 4.37Å; F810-L963 HydrophobicContact CE1-CD1 3.73Å; F810-L963 HydrophobicContact CE1-CD2 4.2Å; F810-L963 HydrophobicContact CE1-CG 4.46Å; F810-L963 HydrophobicContact CZ-CD1 3.72Å; Y958-L963 HydrophobicContact CD1-CD2 4.39Å; Y958-L963 HydrophobicContact CE1-CD2 3.85Å; Y958-L963 HydrophobicContact CE1-CG 4.43Å; A959-L963 HydrophobicContact CB-CD1 3.9Å; L963-N965 VanDerWaalsContact C-N 3.33Å; L963-N965 PolarHBondContact O-N 2.93Å; L963-I968 HydrophobicContact CD1-CB 4.14Å; L963-I968 HydrophobicContact CD1-CG2 3.62Å; L963-K969 WeakPolarHBondContact O-CE 3.38Å; L963-K969 PolarHBondContact O-NZ 3.33Å; L963-Y1076 PolarHBondContact O-OH 3.22Å | ||
| 964 | D | 79.6 | Confident | 86.2 | Confident | 123.5 Ų | 123.5 | 19.4 Ų | 19.4 | 66% | 0.66 | 10% | 0.102 | S | C | * | . | S | Bend | trans | -71.6 | -24.5 | 172 | -63 | -61.8 | 0 | 0 | 0 | 113.4 | F966 R1075 Y1076 | D964-F966 PolarHBondContact O-N 3.32Å; D964-F966 VanDerWaalsContact O-N 3.1Å; D964-R1075 IonicContact OD1-CZ 2.92Å; D964-R1075 IonicContact OD1-NH1 3.35Å; D964-R1075 PolarHBondContact OD1-NH1 3.3Å; D964-R1075 IonicContact OD1-NH2 3.55Å; D964-R1075 PolarHBondContact OD1-NH2 3.08Å; D964-Y1076 PolarHBondContact O-OH 3.12Å; D964-Y1076 VanDerWaalsContact O-OH 3.13Å |
| 965 | N | 84.2 | Confident | 86.2 | Confident | 64 Ų | 64 | 19.4 Ų | 19.4 | 34% | 0.342 | 10% | 0.102 | S | C | . | . | trans | -76.1 | 97.3 | -179.4 | -174.6 | -12.4 | 0 | 0 | 0 | 111.3 | L963 N967 I968 K969 | L963-N965 VanDerWaalsContact C-N 3.33Å; L963-N965 PolarHBondContact O-N 2.93Å; N965-N967 PolarHBondContact O-N 3.16Å; N965-N967 VanDerWaalsContact O-N 3.08Å; N965-N967 VanDerWaalsContact OD1-CB 3.3Å; N965-N967 WeakPolarHBondContact OD1-CB 3.31Å; N965-N967 PolarHBondContact OD1-N 3.19Å; N965-N967 VanDerWaalsContact OD1-N 3.09Å; N965-I968 HydrophobicContact CB-CD1 4.42Å; N965-I968 HydrophobicContact CB-CG1 4.49Å; N965-I968 PolarHBondContact O-N 3.14Å; N965-I968 VanDerWaalsContact O-N 3.15Å; N965-K969 WeakPolarHBondContact O-CB 3.27Å; N965-K969 PolarHBondContact O-N 3.15Å; N965-K969 VanDerWaalsContact O-N 3.09Å | ||
| 966 | F | 85.7 | Confident | 86.2 | Confident | 3.5 Ų | 3.5 | 19.4 Ų | 19.4 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.8 | -29.7 | 179.2 | -172.3 | -92.7 | 0 | 0 | 0 | 114 | D964 K969 S970 Y1076 Y1084 D1087 T1088 L1091 | D964-F966 PolarHBondContact O-N 3.32Å; D964-F966 VanDerWaalsContact O-N 3.1Å; F966-K969 PolarHBondContact O-N 2.9Å; F966-S970 VanDerWaalsContact O-CB 3.28Å; F966-S970 WeakPolarHBondContact O-CB 3.37Å; F966-S970 PolarHBondContact O-N 3.36Å; F966-S970 PolarHBondContact O-OG 2.94Å; F966-Y1076 HydrophobicContact CB-CD1 4.4Å; F966-Y1076 HydrophobicContact CB-CE1 3.94Å; F966-Y1076 AromaticContact CD2-CD1 3.65Å; F966-Y1076 HydrophobicContact CD2-CD1 3.65Å; F966-Y1076 AromaticContact CD2-CD2 3.85Å; F966-Y1076 HydrophobicContact CD2-CD2 3.85Å; F966-Y1076 AromaticContact CD2-CE1 3.8Å; F966-Y1076 HydrophobicContact CD2-CE1 3.8Å; F966-Y1076 AromaticContact CD2-CE2 3.94Å; F966-Y1076 HydrophobicContact CD2-CE2 4Å; F966-Y1076 AromaticContact CD2-CG 3.69Å; F966-Y1076 HydrophobicContact CD2-CG 3.69Å; F966-Y1076 AromaticContact CD2-CZ 3.93Å; F966-Y1076 HydrophobicContact CE2-CD1 4.38Å; F966-Y1076 HydrophobicContact CE2-CD2 4.17Å; F966-Y1076 AromaticContact CE2-CG 3.99Å; F966-Y1076 HydrophobicContact CE2-CG 4.02Å; F966-Y1076 HydrophobicContact CG-CD1 4.36Å; F966-Y1076 HydrophobicContact CG-CE1 4.3Å; F966-Y1084 HydrophobicContact CB-CD1 4.35Å; F966-Y1084 HydrophobicContact CB-CD2 4.24Å; F966-Y1084 HydrophobicContact CB-CE1 4.3Å; F966-Y1084 HydrophobicContact CB-CE2 4.25Å; F966-Y1084 HydrophobicContact CB-CG 4.29Å; F966-Y1084 AromaticContact CD1-CD1 3.33Å; F966-Y1084 HydrophobicContact CD1-CD1 3.33Å; F966-Y1084 VanDerWaalsContact CD1-CD1 3.45Å; F966-Y1084 HydrophobicContact CD1-CD2 4.38Å; F966-Y1084 AromaticContact CD1-CE1 3.86Å; F966-Y1084 HydrophobicContact CD1-CE1 3.91Å; F966-Y1084 AromaticContact CD1-CG 3.6Å; F966-Y1084 HydrophobicContact CD1-CG 3.6Å; F966-Y1084 HydrophobicContact CD2-CG 4.42Å; F966-Y1084 AromaticContact CE1-CD1 3.83Å; F966-Y1084 HydrophobicContact CE1-CD1 3.83Å; F966-Y1084 AromaticContact CE1-CG 3.98Å; F966-Y1084 HydrophobicContact CE1-CG 4.04Å; F966-Y1084 AromaticContact CG-CD1 3.87Å; F966-Y1084 HydrophobicContact CG-CD1 3.97Å; F966-Y1084 HydrophobicContact CG-CD2 4.22Å; F966-Y1084 HydrophobicContact CG-CE1 4.38Å; F966-Y1084 AromaticContact CG-CG 3.84Å; F966-Y1084 HydrophobicContact CG-CG 3.84Å; F966-D1087 HydrophobicContact CE1-CB 3.71Å; F966-D1087 HydrophobicContact CZ-CB 3.84Å; F966-T1088 VanDerWaalsContact CE2-OG1 3.28Å; F966-T1088 WeakPolarHBondContact CE2-OG1 3.35Å; F966-T1088 VanDerWaalsContact CZ-OG1 3.3Å; F966-T1088 WeakPolarHBondContact CZ-OG1 3.36Å; F966-L1091 HydrophobicContact CZ-CD1 4.22Å |
| 967 | N | 84.5 | Confident | 86.1 | Confident | 46 Ų | 46 | 19.6 Ų | 19.6 | 25% | 0.246 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.9 | -48.6 | 179.6 | -64.1 | -26.5 | 0 | 0 | 0 | 111.4 | I887 N965 S970 I971 R1211 | I887-N967 HydrophobicContact CD1-CB 4.2Å; I887-N967 HydrophobicContact CG2-CB 4.15Å; N965-N967 PolarHBondContact O-N 3.16Å; N965-N967 VanDerWaalsContact O-N 3.08Å; N965-N967 VanDerWaalsContact OD1-CB 3.3Å; N965-N967 WeakPolarHBondContact OD1-CB 3.31Å; N965-N967 PolarHBondContact OD1-N 3.19Å; N965-N967 VanDerWaalsContact OD1-N 3.09Å; N967-S970 PolarHBondContact O-OG 3.27Å; N967-S970 VanDerWaalsContact O-OG 3.09Å; N967-I971 VanDerWaalsContact O-CD1 3.29Å; N967-I971 WeakPolarHBondContact O-CD1 3.28Å; N967-I971 VanDerWaalsContact O-CG1 3.27Å; N967-I971 WeakPolarHBondContact O-CG1 3.46Å; N967-I971 PolarHBondContact O-N 3.05Å; N967-I971 VanDerWaalsContact O-N 3.14Å; N967-R1211 VanDerWaalsContact OD1-CZ 3.24Å; N967-R1211 PolarHBondContact OD1-NH1 3.22Å; N967-R1211 PolarHBondContact OD1-NH2 3.26Å |
| 968 | I | 86 | Confident | 85.9 | Confident | 16.75 Ų | 16.75 | 20.9 Ų | 20.9 | 9% | 0.086 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.2 | -42.6 | 177.3 | -59.6 | 175.8 | 0 | 0 | 0 | 109.7 | L808 F810 I887 F890 A959 L963 N965 S970 I971 A972 | L808-I968 HydrophobicContact CD1-CG2 4.46Å; F810-I968 HydrophobicContact CZ-CG2 4.38Å; I887-I968 HydrophobicContact CG1-CD1 4.36Å; I887-I968 HydrophobicContact CG1-CG1 3.98Å; F890-I968 HydrophobicContact CD1-CG2 4.04Å; F890-I968 HydrophobicContact CE1-CG2 3.72Å; F890-I968 HydrophobicContact CZ-CG2 4.27Å; A959-I968 HydrophobicContact CB-CG2 4.28Å; L963-I968 HydrophobicContact CD1-CB 4.14Å; L963-I968 HydrophobicContact CD1-CG2 3.62Å; N965-I968 HydrophobicContact CB-CD1 4.42Å; N965-I968 HydrophobicContact CB-CG1 4.49Å; N965-I968 PolarHBondContact O-N 3.14Å; N965-I968 VanDerWaalsContact O-N 3.15Å; I968-S970 PolarHBondContact O-N 3.09Å; I968-I971 PolarHBondContact O-N 3.08Å; I968-A972 WeakPolarHBondContact O-CB 3.38Å; I968-A972 PolarHBondContact O-N 3.32Å |
| 969 | K | 89.7 | Confident | 85.7 | Confident | 6.5 Ų | 6.5 | 20.3 Ų | 20.3 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 177.7 | 171.4 | 167.5 | -76.1 | 173.1 | 0 | 113.2 | A959 S960 C961 L963 N965 F966 A972 L973 S1072 Y1076 | A959-K969 VanDerWaalsContact O-CA 3.3Å; A959-K969 WeakPolarHBondContact O-CA 3.29Å; A959-K969 WeakPolarHBondContact O-CB 3.33Å; S960-K969 VanDerWaalsContact O-CE 3.29Å; S960-K969 WeakPolarHBondContact O-CE 3.4Å; S960-K969 WeakPolarHBondContact O-CG 3.35Å; C961-K969 VanDerWaalsContact O-CE 3.27Å; C961-K969 WeakPolarHBondContact O-CE 3.3Å; C961-K969 PolarHBondContact O-NZ 2.96Å; L963-K969 WeakPolarHBondContact O-CE 3.38Å; L963-K969 PolarHBondContact O-NZ 3.33Å; N965-K969 WeakPolarHBondContact O-CB 3.27Å; N965-K969 PolarHBondContact O-N 3.15Å; N965-K969 VanDerWaalsContact O-N 3.09Å; F966-K969 PolarHBondContact O-N 2.9Å; K969-A972 PolarHBondContact O-N 2.96Å; K969-L973 VanDerWaalsContact O-CB 3.25Å; K969-L973 WeakPolarHBondContact O-CB 3.39Å; K969-L973 PolarHBondContact O-N 3.07Å; K969-S1072 WeakPolarHBondContact CE-OG 3.21Å; K969-S1072 PolarHBondContact NZ-OG 3.16Å; K969-Y1076 HydrophobicContact CD-CE2 3.77Å; K969-Y1076 PolarHBondContact NZ-OH 3.19Å; K969-Y1076 VanDerWaalsContact NZ-OH 3.13Å |
| 970 | S | 87.5 | Confident | 85.6 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 178.3 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | F966 N967 I968 A972 L973 Y974 R1211 | F966-S970 VanDerWaalsContact O-CB 3.28Å; F966-S970 WeakPolarHBondContact O-CB 3.37Å; F966-S970 PolarHBondContact O-N 3.36Å; F966-S970 PolarHBondContact O-OG 2.94Å; N967-S970 PolarHBondContact O-OG 3.27Å; N967-S970 VanDerWaalsContact O-OG 3.09Å; I968-S970 PolarHBondContact O-N 3.09Å; S970-A972 PolarHBondContact O-N 2.89Å; S970-L973 PolarHBondContact O-N 3.3Å; S970-Y974 WeakPolarHBondContact O-CB 3.36Å; S970-Y974 VanDerWaalsContact O-CD2 3.23Å; S970-Y974 WeakPolarHBondContact O-CD2 3.42Å; S970-Y974 PolarHBondContact O-N 3.09Å; S970-R1211 PolarHBondContact OG-NH1 3.06Å |
| 971 | I | 86.3 | Confident | 85.4 | Confident | 17 Ų | 17 | 23.8 Ų | 23.8 | 9% | 0.087 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -51.8 | 173.7 | -67.7 | 160.5 | 0 | 0 | 0 | 110.7 | I887 F890 A891 C894 N967 I968 L973 Y974 T975 | I887-I971 HydrophobicContact CG2-CD1 3.64Å; F890-I971 HydrophobicContact CD1-CB 4.17Å; F890-I971 HydrophobicContact CD1-CD1 4.38Å; F890-I971 HydrophobicContact CD1-CG2 3.67Å; F890-I971 HydrophobicContact CE1-CB 4.03Å; F890-I971 HydrophobicContact CE1-CG2 3.63Å; A891-I971 HydrophobicContact CB-CD1 3.96Å; A891-I971 HydrophobicContact CB-CG1 4.42Å; A891-I971 HydrophobicContact CB-CG2 4.27Å; C894-I971 HydrophobicContact CB-CG2 3.99Å; N967-I971 VanDerWaalsContact O-CD1 3.29Å; N967-I971 WeakPolarHBondContact O-CD1 3.28Å; N967-I971 VanDerWaalsContact O-CG1 3.27Å; N967-I971 WeakPolarHBondContact O-CG1 3.46Å; N967-I971 PolarHBondContact O-N 3.05Å; N967-I971 VanDerWaalsContact O-N 3.14Å; I968-I971 PolarHBondContact O-N 3.08Å; I971-L973 VanDerWaalsContact C-N 3.33Å; I971-L973 PolarHBondContact O-N 3.3Å; I971-Y974 PolarHBondContact O-N 3.28Å; I971-T975 WeakPolarHBondContact O-CB 3.28Å; I971-T975 PolarHBondContact O-N 3.2Å; I971-T975 VanDerWaalsContact O-N 3.08Å; I971-T975 PolarHBondContact O-OG1 3.34Å |
| 972 | A | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | F890 L956 A959 I968 K969 S970 T975 L976 | F890-A972 HydrophobicContact CE1-CB 4.16Å; F890-A972 HydrophobicContact CZ-CB 4.06Å; L956-A972 HydrophobicContact CD2-CB 4.22Å; A959-A972 HydrophobicContact CB-CB 3.55Å; I968-A972 WeakPolarHBondContact O-CB 3.38Å; I968-A972 PolarHBondContact O-N 3.32Å; K969-A972 PolarHBondContact O-N 2.96Å; S970-A972 PolarHBondContact O-N 2.89Å; A972-T975 WeakPolarHBondContact O-CB 3.28Å; A972-T975 PolarHBondContact O-N 2.92Å; A972-T975 PolarHBondContact O-OG1 3.07Å; A972-L976 VanDerWaalsContact O-CB 3.29Å; A972-L976 WeakPolarHBondContact O-CB 3.33Å; A972-L976 PolarHBondContact O-N 3.29Å |
| 973 | L | 89 | Confident | 85 | Confident | 0.75 Ų | 0.75 | 22.2 Ų | 22.2 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.2 | -36.2 | 178.7 | -173.6 | 52.8 | 0 | 0 | 0 | 112.7 | K969 S970 I971 T975 L976 I977 L1069 L1073 L1091 L1095 | K969-L973 VanDerWaalsContact O-CB 3.25Å; K969-L973 WeakPolarHBondContact O-CB 3.39Å; K969-L973 PolarHBondContact O-N 3.07Å; S970-L973 PolarHBondContact O-N 3.3Å; I971-L973 VanDerWaalsContact C-N 3.33Å; I971-L973 PolarHBondContact O-N 3.3Å; L973-T975 VanDerWaalsContact C-N 3.32Å; L973-L976 HydrophobicContact CD1-CB 4.45Å; L973-L976 HydrophobicContact CD1-CD2 4.1Å; L973-L976 PolarHBondContact O-N 2.96Å; L973-I977 HydrophobicContact CD1-CD1 4.02Å; L973-I977 HydrophobicContact CD1-CG1 4.06Å; L973-I977 HydrophobicContact CG-CD1 3.89Å; L973-I977 HydrophobicContact CG-CG1 4.39Å; L973-I977 VanDerWaalsContact O-CB 3.28Å; L973-I977 WeakPolarHBondContact O-CB 3.36Å; L973-I977 VanDerWaalsContact O-CG1 3.27Å; L973-I977 WeakPolarHBondContact O-CG1 3.41Å; L973-I977 PolarHBondContact O-N 3.24Å; L973-L1069 HydrophobicContact CD1-CD1 3.93Å; L973-L1069 HydrophobicContact CD1-CD2 3.69Å; L973-L1069 HydrophobicContact CD1-CG 4.39Å; L973-L1069 HydrophobicContact CD2-CD2 4.25Å; L973-L1073 HydrophobicContact CD2-CD1 3.81Å; L973-L1073 HydrophobicContact CD2-CD2 3.99Å; L973-L1073 HydrophobicContact CD2-CG 4.05Å; L973-L1091 HydrophobicContact CB-CD2 4.23Å; L973-L1091 HydrophobicContact CD2-CB 4.41Å; L973-L1091 HydrophobicContact CD2-CD1 4.45Å; L973-L1091 HydrophobicContact CD2-CD2 4.12Å; L973-L1091 HydrophobicContact CG-CD2 3.98Å; L973-L1095 HydrophobicContact CD1-CD1 4.41Å |
| 974 | Y | 86.3 | Confident | 84.7 | Confident | 10.5 Ų | 10.5 | 22.3 Ų | 22.3 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 170.8 | -81.7 | -50.7 | 0 | 0 | 0 | 110.7 | S970 I971 L976 I977 E978 D1087 S1090 L1091 R1094 L1198 A1207 R1212 | S970-Y974 WeakPolarHBondContact O-CB 3.36Å; S970-Y974 VanDerWaalsContact O-CD2 3.23Å; S970-Y974 WeakPolarHBondContact O-CD2 3.42Å; S970-Y974 PolarHBondContact O-N 3.09Å; I971-Y974 PolarHBondContact O-N 3.28Å; Y974-L976 VanDerWaalsContact C-N 3.34Å; Y974-L976 PolarHBondContact O-N 3.15Å; Y974-I977 PolarHBondContact O-N 3.08Å; Y974-E978 WeakPolarHBondContact O-CG 3.41Å; Y974-E978 PolarHBondContact O-N 3.02Å; Y974-D1087 PolarHBondContact OH-OD1 2.77Å; Y974-S1090 PolarHBondContact OH-OG 3.17Å; Y974-S1090 VanDerWaalsContact OH-OG 3.1Å; Y974-L1091 HydrophobicContact CD1-CD2 3.49Å; Y974-L1091 VanDerWaalsContact CD1-CD2 3.41Å; Y974-L1091 HydrophobicContact CD1-CG 4.3Å; Y974-L1091 HydrophobicContact CD2-CD1 4.42Å; Y974-L1091 HydrophobicContact CD2-CD2 3.99Å; Y974-L1091 HydrophobicContact CD2-CG 4.38Å; Y974-L1091 HydrophobicContact CE1-CD1 4.46Å; Y974-L1091 HydrophobicContact CE1-CD2 3.35Å; Y974-L1091 VanDerWaalsContact CE1-CD2 3.5Å; Y974-L1091 HydrophobicContact CE1-CG 3.88Å; Y974-L1091 HydrophobicContact CE2-CD1 4.06Å; Y974-L1091 HydrophobicContact CE2-CD2 3.87Å; Y974-L1091 HydrophobicContact CE2-CG 3.9Å; Y974-L1091 HydrophobicContact CG-CD2 3.88Å; Y974-L1091 VanDerWaalsContact CZ-CD2 3.48Å; Y974-R1094 VanDerWaalsContact CE1-CZ 3.47Å; Y974-L1198 HydrophobicContact CD2-CD2 4.13Å; Y974-L1198 HydrophobicContact CE2-CD2 3.29Å; Y974-A1207 HydrophobicContact CE1-CB 4.5Å; Y974-A1207 HydrophobicContact CE2-CB 3.88Å; Y974-R1212 HydrophobicContact CE2-CG 4.45Å |
| 975 | T | 86.8 | Confident | 84.4 | Confident | 6.5 Ų | 6.5 | 20 Ų | 20 | 4% | 0.04 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 177.2 | 31.2 | 0 | 0 | 0 | 0 | 112.6 | C894 V898 L956 I971 A972 L973 I977 E978 L979 | C894-T975 HydrophobicContact CB-CG2 3.6Å; C894-T975 VanDerWaalsContact CB-CG2 3.47Å; C894-T975 WeakPolarHBondContact CB-OG1 3.2Å; C894-T975 WeakPolarHBondContact O-CG2 3.26Å; C894-T975 PolarHBondContact SG-OG1 3.3Å; C894-T975 VanDerWaalsContact SG-OG1 3.39Å; V898-T975 HydrophobicContact CG2-CG2 3.8Å; L956-T975 HydrophobicContact CD1-CG2 4.29Å; L956-T975 HydrophobicContact CD2-CG2 4.4Å; I971-T975 WeakPolarHBondContact O-CB 3.28Å; I971-T975 PolarHBondContact O-N 3.2Å; I971-T975 VanDerWaalsContact O-N 3.08Å; I971-T975 PolarHBondContact O-OG1 3.34Å; A972-T975 WeakPolarHBondContact O-CB 3.28Å; A972-T975 PolarHBondContact O-N 2.92Å; A972-T975 PolarHBondContact O-OG1 3.07Å; L973-T975 VanDerWaalsContact C-N 3.32Å; T975-I977 VanDerWaalsContact C-N 3.32Å; T975-I977 PolarHBondContact O-N 3.36Å; T975-E978 PolarHBondContact O-N 3.21Å; T975-L979 HydrophobicContact CG2-CD1 4.18Å; T975-L979 WeakPolarHBondContact O-CB 3.38Å; T975-L979 VanDerWaalsContact O-CG 3.26Å; T975-L979 WeakPolarHBondContact O-CG 3.31Å; T975-L979 PolarHBondContact O-N 3.32Å |
| 976 | L | 88.6 | Confident | 83.7 | Confident | 0.5 Ų | 0.5 | 19.6 Ų | 19.6 | 0% | 0.003 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 176.9 | -168.7 | 92.5 | 0 | 0 | 0 | 112.1 | L953 L956 L957 A972 L973 Y974 L979 F980 L1069 | L953-L976 HydrophobicContact CD1-CD1 4.18Å; L956-L976 HydrophobicContact CB-CD1 4.08Å; L957-L976 HydrophobicContact CD2-CD1 3.78Å; L957-L976 HydrophobicContact CD2-CD2 3.98Å; L957-L976 HydrophobicContact CD2-CG 4.47Å; L957-L976 HydrophobicContact CG-CD1 4.12Å; A972-L976 VanDerWaalsContact O-CB 3.29Å; A972-L976 WeakPolarHBondContact O-CB 3.33Å; A972-L976 PolarHBondContact O-N 3.29Å; L973-L976 HydrophobicContact CD1-CB 4.45Å; L973-L976 HydrophobicContact CD1-CD2 4.1Å; L973-L976 PolarHBondContact O-N 2.96Å; Y974-L976 VanDerWaalsContact C-N 3.34Å; Y974-L976 PolarHBondContact O-N 3.15Å; L976-L979 PolarHBondContact O-N 2.74Å; L976-F980 HydrophobicContact CD1-CE1 4.15Å; L976-F980 HydrophobicContact CD1-CE2 4.09Å; L976-F980 HydrophobicContact CD1-CZ 3.9Å; L976-F980 HydrophobicContact CD2-CD2 4Å; L976-F980 HydrophobicContact CD2-CE2 3.62Å; L976-F980 HydrophobicContact CD2-CZ 4.09Å; L976-F980 HydrophobicContact CG-CD2 4.01Å; L976-F980 HydrophobicContact CG-CE2 3.75Å; L976-F980 HydrophobicContact CG-CZ 4.01Å; L976-F980 WeakPolarHBondContact O-CB 3.42Å; L976-F980 WeakPolarHBondContact O-CD2 3.35Å; L976-F980 VanDerWaalsContact O-CG 3.27Å; L976-F980 WeakPolarHBondContact O-CG 3.38Å; L976-F980 PolarHBondContact O-N 3.05Å; L976-L1069 HydrophobicContact CD2-CD1 3.99Å |
| 977 | I | 86.5 | Confident | 83 | Confident | 4.25 Ų | 4.25 | 22.1 Ų | 22.1 | 2% | 0.022 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66 | -45.1 | 175.7 | -74.9 | 170.2 | 0 | 0 | 0 | 111.5 | L973 Y974 T975 L979 F980 H981 L1091 R1094 L1095 L1098 | L973-I977 HydrophobicContact CD1-CD1 4.02Å; L973-I977 HydrophobicContact CD1-CG1 4.06Å; L973-I977 HydrophobicContact CG-CD1 3.89Å; L973-I977 HydrophobicContact CG-CG1 4.39Å; L973-I977 VanDerWaalsContact O-CB 3.28Å; L973-I977 WeakPolarHBondContact O-CB 3.36Å; L973-I977 VanDerWaalsContact O-CG1 3.27Å; L973-I977 WeakPolarHBondContact O-CG1 3.41Å; L973-I977 PolarHBondContact O-N 3.24Å; Y974-I977 PolarHBondContact O-N 3.08Å; T975-I977 VanDerWaalsContact C-N 3.32Å; T975-I977 PolarHBondContact O-N 3.36Å; I977-L979 PolarHBondContact O-N 3.5Å; I977-F980 PolarHBondContact O-N 3.04Å; I977-H981 VanDerWaalsContact O-CB 3.3Å; I977-H981 WeakPolarHBondContact O-CB 3.31Å; I977-H981 PolarHBondContact O-CD2 2.87Å; I977-H981 PolarHBondContact O-N 3.29Å; I977-L1091 HydrophobicContact CD1-CD2 4.17Å; I977-R1094 HydrophobicContact CD1-CB 4.3Å; I977-R1094 HydrophobicContact CG2-CB 4.27Å; I977-L1095 HydrophobicContact CD1-CB 4.41Å; I977-L1095 HydrophobicContact CD1-CD1 4.36Å; I977-L1095 HydrophobicContact CG1-CD1 4.35Å; I977-L1098 HydrophobicContact CB-CD1 4.42Å; I977-L1098 HydrophobicContact CB-CD2 4.46Å; I977-L1098 HydrophobicContact CG1-CD2 4.2Å; I977-L1098 HydrophobicContact CG2-CD1 4.16Å; I977-L1098 HydrophobicContact CG2-CD2 4.33Å; I977-L1098 VanDerWaalsContact O-CD1 3.23Å; I977-L1098 WeakPolarHBondContact O-CD1 3.41Å |
| 978 | E | 83.6 | Confident | 82.3 | Confident | 35.25 Ų | 35.25 | 21.2 Ų | 21.2 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.4 | -60.2 | -58.8 | 152.7 | 0 | 0 | 111.3 | V898 Y974 T975 H981 A982 R1094 I1205 R1212 L1217 | V898-E978 HydrophobicContact CG1-CB 4.25Å; V898-E978 HydrophobicContact CG2-CB 4.41Å; Y974-E978 WeakPolarHBondContact O-CG 3.41Å; Y974-E978 PolarHBondContact O-N 3.02Å; T975-E978 PolarHBondContact O-N 3.21Å; E978-H981 PolarHBondContact O-N 3.07Å; E978-A982 WeakPolarHBondContact O-CB 3.47Å; E978-A982 PolarHBondContact O-N 3.24Å; E978-R1094 IonicContact OE1-CZ 2.61Å; E978-R1094 IonicContact OE1-NH1 3.27Å; E978-R1094 PolarHBondContact OE1-NH1 3.09Å; E978-R1094 IonicContact OE1-NH2 3.16Å; E978-R1094 PolarHBondContact OE1-NH2 2.99Å; E978-I1205 HydrophobicContact CG-CD1 4.19Å; E978-I1205 WeakPolarHBondContact OE1-CG1 3.4Å; E978-I1205 WeakPolarHBondContact OE1-CG2 3.4Å; E978-R1212 IonicContact OE1-CZ 3.62Å; E978-R1212 IonicContact OE1-NH1 3.8Å; E978-R1212 PolarHBondContact OE1-NH1 2.87Å; E978-R1212 IonicContact OE1-NH2 3.41Å; E978-R1212 PolarHBondContact OE1-NH2 3.41Å; E978-L1217 HydrophobicContact CG-CD1 4.33Å |
| 979 | L | 85.2 | Confident | 81.5 | Confident | 0.5 Ų | 0.5 | 22.3 Ų | 22.3 | 0% | 0.003 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.2 | -72.4 | 176.6 | 0 | 0 | 0 | 112.2 | I897 V898 S901 W952 L956 T975 L976 I977 A982 A983 V1050 L1051 | I897-L979 HydrophobicContact CG2-CD1 4.34Å; I897-L979 HydrophobicContact CG2-CD2 4.47Å; V898-L979 HydrophobicContact CG2-CD2 4.46Å; S901-L979 WeakPolarHBondContact OG-CD2 3.37Å; W952-L979 HydrophobicContact CH2-CD1 4.34Å; W952-L979 HydrophobicContact CZ3-CD1 4.1Å; L956-L979 HydrophobicContact CD1-CD1 4.37Å; T975-L979 HydrophobicContact CG2-CD1 4.18Å; T975-L979 WeakPolarHBondContact O-CB 3.38Å; T975-L979 VanDerWaalsContact O-CG 3.26Å; T975-L979 WeakPolarHBondContact O-CG 3.31Å; T975-L979 PolarHBondContact O-N 3.32Å; L976-L979 PolarHBondContact O-N 2.74Å; I977-L979 PolarHBondContact O-N 3.5Å; L979-A982 PolarHBondContact O-N 3.16Å; L979-A983 VanDerWaalsContact O-CB 3.29Å; L979-A983 WeakPolarHBondContact O-CB 3.33Å; L979-A983 PolarHBondContact O-N 3.11Å; L979-A983 VanDerWaalsContact O-N 3.07Å; L979-V1050 HydrophobicContact CD1-CG1 4.24Å; L979-V1050 HydrophobicContact CD2-CB 3.89Å; L979-V1050 HydrophobicContact CD2-CG1 4.07Å; L979-V1050 HydrophobicContact CD2-CG2 3.75Å; L979-V1050 WeakPolarHBondContact O-CG1 3.29Å; L979-L1051 HydrophobicContact CB-CD1 4.22Å |
| 980 | F | 84.8 | Confident | 79.8 | Confident | 1.25 Ų | 1.25 | 26.8 Ų | 26.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 173.4 | -73.4 | -25.5 | 0 | 0 | 0 | 111.9 | L976 I977 A982 A983 V984 L1051 L1059 L1065 F1066 L1098 | L976-F980 HydrophobicContact CD1-CE1 4.15Å; L976-F980 HydrophobicContact CD1-CE2 4.09Å; L976-F980 HydrophobicContact CD1-CZ 3.9Å; L976-F980 HydrophobicContact CD2-CD2 4Å; L976-F980 HydrophobicContact CD2-CE2 3.62Å; L976-F980 HydrophobicContact CD2-CZ 4.09Å; L976-F980 HydrophobicContact CG-CD2 4.01Å; L976-F980 HydrophobicContact CG-CE2 3.75Å; L976-F980 HydrophobicContact CG-CZ 4.01Å; L976-F980 WeakPolarHBondContact O-CB 3.42Å; L976-F980 WeakPolarHBondContact O-CD2 3.35Å; L976-F980 VanDerWaalsContact O-CG 3.27Å; L976-F980 WeakPolarHBondContact O-CG 3.38Å; L976-F980 PolarHBondContact O-N 3.05Å; I977-F980 PolarHBondContact O-N 3.04Å; F980-A982 PolarHBondContact O-N 3.31Å; F980-A983 PolarHBondContact O-N 3.09Å; F980-V984 VanDerWaalsContact O-CB 3.3Å; F980-V984 WeakPolarHBondContact O-CB 3.37Å; F980-V984 VanDerWaalsContact O-CG2 3.26Å; F980-V984 WeakPolarHBondContact O-CG2 3.28Å; F980-V984 PolarHBondContact O-N 3.22Å; F980-L1051 HydrophobicContact CD1-CD1 3.56Å; F980-L1051 HydrophobicContact CE1-CD1 3.75Å; F980-L1059 HydrophobicContact CE1-CD1 3.87Å; F980-L1059 HydrophobicContact CZ-CD1 4.07Å; F980-L1065 HydrophobicContact CE2-CD2 3.97Å; F980-L1065 HydrophobicContact CZ-CD2 3.69Å; F980-F1066 HydrophobicContact CD2-CE1 4.23Å; F980-F1066 AromaticContact CD2-CZ 3.8Å; F980-F1066 HydrophobicContact CD2-CZ 3.92Å; F980-F1066 HydrophobicContact CE2-CE1 4.22Å; F980-F1066 HydrophobicContact CE2-CE2 4.34Å; F980-F1066 AromaticContact CE2-CZ 3.76Å; F980-F1066 HydrophobicContact CE2-CZ 3.76Å; F980-F1066 HydrophobicContact CZ-CZ 4.41Å; F980-L1098 HydrophobicContact CB-CD1 3.87Å; F980-L1098 HydrophobicContact CB-CD2 3.78Å; F980-L1098 HydrophobicContact CB-CG 4.41Å; F980-L1098 HydrophobicContact CD2-CD2 3.99Å; F980-L1098 HydrophobicContact CG-CD2 4.34Å |
| 981 | H | 79.9 | Confident | 78 | Confident | 73 Ų | 73 | 29.3 Ų | 29.3 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 178.8 | -153.8 | -63.8 | 0 | 0 | 0 | 111.3 | I977 E978 A983 S985 L1098 L1235 | I977-H981 VanDerWaalsContact O-CB 3.3Å; I977-H981 WeakPolarHBondContact O-CB 3.31Å; I977-H981 PolarHBondContact O-CD2 2.87Å; I977-H981 PolarHBondContact O-N 3.29Å; E978-H981 PolarHBondContact O-N 3.07Å; H981-A983 VanDerWaalsContact C-N 3.3Å; H981-A983 PolarHBondContact O-N 3.19Å; H981-S985 VanDerWaalsContact O-CB 3.24Å; H981-S985 WeakPolarHBondContact O-CB 3.3Å; H981-S985 PolarHBondContact O-N 3.1Å; H981-L1098 HydrophobicContact CB-CD1 4.08Å; H981-L1235 VanDerWaalsContact CE1-CD1 3.48Å; H981-L1235 WeakPolarHBondContact CE1-CD1 3.5Å |
| 982 | A | 78.4 | Confident | 75.8 | Confident | 26.25 Ų | 26.25 | 35.9 Ų | 35.9 | 22% | 0.217 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E978 L979 F980 V984 S985 I986 V1050 | E978-A982 WeakPolarHBondContact O-CB 3.47Å; E978-A982 PolarHBondContact O-N 3.24Å; L979-A982 PolarHBondContact O-N 3.16Å; F980-A982 PolarHBondContact O-N 3.31Å; A982-V984 PolarHBondContact O-N 3.13Å; A982-S985 WeakPolarHBondContact O-CB 3.41Å; A982-S985 PolarHBondContact O-N 3.17Å; A982-I986 WeakPolarHBondContact O-CD1 3.4Å; A982-I986 WeakPolarHBondContact O-CG1 3.44Å; A982-I986 PolarHBondContact O-N 3.24Å; A982-V1050 HydrophobicContact CB-CG1 3.9Å; A982-V1050 HydrophobicContact CB-CG2 4.2Å |
| 983 | A | 79.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.4 | -41.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L979 F980 H981 S985 I986 H987 P1049 V1050 L1051 I1056 | L979-A983 VanDerWaalsContact O-CB 3.29Å; L979-A983 WeakPolarHBondContact O-CB 3.33Å; L979-A983 PolarHBondContact O-N 3.11Å; L979-A983 VanDerWaalsContact O-N 3.07Å; F980-A983 PolarHBondContact O-N 3.09Å; H981-A983 VanDerWaalsContact C-N 3.3Å; H981-A983 PolarHBondContact O-N 3.19Å; A983-S985 VanDerWaalsContact C-N 3.32Å; A983-S985 PolarHBondContact O-N 3Å; A983-I986 PolarHBondContact O-N 3.13Å; A983-I986 VanDerWaalsContact O-N 3.14Å; A983-H987 PolarHBondContact O-N 3.03Å; A983-H987 PolarHBondContact O-ND1 3.15Å; A983-P1049 HydrophobicContact CB-CB 3.79Å; A983-P1049 HydrophobicContact CB-CG 4.27Å; A983-V1050 HydrophobicContact CB-CB 3.99Å; A983-V1050 HydrophobicContact CB-CG1 3.59Å; A983-V1050 VanDerWaalsContact CB-CG1 3.48Å; A983-L1051 HydrophobicContact CB-CB 4.12Å; A983-L1051 HydrophobicContact CB-CD1 4.5Å; A983-I1056 HydrophobicContact CB-CD1 3.41Å; A983-I1056 VanDerWaalsContact CB-CD1 3.43Å; A983-I1056 HydrophobicContact CB-CG1 4.12Å |
| 984 | V | 77.1 | Confident | 70.6 | Confident | 29.5 Ų | 29.5 | 44.6 Ų | 44.6 | 18% | 0.179 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.9 | -33.8 | 175 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | F980 A982 I986 G988 W989 I1056 L1098 | F980-V984 VanDerWaalsContact O-CB 3.3Å; F980-V984 WeakPolarHBondContact O-CB 3.37Å; F980-V984 VanDerWaalsContact O-CG2 3.26Å; F980-V984 WeakPolarHBondContact O-CG2 3.28Å; F980-V984 PolarHBondContact O-N 3.22Å; A982-V984 PolarHBondContact O-N 3.13Å; V984-I986 PolarHBondContact O-N 2.98Å; V984-I986 VanDerWaalsContact O-N 3.14Å; V984-G988 VanDerWaalsContact O-CA 3.27Å; V984-G988 WeakPolarHBondContact O-CA 3.25Å; V984-G988 PolarHBondContact O-N 3.13Å; V984-W989 HydrophobicContact CG1-CG 4.43Å; V984-W989 HydrophobicContact CG2-CD2 3.96Å; V984-W989 VanDerWaalsContact CG2-CE2 3.45Å; V984-W989 HydrophobicContact CG2-CE3 4.38Å; V984-W989 HydrophobicContact CG2-CH2 3.95Å; V984-W989 HydrophobicContact CG2-CZ2 3.5Å; V984-W989 VanDerWaalsContact CG2-CZ2 3.44Å; V984-W989 HydrophobicContact CG2-CZ3 4.36Å; V984-I1056 HydrophobicContact CG2-CG2 4.37Å; V984-L1098 HydrophobicContact CG2-CD2 4.07Å |
| 985 | S | 72.7 | Confident | 68 | Low | 76.5 Ų | 76.5 | 52.6 Ų | 52.6 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -17.1 | 173.8 | -171.6 | 0 | 0 | 0 | 0 | 113.6 | H981 A982 A983 R1212 | H981-S985 VanDerWaalsContact O-CB 3.24Å; H981-S985 WeakPolarHBondContact O-CB 3.3Å; H981-S985 PolarHBondContact O-N 3.1Å; A982-S985 WeakPolarHBondContact O-CB 3.41Å; A982-S985 PolarHBondContact O-N 3.17Å; A983-S985 VanDerWaalsContact C-N 3.32Å; A983-S985 PolarHBondContact O-N 3Å; S985-R1212 PolarHBondContact O-NE 3.29Å; S985-R1212 PolarHBondContact O-NH2 3.18Å; S985-R1212 PolarHBondContact OG-NE 2.71Å |
| 986 | I | 69.6 | Low | 65.4 | Low | 54.75 Ų | 54.75 | 60 Ų | 60 | 28% | 0.281 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -105.1 | -47.9 | -179.2 | -68.7 | 160.4 | 0 | 0 | 0 | 111.6 | A982 A983 V984 L1046 V1047 F1048 P1049 V1050 | A982-I986 WeakPolarHBondContact O-CD1 3.4Å; A982-I986 WeakPolarHBondContact O-CG1 3.44Å; A982-I986 PolarHBondContact O-N 3.24Å; A983-I986 PolarHBondContact O-N 3.13Å; A983-I986 VanDerWaalsContact O-N 3.14Å; V984-I986 PolarHBondContact O-N 2.98Å; V984-I986 VanDerWaalsContact O-N 3.14Å; I986-L1046 HydrophobicContact CG2-CD2 3.4Å; I986-V1047 HydrophobicContact CD1-CB 4.22Å; I986-V1047 HydrophobicContact CD1-CG1 4.22Å; I986-V1047 VanDerWaalsContact CD1-O 3.24Å; I986-V1047 WeakPolarHBondContact CD1-O 3.43Å; I986-V1047 HydrophobicContact CG1-CB 4.27Å; I986-V1047 WeakPolarHBondContact CG2-O 3.08Å; I986-F1048 HydrophobicContact CD1-CB 3.87Å; I986-F1048 HydrophobicContact CD1-CD2 3.61Å; I986-F1048 HydrophobicContact CD1-CE2 4.43Å; I986-F1048 HydrophobicContact CD1-CG 3.95Å; I986-F1048 HydrophobicContact CG1-CD2 4.33Å; I986-P1049 HydrophobicContact CB-CG 4.24Å; I986-P1049 HydrophobicContact CD1-CB 3.78Å; I986-P1049 HydrophobicContact CD1-CG 4.13Å; I986-P1049 HydrophobicContact CG2-CG 4.07Å; I986-V1050 HydrophobicContact CD1-CB 4.3Å; I986-V1050 HydrophobicContact CD1-CG1 4.46Å; I986-V1050 HydrophobicContact CD1-CG2 3.92Å |
| 987 | H | 71.1 | Confident | 62.5 | Low | 56.75 Ų | 56.75 | 65.3 Ų | 65.3 | 26% | 0.263 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -97.8 | -21 | -173.7 | -59.3 | 111.5 | 0 | 0 | 0 | 114.2 | A983 P1049 L1051 G1053 I1056 | A983-H987 PolarHBondContact O-N 3.03Å; A983-H987 PolarHBondContact O-ND1 3.15Å; H987-P1049 WeakPolarHBondContact CE1-CG 3.24Å; H987-L1051 PolarHBondContact CE1-O 3.24Å; H987-L1051 VanDerWaalsContact CE1-O 3.23Å; H987-G1053 PolarHBondContact CD2-N 3.35Å; H987-G1053 PolarHBondContact CE1-N 3.26Å; H987-G1053 VanDerWaalsContact CE1-N 3.28Å; H987-G1053 PolarHBondContact NE2-N 3.16Å; H987-I1056 HydrophobicContact CB-CD1 4.12Å; H987-I1056 VanDerWaalsContact ND1-CD1 3.27Å; H987-I1056 WeakPolarHBondContact ND1-CD1 3.38Å |
| 988 | G | 70.3 | Confident | 59.6 | Low | 27 Ų | 27 | 72.3 Ų | 72.3 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | trans | 65.7 | -172.5 | -160 | 0 | 0 | 0 | 0 | 0 | 112.7 | V984 | V984-G988 VanDerWaalsContact O-CA 3.27Å; V984-G988 WeakPolarHBondContact O-CA 3.25Å; V984-G988 PolarHBondContact O-N 3.13Å | ||
| 989 | W | 67.8 | Low | 56.9 | Low | 40 Ų | 40 | 77.6 Ų | 77.6 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -92.2 | -8.9 | 174.1 | -77.1 | 117.3 | 0 | 0 | 0 | 113.6 | V984 I1056 F1066 L1098 P1100 | V984-W989 HydrophobicContact CG1-CG 4.43Å; V984-W989 HydrophobicContact CG2-CD2 3.96Å; V984-W989 VanDerWaalsContact CG2-CE2 3.45Å; V984-W989 HydrophobicContact CG2-CE3 4.38Å; V984-W989 HydrophobicContact CG2-CH2 3.95Å; V984-W989 HydrophobicContact CG2-CZ2 3.5Å; V984-W989 VanDerWaalsContact CG2-CZ2 3.44Å; V984-W989 HydrophobicContact CG2-CZ3 4.36Å; W989-I1056 HydrophobicContact CD2-CG2 4.41Å; W989-I1056 HydrophobicContact CE3-CG2 3.48Å; W989-I1056 VanDerWaalsContact CE3-CG2 3.46Å; W989-I1056 HydrophobicContact CH2-CG2 4.21Å; W989-I1056 HydrophobicContact CZ3-CB 4.47Å; W989-I1056 HydrophobicContact CZ3-CG2 3.36Å; W989-F1066 HydrophobicContact CH2-CE1 4.49Å; W989-F1066 AromaticContact CH2-CE2 3.71Å; W989-F1066 HydrophobicContact CH2-CE2 3.71Å; W989-F1066 AromaticContact CH2-CZ 3.51Å; W989-F1066 HydrophobicContact CH2-CZ 3.51Å; W989-F1066 VanDerWaalsContact CH2-CZ 3.44Å; W989-F1066 HydrophobicContact CZ2-CE2 4.29Å; W989-F1066 AromaticContact CZ2-CZ 3.9Å; W989-F1066 HydrophobicContact CZ2-CZ 3.95Å; W989-F1066 HydrophobicContact CZ3-CE2 4.29Å; W989-F1066 HydrophobicContact CZ3-CZ 4.44Å; W989-L1098 HydrophobicContact CH2-CD2 4.43Å; W989-L1098 HydrophobicContact CZ2-CD2 3.89Å; W989-L1098 VanDerWaalsContact CZ2-O 3.3Å; W989-L1098 WeakPolarHBondContact CZ2-O 3.26Å; W989-L1098 PolarHBondContact NE1-O 3.07Å; W989-L1098 VanDerWaalsContact NE1-O 3.15Å; W989-P1100 HydrophobicContact CB-CB 4.24Å; W989-P1100 HydrophobicContact CD2-CB 3.79Å; W989-P1100 HydrophobicContact CD2-CG 4.39Å; W989-P1100 HydrophobicContact CE3-CB 4.17Å; W989-P1100 HydrophobicContact CG-CB 3.96Å; W989-P1100 HydrophobicContact CZ2-CB 4.45Å |
| 990 | S | 54.5 | Low | 54.5 | Low | 100.75 Ų | 100.75 | 84.9 Ų | 84.9 | 71% | 0.705 | 45% | 0.452 | S | S | * | . | trans | -123.4 | 61 | -164.4 | 59 | 0 | 0 | 0 | 0 | 113.4 | E992 | S990-E992 PolarHBondContact O-N 3.22Š| ||
| 991 | T | 50.3 | Low | 51.8 | Low | 55.25 Ų | 55.25 | 92.1 Ų | 92.1 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | trans | -80 | 114.1 | 154.4 | 48.2 | 0 | 0 | 0 | 0 | 108 | F993 G1053 S1057 | T991-F993 PolarHBondContact O-N 3Å; T991-G1053 PolarHBondContact OG1-O 3.27Å; T991-S1057 PolarHBondContact O-OG 2.91Å; T991-S1057 PolarHBondContact OG1-OG 3.23Å | ||
| 992 | E | 39 | Very low | 49.4 | Very low | 155.25 Ų | 155.25 | 94.5 Ų | 94.5 | 73% | 0.725 | 51% | 0.511 | S | S | * | . | trans | -70.5 | 127.5 | -175.3 | -64.9 | -168.6 | 154.3 | 0 | 0 | 112 | S990 T994 | S990-E992 PolarHBondContact O-N 3.22Å; E992-T994 VanDerWaalsContact C-N 3.34Å; E992-T994 HydrophobicContact CB-CG2 4.06Å; E992-T994 VanDerWaalsContact CB-OG1 3.27Å; E992-T994 WeakPolarHBondContact CB-OG1 3.27Å; E992-T994 PolarHBondContact O-N 3.19Å; E992-T994 VanDerWaalsContact O-N 3.1Å; E992-T994 WeakPolarHBondContact OE2-CG2 3.21Å; E992-T994 PolarHBondContact OE2-OG1 2.93Å | ||
| 993 | F | 39.9 | Very low | 46.9 | Very low | 79.5 Ų | 79.5 | 99.8 Ų | 99.8 | 35% | 0.349 | 54% | 0.541 | S | S | . | . | trans | -77 | 51.1 | 175 | -113.6 | -82.9 | 0 | 0 | 0 | 111.7 | L938 F947 T991 Y995 Y996 E1054 S1057 | L938-F993 HydrophobicContact CD2-CZ 4.47Å; F947-F993 HydrophobicContact CZ-CE1 4.05Å; F947-F993 HydrophobicContact CZ-CZ 4.32Å; T991-F993 PolarHBondContact O-N 3Å; F993-Y995 VanDerWaalsContact C-N 3.27Å; F993-Y995 HydrophobicContact CD1-CD2 4.34Å; F993-Y995 HydrophobicContact CD1-CE2 4.39Å; F993-Y995 PolarHBondContact O-N 3.22Å; F993-Y995 VanDerWaalsContact O-N 3.1Å; F993-Y996 HydrophobicContact CD1-CD2 4.19Å; F993-Y996 HydrophobicContact CE1-CD2 4.37Å; F993-E1054 HydrophobicContact CE1-CG 4.49Å; F993-E1054 HydrophobicContact CZ-CB 4.09Å; F993-E1054 HydrophobicContact CZ-CG 4.18Å; F993-S1057 WeakPolarHBondContact CD2-OG 3.36Å | ||
| 994 | T | 31.6 | Very low | 44.6 | Very low | 103.5 Ų | 103.5 | 105.9 Ų | 105.9 | 64% | 0.635 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 45.4 | -170 | 41.8 | 0 | 0 | 0 | 0 | 114.4 | E992 Y996 | E992-T994 VanDerWaalsContact C-N 3.34Å; E992-T994 HydrophobicContact CB-CG2 4.06Å; E992-T994 VanDerWaalsContact CB-OG1 3.27Å; E992-T994 WeakPolarHBondContact CB-OG1 3.27Å; E992-T994 PolarHBondContact O-N 3.19Å; E992-T994 VanDerWaalsContact O-N 3.1Å; E992-T994 WeakPolarHBondContact OE2-CG2 3.21Å; E992-T994 PolarHBondContact OE2-OG1 2.93Å; T994-Y996 PolarHBondContact O-N 2.93Å; T994-Y996 VanDerWaalsContact O-N 3.12Å |
| 995 | Y | 31.6 | Very low | 42.3 | Very low | 178.5 Ų | 178.5 | 110.3 Ų | 110.3 | 70% | 0.7 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 58.9 | 173 | -95.6 | -89.6 | 0 | 0 | 0 | 113.3 | R940 F993 S997 | R940-Y995 PolarHBondContact NH1-OH 3.16Å; F993-Y995 VanDerWaalsContact C-N 3.27Å; F993-Y995 HydrophobicContact CD1-CD2 4.34Å; F993-Y995 HydrophobicContact CD1-CE2 4.39Å; F993-Y995 PolarHBondContact O-N 3.22Å; F993-Y995 VanDerWaalsContact O-N 3.1Å; Y995-S997 PolarHBondContact O-N 2.99Å |
| 996 | Y | 31.9 | Very low | 40.3 | Very low | 162.75 Ų | 162.75 | 112.4 Ų | 112.4 | 64% | 0.638 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -106.4 | 81 | 178.8 | -70.1 | -75.3 | 0 | 0 | 0 | 112.7 | M916 S917 P918 F993 T994 N998 | M916-Y996 PolarHBondContact O-OH 3.26Å; S917-Y996 WeakPolarHBondContact CA-OH 3.35Å; P918-Y996 WeakPolarHBondContact CD-OH 3.27Å; P918-Y996 HydrophobicContact CG-CE1 4.18Å; F993-Y996 HydrophobicContact CD1-CD2 4.19Å; F993-Y996 HydrophobicContact CE1-CD2 4.37Å; T994-Y996 PolarHBondContact O-N 2.93Å; T994-Y996 VanDerWaalsContact O-N 3.12Å; Y996-N998 PolarHBondContact O-N 3.18Å; Y996-N998 VanDerWaalsContact O-N 3.07Å |
| 997 | S | 27.2 | Very low | 38.4 | Very low | 111 Ų | 111 | 115.8 Ų | 115.8 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | trans | -111.3 | 69.8 | 170.1 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | Y995 D999 | Y995-S997 PolarHBondContact O-N 2.99Å; S997-D999 PolarHBondContact O-N 3.39Å | ||
| 998 | N | 25.1 | Very low | 36.5 | Very low | 151.5 Ų | 151.5 | 118.7 Ų | 118.7 | 81% | 0.81 | 66% | 0.66 | S | S | * | * | trans | -128.1 | 107.9 | 161.8 | -83.9 | -20.9 | 0 | 0 | 0 | 109 | Y996 | Y996-N998 PolarHBondContact O-N 3.18Å; Y996-N998 VanDerWaalsContact O-N 3.07Å | ||
| 999 | D | 27.8 | Very low | 34.8 | Very low | 145.5 Ų | 145.5 | 122.5 Ų | 122.5 | 78% | 0.778 | 68% | 0.678 | S | S | * | * | trans | 165 | 89.8 | 157.1 | -84.1 | -28.2 | 0 | 0 | 0 | 112.8 | R919 S997 | R919-D999 IonicContact CZ-OD2 3.95Å; R919-D999 IonicContact NH1-OD2 2.75Å; R919-D999 IonicContact NH2-OD2 3.8Å; R919-D999 PolarHBondContact NH2-OD2 3.24Å; S997-D999 PolarHBondContact O-N 3.39Å | ||
| 1000 | I | 33.4 | Very low | 33.1 | Very low | 153.5 Ų | 153.5 | 126.7 Ų | 126.7 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | trans | -162.7 | 110.3 | 154 | -68.3 | 166.6 | 0 | 0 | 0 | 110.6 | T1002 | I1000-T1002 HydrophobicContact CG2-CG2 4.41Å; I1000-T1002 PolarHBondContact O-N 3.26Å | ||
| 1001 | N | 29.1 | Very low | 32.2 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | trans | -52.5 | 91.1 | 166.8 | -68.4 | -31.1 | 0 | 0 | 0 | 115.3 | ||||
| 1002 | T | 28.5 | Very low | 31.4 | Very low | 123.2 Ų | 123.2 | 131 Ų | 131 | 76% | 0.756 | 72% | 0.716 | S | S | * | * | trans | -110 | 107.7 | 153.5 | 42.4 | 0 | 0 | 0 | 0 | 113.5 | I1000 T1004 | I1000-T1002 HydrophobicContact CG2-CG2 4.41Å; I1000-T1002 PolarHBondContact O-N 3.26Å; T1002-T1004 PolarHBondContact O-N 2.99Å | ||
| 1003 | T | 27.7 | Very low | 31 | Very low | 137.2 Ų | 137.2 | 130.6 Ų | 130.6 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | trans | -119.3 | 124 | 150.2 | 33.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1004 | T | 29.9 | Very low | 30.7 | Very low | 128.6 Ų | 128.6 | 132.2 Ų | 132.2 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | trans | -126.2 | 112.9 | 164 | 38.9 | 0 | 0 | 0 | 0 | 113.1 | T1002 | T1002-T1004 PolarHBondContact O-N 2.99Š| ||
| 1005 | T | 28.6 | Very low | 30.5 | Very low | 122.2 Ų | 122.2 | 132.5 Ų | 132.5 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | trans | -76.4 | 117.2 | 155.4 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1006 | T | 30.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | 159.2 | 125.9 | 79.9 | 41 | 0 | 0 | 0 | 0 | 113.3 | T1009 | T1006-T1009 PolarHBondContact O-OG1 3.47Š| |||
| 1007 | T | 30.4 | Very low | 30.4 | Very low | 125.8 Ų | 125.8 | 132.3 Ų | 132.3 | 77% | 0.772 | 76% | 0.758 | S | S | * | * | trans | 39.4 | 131.6 | 155.4 | 51.2 | 0 | 0 | 0 | 0 | 116 | T1009 | T1007-T1009 PolarHBondContact O-N 3.22Š| ||
| 1008 | T | 31.3 | Very low | 30.6 | Very low | 117.4 Ų | 117.4 | 133.8 Ų | 133.8 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | 173.3 | 134.8 | 37.7 | 26.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1009 | T | 33.9 | Very low | 30.9 | Very low | 108 Ų | 108 | 134 Ų | 134 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | 46.4 | 121.8 | 111.6 | 46 | 0 | 0 | 0 | 0 | 113.2 | T1006 T1007 | T1006-T1009 PolarHBondContact O-OG1 3.47Å; T1007-T1009 PolarHBondContact O-N 3.22Å | |||
| 1010 | D | 33.9 | Very low | 31.1 | Very low | 128.2 Ų | 128.2 | 133 Ų | 133 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | 161.8 | 142.6 | 59.4 | -90.9 | -22.9 | 0 | 0 | 0 | 115.4 | |||||
| 1011 | N | 34.1 | Very low | 31.1 | Very low | 119.6 Ų | 119.6 | 128.8 Ų | 128.8 | 64% | 0.64 | 75% | 0.748 | S | S | * | * | 35.9 | 144.3 | 107.5 | -89.6 | -42.8 | 0 | 0 | 0 | 117.2 | N1013 | N1011-N1013 PolarHBondContact OD1-ND2 2.88Š| |||
| 1012 | N | 33.5 | Very low | 31.3 | Very low | 125.6 Ų | 125.6 | 127.6 Ų | 127.6 | 67% | 0.672 | 74% | 0.741 | S | S | * | * | -158.5 | 129.7 | 111.4 | -80.3 | -54.4 | 0 | 0 | 0 | 115.8 | S1014 | N1012-S1014 WeakPolarHBondContact CA-OG 3.32Å; N1012-S1014 WeakPolarHBondContact CB-OG 3.37Å; N1012-S1014 PolarHBondContact O-OG 3.47Å | |||
| 1013 | N | 31.8 | Very low | 31.7 | Very low | 146.2 Ų | 146.2 | 127.7 Ų | 127.7 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | 48.3 | 132.1 | 128.5 | -51.8 | -27.3 | 0 | 0 | 0 | 117.4 | N1011 S1015 | N1011-N1013 PolarHBondContact OD1-ND2 2.88Å; N1013-S1015 PolarHBondContact O-N 3.46Å; N1013-S1015 VanDerWaalsContact O-N 3.09Å | |||
| 1014 | S | 33.4 | Very low | 32 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | -169.4 | 162.5 | 108.9 | 42.8 | 0 | 0 | 0 | 0 | 111.6 | N1012 E1016 | N1012-S1014 WeakPolarHBondContact CA-OG 3.32Å; N1012-S1014 WeakPolarHBondContact CB-OG 3.37Å; N1012-S1014 PolarHBondContact O-OG 3.47Å; S1014-E1016 VanDerWaalsContact C-N 3.33Å; S1014-E1016 PolarHBondContact O-N 3.45Å | |||
| 1015 | S | 27.9 | Very low | 32.2 | Very low | 109.4 Ų | 109.4 | 127.6 Ų | 127.6 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | trans | -102.7 | 124.6 | -160.4 | 42 | 0 | 0 | 0 | 0 | 110.9 | N1013 | N1013-S1015 PolarHBondContact O-N 3.46Å; N1013-S1015 VanDerWaalsContact O-N 3.09Å | ||
| 1016 | E | 30.5 | Very low | 32.5 | Very low | 166.2 Ų | 166.2 | 128.2 Ų | 128.2 | 78% | 0.777 | 72% | 0.72 | S | S | * | * | trans | -145.4 | 127.6 | 144.5 | -108 | 169.6 | -154.7 | 0 | 0 | 109.8 | S1014 I1018 H1272 | S1014-E1016 VanDerWaalsContact C-N 3.33Å; S1014-E1016 PolarHBondContact O-N 3.45Å; E1016-I1018 HydrophobicContact CB-CD1 3.86Å; E1016-I1018 HydrophobicContact CB-CG1 4.14Å; E1016-I1018 HydrophobicContact CG-CD1 3.9Å; E1016-I1018 HydrophobicContact CG-CG1 4.17Å; E1016-H1272 IonicContact OE1-CD2 3.82Å; E1016-H1272 IonicContact OE1-NE2 2.85Å; E1016-H1272 PolarHBondContact OE1-NE2 2.85Å; E1016-H1272 IonicContact OE2-CD2 2.74Å; E1016-H1272 IonicContact OE2-CE1 3.95Å; E1016-H1272 IonicContact OE2-NE2 2.78Å; E1016-H1272 PolarHBondContact OE2-NE2 2.9Å | ||
| 1017 | Q | 30.1 | Very low | 32.6 | Very low | 172.2 Ų | 172.2 | 125.4 Ų | 125.4 | 81% | 0.805 | 72% | 0.716 | S | S | * | * | trans | -97.9 | 139.6 | 136.3 | -69.5 | 165.4 | -18.7 | 0 | 0 | 111.2 | ||||
| 1018 | I | 30.7 | Very low | 32.8 | Very low | 142.4 Ų | 142.4 | 125.1 Ų | 125.1 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | 160.2 | 128 | 136 | -72.4 | 163.2 | 0 | 0 | 0 | 111.1 | E1016 P1020 | E1016-I1018 HydrophobicContact CB-CD1 3.86Å; E1016-I1018 HydrophobicContact CB-CG1 4.14Å; E1016-I1018 HydrophobicContact CG-CD1 3.9Å; E1016-I1018 HydrophobicContact CG-CG1 4.17Å; I1018-P1020 WeakPolarHBondContact O-CD 3.2Å; I1018-P1020 WeakPolarHBondContact O-CG 3.5Å | ||
| 1019 | H | 31.3 | Very low | 32.9 | Very low | 155.6 Ų | 155.6 | 126.7 Ų | 126.7 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | -42 | 174.9 | -178.8 | -61.2 | -97.2 | 0 | 0 | 0 | 116.1 | E1025 | H1019-E1025 IonicContact CE1-OE1 3.58Å; H1019-E1025 PolarHBondContact CE1-OE1 3.38Å; H1019-E1025 VanDerWaalsContact CE1-OE1 3.3Å; H1019-E1025 IonicContact CE1-OE2 2.81Å; H1019-E1025 IonicContact CG-OE1 2.79Å; H1019-E1025 WeakPolarHBondContact ND1-CG 3.44Å; H1019-E1025 IonicContact ND1-OE1 3.26Å; H1019-E1025 PolarHBondContact ND1-OE1 3.04Å; H1019-E1025 IonicContact ND1-OE2 2.64Å | ||
| 1020 | P | 33.4 | Very low | 32.9 | Very low | 123.4 Ų | 123.4 | 126.7 Ų | 126.7 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | trans | -84.2 | 148.3 | 162 | 25 | -22.7 | 0 | 0 | 0 | 112 | I1018 | I1018-P1020 WeakPolarHBondContact O-CD 3.2Å; I1018-P1020 WeakPolarHBondContact O-CG 3.5Å | ||
| 1021 | G | 32.1 | Very low | 32.9 | Very low | 65.4 Ų | 65.4 | 125.6 Ų | 125.6 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | trans | -126.1 | 136.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1024 | G1021-N1024 WeakPolarHBondContact CA-OD1 3.21Å; G1021-N1024 PolarHBondContact N-OD1 3.47Å | ||
| 1022 | N | 33.8 | Very low | 32.8 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | -110.9 | 139.2 | 140 | -110.9 | -10.6 | 0 | 0 | 0 | 110.1 | Q1132 S1135 S1136 D1137 I1140 | N1022-Q1132 PolarHBondContact O-NE2 3.26Å; N1022-S1135 WeakPolarHBondContact OD1-CA 3.44Å; N1022-S1136 PolarHBondContact ND2-OG 2.98Å; N1022-S1136 PolarHBondContact OD1-N 3.26Å; N1022-S1136 PolarHBondContact OD1-OG 2.98Å; N1022-D1137 WeakPolarHBondContact ND2-CB 3.44Å; N1022-D1137 PolarHBondContact ND2-N 3.49Å; N1022-I1140 HydrophobicContact CB-CD1 4.28Å | ||
| 1023 | N | 36.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | -168.8 | 137.9 | 127.7 | -81.4 | -21.9 | 0 | 0 | 0 | 112.7 | S1131 Q1132 S1135 | N1023-S1131 WeakPolarHBondContact CA-OG 3.35Å; N1023-S1131 VanDerWaalsContact CB-CA 3.45Å; N1023-S1131 VanDerWaalsContact CB-CB 3.5Å; N1023-S1131 WeakPolarHBondContact CB-O 3.26Å; N1023-S1131 WeakPolarHBondContact CB-OG 3.45Å; N1023-S1131 VanDerWaalsContact CG-C 3.45Å; N1023-S1131 PolarHBondContact ND2-O 3.29Å; N1023-S1131 WeakPolarHBondContact O-CB 3.28Å; N1023-S1131 PolarHBondContact O-OG 2.89Å; N1023-S1131 PolarHBondContact OD1-O 2.84Å; N1023-Q1132 WeakPolarHBondContact ND2-CA 3.47Å; N1023-S1135 WeakPolarHBondContact ND2-CA 3.33Å; N1023-S1135 WeakPolarHBondContact ND2-CB 3.41Å; N1023-S1135 PolarHBondContact ND2-OG 2.87Å; N1023-S1135 WeakPolarHBondContact OD1-CA 3.49Å; N1023-S1135 PolarHBondContact OD1-N 3.37Å | |||
| 1024 | N | 33.6 | Very low | 32.9 | Very low | 112.2 Ų | 112.2 | 124.6 Ų | 124.6 | 60% | 0.6 | 70% | 0.701 | S | S | * | * | trans | -117.6 | 128.5 | 151.7 | -73.8 | -26.4 | 0 | 0 | 0 | 112.1 | G1021 S1131 L1134 | G1021-N1024 WeakPolarHBondContact CA-OD1 3.21Å; G1021-N1024 PolarHBondContact N-OD1 3.47Å; N1024-S1131 WeakPolarHBondContact O-CA 3.4Å; N1024-S1131 WeakPolarHBondContact O-CB 3.48Å; N1024-S1131 PolarHBondContact O-N 2.99Å; N1024-L1134 HydrophobicContact CB-CB 4.26Å; N1024-L1134 PolarHBondContact ND2-O 3.29Å | ||
| 1025 | E | 35.7 | Very low | 32.9 | Very low | 150.8 Ų | 150.8 | 126.1 Ų | 126.1 | 71% | 0.705 | 70% | 0.7 | S | S | * | * | trans | 158.8 | 143.1 | 134.6 | -81.1 | 171 | -162.2 | 0 | 0 | 114.4 | H1019 G1027 | H1019-E1025 IonicContact CE1-OE1 3.58Å; H1019-E1025 PolarHBondContact CE1-OE1 3.38Å; H1019-E1025 VanDerWaalsContact CE1-OE1 3.3Å; H1019-E1025 IonicContact CE1-OE2 2.81Å; H1019-E1025 IonicContact CG-OE1 2.79Å; H1019-E1025 WeakPolarHBondContact ND1-CG 3.44Å; H1019-E1025 IonicContact ND1-OE1 3.26Å; H1019-E1025 PolarHBondContact ND1-OE1 3.04Å; H1019-E1025 IonicContact ND1-OE2 2.64Å; E1025-G1027 WeakPolarHBondContact O-CA 3.33Å; E1025-G1027 PolarHBondContact O-N 3.17Å | ||
| 1026 | N | 33.5 | Very low | 33.1 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | 73 | 113.2 | 150.1 | -59.8 | -45.9 | 0 | 0 | 0 | 116.6 | L1130 R1242 | N1026-L1130 WeakPolarHBondContact O-CD1 3.35Å; N1026-R1242 PolarHBondContact O-NH1 3.48Å | ||
| 1027 | G | 32.7 | Very low | 33.1 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | cis | 118.9 | 97.6 | 49.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1025 S1122 R1242 | E1025-G1027 WeakPolarHBondContact O-CA 3.33Å; E1025-G1027 PolarHBondContact O-N 3.17Å; G1027-S1122 WeakPolarHBondContact O-CB 3.37Å; G1027-S1122 PolarHBondContact O-OG 3.42Å; G1027-R1242 PolarHBondContact O-NH1 3.34Å | ||
| 1028 | D | 33.8 | Very low | 33.2 | Very low | 118.6 Ų | 118.6 | 128.5 Ų | 128.5 | 63% | 0.634 | 70% | 0.701 | S | S | * | * | trans | -99.2 | 136.2 | 152.3 | -115.9 | -8.4 | 0 | 0 | 0 | 116.6 | L1102 L1110 R1242 | D1028-L1102 VanDerWaalsContact N-CD2 3.29Å; D1028-L1110 HydrophobicContact CB-CD1 3.85Å; D1028-L1110 WeakPolarHBondContact OD2-CD1 3.27Å; D1028-R1242 PolarHBondContact O-NH1 3.44Å; D1028-R1242 PolarHBondContact O-NH2 3.5Å | ||
| 1029 | K | 34.6 | Very low | 33.2 | Very low | 151.6 Ų | 151.6 | 129.8 Ų | 129.8 | 66% | 0.659 | 70% | 0.704 | S | S | * | * | trans | 147.8 | 109.2 | 164.4 | -77.2 | 153.7 | -168.1 | 151.6 | 0 | 113.8 | V1031 V1106 Q1109 L1110 S1119 | K1029-V1031 PolarHBondContact O-N 3.39Å; K1029-V1106 HydrophobicContact CD-CG1 4.05Å; K1029-V1106 WeakPolarHBondContact CD-O 3.45Å; K1029-V1106 WeakPolarHBondContact CE-O 3.38Å; K1029-V1106 HydrophobicContact CG-CB 4.45Å; K1029-V1106 HydrophobicContact CG-CG1 3.74Å; K1029-V1106 WeakPolarHBondContact CG-O 3.37Å; K1029-Q1109 PolarHBondContact NZ-O 3.12Å; K1029-L1110 HydrophobicContact CD-CB 3.58Å; K1029-L1110 HydrophobicContact CD-CD1 4.16Å; K1029-L1110 HydrophobicContact CD-CG 3.67Å; K1029-S1119 WeakPolarHBondContact O-CB 3.28Å; K1029-S1119 PolarHBondContact O-OG 3.2Å; K1029-S1119 VanDerWaalsContact O-OG 3.1Å | ||
| 1030 | V | 32.9 | Very low | 33.2 | Very low | 106.4 Ų | 106.4 | 128 Ų | 128 | 65% | 0.645 | 70% | 0.704 | S | S | * | * | 54.6 | 117.2 | 102.9 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | P1032 L1102 P1103 K1104 V1106 A1107 S1119 | V1030-P1032 HydrophobicContact CG1-CG 4.47Å; V1030-L1102 WeakPolarHBondContact CA-O 3.33Å; V1030-L1102 WeakPolarHBondContact CB-O 3.2Å; V1030-L1102 WeakPolarHBondContact CG1-O 3.35Å; V1030-L1102 VanDerWaalsContact CG2-C 3.47Å; V1030-L1102 HydrophobicContact CG2-CB 3.63Å; V1030-L1102 HydrophobicContact CG2-CD2 3.74Å; V1030-L1102 HydrophobicContact CG2-CG 3.81Å; V1030-L1102 WeakPolarHBondContact CG2-O 3.4Å; V1030-P1103 WeakPolarHBondContact CG1-O 3.15Å; V1030-K1104 WeakPolarHBondContact CG1-O 3.5Å; V1030-V1106 HydrophobicContact CG2-CB 3.82Å; V1030-V1106 HydrophobicContact CG2-CG1 4.16Å; V1030-A1107 HydrophobicContact CB-CB 3.52Å; V1030-A1107 HydrophobicContact CG1-CB 3.37Å; V1030-S1119 PolarHBondContact N-OG 2.92Å; V1030-S1119 VanDerWaalsContact N-OG 3.15Å; V1030-S1119 WeakPolarHBondContact O-CB 3.46Å; V1030-S1119 PolarHBondContact O-OG 2.9Å | |||
| 1031 | V | 35.6 | Very low | 33.1 | Very low | 105.6 Ų | 105.6 | 129.6 Ų | 129.6 | 64% | 0.64 | 71% | 0.706 | S | S | * | * | trans | -149.5 | 110.8 | 157.3 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | K1029 M1033 A1107 | K1029-V1031 PolarHBondContact O-N 3.39Å; V1031-M1033 HydrophobicContact CG1-CB 4.16Å; V1031-M1033 HydrophobicContact CG1-CG 3.98Å; V1031-M1033 PolarHBondContact O-N 2.96Å; V1031-A1107 HydrophobicContact CB-CB 4.39Å; V1031-A1107 HydrophobicContact CG2-CB 3.25Å | ||
| 1032 | P | 30.9 | Very low | 33.1 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 63% | 0.63 | 71% | 0.707 | S | S | * | * | trans | -77.4 | 140.9 | 158.7 | 24.7 | -20.9 | 0 | 0 | 0 | 110.5 | V1030 D1034 K1104 | V1030-P1032 HydrophobicContact CG1-CG 4.47Å; P1032-D1034 PolarHBondContact O-N 3.13Å; P1032-D1034 VanDerWaalsContact O-N 3.15Å; P1032-K1104 HydrophobicContact CB-CG 4.1Å; P1032-K1104 HydrophobicContact CG-CG 4.04Å; P1032-K1104 WeakPolarHBondContact O-CE 3.16Å; P1032-K1104 VanDerWaalsContact O-CG 3.23Å; P1032-K1104 WeakPolarHBondContact O-CG 3.49Å | ||
| 1033 | M | 33.9 | Very low | 33.1 | Very low | 152.8 Ų | 152.8 | 132.4 Ų | 132.4 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | -125.9 | 113.4 | 168.3 | -87 | -86.4 | 103.6 | 0 | 0 | 109.1 | V1031 D1035 K1104 | V1031-M1033 HydrophobicContact CG1-CB 4.16Å; V1031-M1033 HydrophobicContact CG1-CG 3.98Å; V1031-M1033 PolarHBondContact O-N 2.96Å; M1033-D1035 PolarHBondContact O-N 3.36Å; M1033-K1104 HydrophobicContact CE-CD 4.32Å | ||
| 1034 | D | 34.2 | Very low | 33.1 | Very low | 121.8 Ų | 121.8 | 131.3 Ų | 131.3 | 65% | 0.651 | 70% | 0.697 | S | S | * | * | trans | 39 | 115.2 | 140.9 | -75.9 | 8.4 | 0 | 0 | 0 | 117.2 | P1032 K1036 K1104 | P1032-D1034 PolarHBondContact O-N 3.13Å; P1032-D1034 VanDerWaalsContact O-N 3.15Å; D1034-K1036 PolarHBondContact O-N 2.91Å; D1034-K1036 IonicContact OD1-NZ 2.62Å; D1034-K1036 PolarHBondContact OD1-NZ 3.2Å; D1034-K1036 IonicContact OD2-NZ 2.71Å; D1034-K1036 PolarHBondContact OD2-NZ 2.96Å; D1034-K1104 WeakPolarHBondContact OD1-CE 3.32Å; D1034-K1104 IonicContact OD1-NZ 3.95Å; D1034-K1104 PolarHBondContact OD1-NZ 2.71Å; D1034-K1104 IonicContact OD2-NZ 3.84Å | ||
| 1035 | D | 32.5 | Very low | 33.6 | Very low | 144.8 Ų | 144.8 | 134.7 Ų | 134.7 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | trans | -65.4 | 127.6 | 147 | -82.8 | -38.8 | 0 | 0 | 0 | 115.3 | M1033 | M1033-D1035 PolarHBondContact O-N 3.36Š| ||
| 1036 | K | 32.2 | Very low | 34.4 | Very low | 166.6 Ų | 166.6 | 131 Ų | 131 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | trans | 111.7 | 71.3 | 156.3 | -67.3 | 169.5 | -176.8 | 132.1 | 0 | 116.2 | D1034 | D1034-K1036 PolarHBondContact O-N 2.91Å; D1034-K1036 IonicContact OD1-NZ 2.62Å; D1034-K1036 PolarHBondContact OD1-NZ 3.2Å; D1034-K1036 IonicContact OD2-NZ 2.71Å; D1034-K1036 PolarHBondContact OD2-NZ 2.96Å | ||
| 1037 | H | 31.7 | Very low | 35.5 | Very low | 173.2 Ų | 173.2 | 126.3 Ų | 126.3 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | trans | -139.6 | 41.3 | 156.6 | -93.8 | -58.3 | 0 | 0 | 0 | 115.1 | E1039 | H1037-E1039 PolarHBondContact O-N 3.27Š| ||
| 1038 | D | 30.4 | Very low | 36.9 | Very low | 158.2 Ų | 158.2 | 126 Ų | 126 | 85% | 0.846 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 70.4 | -176.8 | -74.8 | -43.6 | 0 | 0 | 0 | 114.6 | V1040 | D1038-V1040 PolarHBondContact O-N 2.75Š|
| 1039 | E | 31.7 | Very low | 38.2 | Very low | 170.8 Ų | 170.8 | 120.5 Ų | 120.5 | 80% | 0.798 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 20.3 | 172.4 | -105.4 | -171.8 | 157 | 0 | 0 | 116.1 | H1037 N1041 R1042 | H1037-E1039 PolarHBondContact O-N 3.27Å; E1039-N1041 PolarHBondContact O-N 3.39Å; E1039-R1042 IonicContact OE1-NH2 2.72Å; E1039-R1042 PolarHBondContact OE1-NH2 3.48Å; E1039-R1042 VanDerWaalsContact OE1-NH2 3.16Å |
| 1040 | V | 32 | Very low | 39.8 | Very low | 117.8 Ų | 117.8 | 113.7 Ų | 113.7 | 71% | 0.714 | 59% | 0.586 | S | S | * | * | trans | -91.1 | 33.3 | -174.5 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | D1038 R1042 | D1038-V1040 PolarHBondContact O-N 2.75Å; V1040-R1042 VanDerWaalsContact C-N 3.3Å; V1040-R1042 HydrophobicContact CG1-CG 4.3Å; V1040-R1042 PolarHBondContact O-N 3.19Å; V1040-R1042 VanDerWaalsContact O-N 3.09Å | ||
| 1041 | N | 31.1 | Very low | 41.9 | Very low | 156.4 Ų | 156.4 | 108.7 Ų | 108.7 | 84% | 0.836 | 56% | 0.555 | S | S | * | * | trans | -69.1 | 51.6 | -177.8 | -76.8 | -30.1 | 0 | 0 | 0 | 115.5 | E1039 G1043 | E1039-N1041 PolarHBondContact O-N 3.39Å; N1041-G1043 PolarHBondContact O-N 2.99Å | ||
| 1042 | R | 31.9 | Very low | 43.7 | Very low | 189.2 Ų | 189.2 | 104.4 Ų | 104.4 | 71% | 0.714 | 53% | 0.529 | S | S | * | . | trans | -90.1 | 60 | 164.7 | -71.2 | -165.2 | -175.4 | -161.5 | 6.5 | 112 | E1039 V1040 M1044 | E1039-R1042 IonicContact OE1-NH2 2.72Å; E1039-R1042 PolarHBondContact OE1-NH2 3.48Å; E1039-R1042 VanDerWaalsContact OE1-NH2 3.16Å; V1040-R1042 VanDerWaalsContact C-N 3.3Å; V1040-R1042 HydrophobicContact CG1-CG 4.3Å; V1040-R1042 PolarHBondContact O-N 3.19Å; V1040-R1042 VanDerWaalsContact O-N 3.09Å; R1042-M1044 PolarHBondContact O-N 3.36Å | ||
| 1043 | G | 33.3 | Very low | 45.6 | Very low | 61.8 Ų | 61.8 | 100.1 Ų | 100.1 | 64% | 0.637 | 50% | 0.504 | S | S | * | . | trans | -70.9 | 123.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1041 R1045 | N1041-G1043 PolarHBondContact O-N 2.99Å; G1043-R1045 PolarHBondContact O-N 3.15Å | ||
| 1044 | M | 37 | Very low | 47.4 | Very low | 104.4 Ų | 104.4 | 97.9 Ų | 97.9 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | trans | -65.3 | 116.6 | 175 | -129.4 | 167 | 117.3 | 0 | 0 | 109.9 | L738 P741 I908 R1042 | L738-M1044 HydrophobicContact CB-CE 3.89Å; L738-M1044 WeakPolarHBondContact O-CE 3.44Å; P741-M1044 HydrophobicContact CB-CG 4.24Å; P741-M1044 HydrophobicContact CB-SD 4.22Å; P741-M1044 HydrophobicContact CG-CG 3.9Å; I908-M1044 HydrophobicContact CG1-CG 4.15Å; I908-M1044 HydrophobicContact CG1-SD 4.47Å; R1042-M1044 PolarHBondContact O-N 3.36Å | ||
| 1045 | R | 43.9 | Very low | 49.6 | Very low | 183.8 Ų | 183.8 | 92.1 Ų | 92.1 | 69% | 0.694 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 111.1 | 179.3 | -144 | 175.4 | -176.7 | 172.2 | 0.9 | 110.9 | I907 G1043 V1047 | I907-R1045 PolarHBondContact N-O 2.98Å; I907-R1045 PolarHBondContact O-N 2.97Å; G1043-R1045 PolarHBondContact O-N 3.15Å; R1045-V1047 HydrophobicContact CG-CG2 4.37Å; R1045-V1047 PolarHBondContact O-N 3.19Å |
| 1046 | L | 52.4 | Low | 51.8 | Low | 72.6 Ų | 72.6 | 85.3 Ų | 85.3 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.2 | 158.2 | -93.4 | 166.7 | 0 | 0 | 0 | 108.9 | F735 P904 L905 S906 I907 I986 F1048 | F735-L1046 HydrophobicContact CD2-CD2 3.91Å; F735-L1046 HydrophobicContact CE2-CD1 4.01Å; F735-L1046 HydrophobicContact CE2-CD2 3.47Å; F735-L1046 VanDerWaalsContact CE2-CD2 3.47Å; F735-L1046 HydrophobicContact CE2-CG 3.65Å; F735-L1046 HydrophobicContact CZ-CD1 3.76Å; F735-L1046 HydrophobicContact CZ-CD2 3.93Å; F735-L1046 HydrophobicContact CZ-CG 3.96Å; P904-L1046 HydrophobicContact CB-CD2 3.94Å; L905-L1046 VanDerWaalsContact O-O 3.12Å; S906-L1046 WeakPolarHBondContact CA-O 3.41Å; I907-L1046 HydrophobicContact CB-CD1 4.35Å; I907-L1046 WeakPolarHBondContact O-CD1 3.49Å; I986-L1046 HydrophobicContact CG2-CD2 3.4Å; L1046-F1048 HydrophobicContact CB-CE2 4.4Å; L1046-F1048 HydrophobicContact CD1-CE2 4.44Å; L1046-F1048 HydrophobicContact CD2-CE2 4Å; L1046-F1048 HydrophobicContact CD2-CZ 4.01Å |
| 1047 | V | 57.5 | Low | 53.9 | Low | 36.2 Ų | 36.2 | 77.4 Ų | 77.4 | 22% | 0.219 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.5 | 163.9 | 177.4 | 0 | 0 | 0 | 0 | 106.1 | F735 L905 I907 F934 I986 R1045 P1049 L1215 | F735-V1047 HydrophobicContact CE2-CG2 4.01Å; F735-V1047 HydrophobicContact CZ-CG2 3.78Å; L905-V1047 CarbonylContact C-O 3.38Å; L905-V1047 WeakPolarHBondContact CA-O 3.32Å; L905-V1047 WeakPolarHBondContact CB-O 3.41Å; L905-V1047 PolarHBondContact N-O 3.14Å; L905-V1047 CarbonylContact O-C 3.37Å; L905-V1047 WeakPolarHBondContact O-CA 3.39Å; L905-V1047 PolarHBondContact O-N 3.35Å; L905-V1047 VanDerWaalsContact O-O 3.04Å; I907-V1047 HydrophobicContact CB-CG2 4.45Å; I907-V1047 HydrophobicContact CD1-CB 3.88Å; I907-V1047 HydrophobicContact CD1-CG1 4.35Å; I907-V1047 HydrophobicContact CD1-CG2 3.66Å; I907-V1047 HydrophobicContact CG1-CG2 4.42Å; F934-V1047 HydrophobicContact CE2-CG1 3.81Å; F934-V1047 HydrophobicContact CZ-CG1 4.33Å; I986-V1047 HydrophobicContact CD1-CB 4.22Å; I986-V1047 HydrophobicContact CD1-CG1 4.22Å; I986-V1047 VanDerWaalsContact CD1-O 3.24Å; I986-V1047 WeakPolarHBondContact CD1-O 3.43Å; I986-V1047 HydrophobicContact CG1-CB 4.27Å; I986-V1047 WeakPolarHBondContact CG2-O 3.08Å; R1045-V1047 HydrophobicContact CG-CG2 4.37Å; R1045-V1047 PolarHBondContact O-N 3.19Å; V1047-P1049 VanDerWaalsContact O-CD 3.25Å; V1047-P1049 WeakPolarHBondContact O-CD 3.45Å; V1047-L1215 HydrophobicContact CG2-CD1 4.15Å; V1047-L1215 HydrophobicContact CG2-CD2 3.9Å |
| 1048 | F | 60.8 | Low | 56.1 | Low | 55.6 Ų | 55.6 | 70.4 Ų | 70.4 | 24% | 0.244 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 128.5 | 175.5 | -105.7 | -90.5 | 0 | 0 | 0 | 109.4 | F903 P904 L905 I907 L931 F934 I986 L1046 V1050 | F903-F1048 WeakPolarHBondContact O-CD1 3.38Å; P904-F1048 HydrophobicContact CB-CE1 3.88Å; P904-F1048 HydrophobicContact CB-CZ 4.28Å; L905-F1048 HydrophobicContact CB-CB 3.87Å; L905-F1048 HydrophobicContact CD1-CB 4.28Å; L905-F1048 WeakPolarHBondContact O-CB 3.45Å; L905-F1048 PolarHBondContact O-N 3.01Å; I907-F1048 HydrophobicContact CD1-CD2 3.83Å; I907-F1048 HydrophobicContact CD1-CE2 4.03Å; I907-F1048 HydrophobicContact CG1-CD2 4.42Å; L931-F1048 HydrophobicContact CB-CZ 4.35Å; L931-F1048 HydrophobicContact CD1-CE2 4.18Å; L931-F1048 HydrophobicContact CD2-CE2 4.07Å; L931-F1048 HydrophobicContact CD2-CZ 3.72Å; L931-F1048 HydrophobicContact CG-CE2 3.67Å; L931-F1048 HydrophobicContact CG-CZ 3.76Å; F934-F1048 HydrophobicContact CB-CE1 4.31Å; F934-F1048 HydrophobicContact CB-CZ 4.16Å; F934-F1048 HydrophobicContact CD1-CD1 4.47Å; F934-F1048 AromaticContact CD1-CE1 3.76Å; F934-F1048 HydrophobicContact CD1-CE1 3.76Å; F934-F1048 HydrophobicContact CD1-CZ 4.29Å; F934-F1048 HydrophobicContact CD2-CD1 4.21Å; F934-F1048 AromaticContact CD2-CE1 3.68Å; F934-F1048 HydrophobicContact CD2-CE1 3.68Å; F934-F1048 AromaticContact CD2-CE2 3.99Å; F934-F1048 HydrophobicContact CD2-CE2 3.99Å; F934-F1048 AromaticContact CD2-CZ 3.23Å; F934-F1048 HydrophobicContact CD2-CZ 3.71Å; F934-F1048 HydrophobicContact CE1-CD1 4.33Å; F934-F1048 HydrophobicContact CE1-CE1 4.01Å; F934-F1048 HydrophobicContact CE2-CD1 4.3Å; F934-F1048 AromaticContact CE2-CE1 3.83Å; F934-F1048 HydrophobicContact CE2-CE1 4.03Å; F934-F1048 AromaticContact CE2-CE2 4Å; F934-F1048 HydrophobicContact CE2-CE2 4Å; F934-F1048 AromaticContact CE2-CZ 3.61Å; F934-F1048 HydrophobicContact CE2-CZ 3.61Å; F934-F1048 HydrophobicContact CG-CD1 4.49Å; F934-F1048 AromaticContact CG-CE1 3.54Å; F934-F1048 HydrophobicContact CG-CE1 3.79Å; F934-F1048 AromaticContact CG-CZ 3.63Å; F934-F1048 HydrophobicContact CG-CZ 3.63Å; F934-F1048 HydrophobicContact CZ-CD1 4.31Å; F934-F1048 HydrophobicContact CZ-CE1 4.06Å; F934-F1048 HydrophobicContact CZ-CZ 4.31Å; I986-F1048 HydrophobicContact CD1-CB 3.87Å; I986-F1048 HydrophobicContact CD1-CD2 3.61Å; I986-F1048 HydrophobicContact CD1-CE2 4.43Å; I986-F1048 HydrophobicContact CD1-CG 3.95Å; I986-F1048 HydrophobicContact CG1-CD2 4.33Å; L1046-F1048 HydrophobicContact CB-CE2 4.4Å; L1046-F1048 HydrophobicContact CD1-CE2 4.44Å; L1046-F1048 HydrophobicContact CD2-CE2 4Å; L1046-F1048 HydrophobicContact CD2-CZ 4.01Å; F1048-V1050 HydrophobicContact CB-CB 4.48Å; F1048-V1050 HydrophobicContact CB-CG2 3.55Å; F1048-V1050 PolarHBondContact O-N 3.16Å |
| 1049 | P | 61.3 | Low | 58.5 | Low | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 122.7 | 173 | 32.7 | -30.7 | 0 | 0 | 0 | 110.2 | V793 R797 M900 S901 F903 L905 F934 A983 I986 H987 V1047 L1051 | V793-P1049 HydrophobicContact CG1-CB 4.03Å; V793-P1049 HydrophobicContact CG1-CG 4.38Å; R797-P1049 PolarHBondContact NH2-O 3.28Å; M900-P1049 VanDerWaalsContact O-CG 3.23Å; M900-P1049 WeakPolarHBondContact O-CG 3.44Å; S901-P1049 WeakPolarHBondContact CA-O 3.37Å; S901-P1049 WeakPolarHBondContact CB-O 3.42Å; F903-P1049 HydrophobicContact CB-CG 4.12Å; F903-P1049 WeakPolarHBondContact O-CD 3.41Å; L905-P1049 HydrophobicContact CD1-CG 4.44Å; F934-P1049 HydrophobicContact CD1-CB 3.62Å; F934-P1049 HydrophobicContact CD2-CB 4.2Å; F934-P1049 HydrophobicContact CE1-CB 3.7Å; F934-P1049 HydrophobicContact CE2-CB 4.3Å; F934-P1049 HydrophobicContact CG-CB 3.9Å; F934-P1049 HydrophobicContact CZ-CB 4.07Å; A983-P1049 HydrophobicContact CB-CB 3.79Å; A983-P1049 HydrophobicContact CB-CG 4.27Å; I986-P1049 HydrophobicContact CB-CG 4.24Å; I986-P1049 HydrophobicContact CD1-CB 3.78Å; I986-P1049 HydrophobicContact CD1-CG 4.13Å; I986-P1049 HydrophobicContact CG2-CG 4.07Å; H987-P1049 WeakPolarHBondContact CE1-CG 3.24Å; V1047-P1049 VanDerWaalsContact O-CD 3.25Å; V1047-P1049 WeakPolarHBondContact O-CD 3.45Å; P1049-L1051 PolarHBondContact O-N 3.06Å; P1049-L1051 VanDerWaalsContact O-N 3.11Å |
| 1050 | V | 69.3 | Low | 60.7 | Low | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -77.4 | -64.3 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | R797 S901 W952 L979 A982 A983 I986 F1048 | R797-V1050 PolarHBondContact NH1-O 3.12Å; R797-V1050 VanDerWaalsContact NH1-O 3.1Å; S901-V1050 VanDerWaalsContact CA-CG2 3.42Å; S901-V1050 WeakPolarHBondContact O-CG2 3.35Å; S901-V1050 WeakPolarHBondContact OG-CG2 3.35Å; W952-V1050 HydrophobicContact CH2-CG1 3.56Å; W952-V1050 VanDerWaalsContact CH2-CG1 3.49Å; W952-V1050 HydrophobicContact CZ2-CG1 4.1Å; W952-V1050 HydrophobicContact CZ3-CG1 4.49Å; L979-V1050 HydrophobicContact CD1-CG1 4.24Å; L979-V1050 HydrophobicContact CD2-CB 3.89Å; L979-V1050 HydrophobicContact CD2-CG1 4.07Å; L979-V1050 HydrophobicContact CD2-CG2 3.75Å; L979-V1050 WeakPolarHBondContact O-CG1 3.29Å; A982-V1050 HydrophobicContact CB-CG1 3.9Å; A982-V1050 HydrophobicContact CB-CG2 4.2Å; A983-V1050 HydrophobicContact CB-CB 3.99Å; A983-V1050 HydrophobicContact CB-CG1 3.59Å; A983-V1050 VanDerWaalsContact CB-CG1 3.48Å; I986-V1050 HydrophobicContact CD1-CB 4.3Å; I986-V1050 HydrophobicContact CD1-CG1 4.46Å; I986-V1050 HydrophobicContact CD1-CG2 3.92Å; F1048-V1050 HydrophobicContact CB-CB 4.48Å; F1048-V1050 HydrophobicContact CB-CG2 3.55Å; F1048-V1050 PolarHBondContact O-N 3.16Å |
| 1051 | L | 75.6 | Confident | 62.8 | Low | 0.8 Ų | 0.8 | 55.6 Ų | 55.6 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -99.8 | 131.3 | 179.3 | -55 | 172.9 | 0 | 0 | 0 | 109.1 | W952 L953 L979 F980 A983 H987 P1049 L1055 I1056 | W952-L1051 HydrophobicContact CH2-CD2 3.91Å; W952-L1051 HydrophobicContact CZ2-CD2 4.23Å; L953-L1051 HydrophobicContact CD1-CD2 4.18Å; L953-L1051 HydrophobicContact CD2-CD2 4.19Å; L979-L1051 HydrophobicContact CB-CD1 4.22Å; F980-L1051 HydrophobicContact CD1-CD1 3.56Å; F980-L1051 HydrophobicContact CE1-CD1 3.75Å; A983-L1051 HydrophobicContact CB-CB 4.12Å; A983-L1051 HydrophobicContact CB-CD1 4.5Å; H987-L1051 PolarHBondContact CE1-O 3.24Å; H987-L1051 VanDerWaalsContact CE1-O 3.23Å; P1049-L1051 PolarHBondContact O-N 3.06Å; P1049-L1051 VanDerWaalsContact O-N 3.11Å; L1051-L1055 HydrophobicContact CB-CD2 4.1Å; L1051-L1055 HydrophobicContact CD2-CD2 3.83Å; L1051-L1055 HydrophobicContact CG-CD2 4.45Å; L1051-I1056 HydrophobicContact CB-CD1 4.2Å; L1051-I1056 HydrophobicContact CB-CG1 4.24Å |
| 1052 | S | 73.4 | Confident | 64.8 | Low | 14.6 Ų | 14.6 | 52 Ų | 52 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | trans | -70.3 | 154.6 | 179.7 | 69.9 | 0 | 0 | 0 | 0 | 112.2 | E1054 L1055 I1056 | S1052-E1054 VanDerWaalsContact C-N 3.29Å; S1052-E1054 PolarHBondContact O-N 3Å; S1052-L1055 WeakPolarHBondContact O-CB 3.36Å; S1052-L1055 PolarHBondContact O-N 3.15Å; S1052-L1055 VanDerWaalsContact O-N 3.12Å; S1052-L1055 VanDerWaalsContact OG-CB 3.29Å; S1052-L1055 WeakPolarHBondContact OG-CB 3.38Å; S1052-L1055 PolarHBondContact OG-N 3.18Å; S1052-L1055 VanDerWaalsContact OG-N 3.15Å; S1052-I1056 VanDerWaalsContact O-CG1 3.31Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.26Å; S1052-I1056 PolarHBondContact O-N 3.06Å; S1052-I1056 VanDerWaalsContact O-N 3.11Å | ||
| 1053 | G | 72.1 | Confident | 67 | Low | 8.4 Ų | 8.4 | 43.7 Ų | 43.7 | 9% | 0.087 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.1 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H987 T991 L1055 I1056 S1057 | H987-G1053 PolarHBondContact CD2-N 3.35Å; H987-G1053 PolarHBondContact CE1-N 3.26Å; H987-G1053 VanDerWaalsContact CE1-N 3.28Å; H987-G1053 PolarHBondContact NE2-N 3.16Å; T991-G1053 PolarHBondContact OG1-O 3.27Å; G1053-L1055 PolarHBondContact O-N 3.25Å; G1053-I1056 PolarHBondContact O-N 3.04Å; G1053-S1057 VanDerWaalsContact O-CB 3.23Å; G1053-S1057 WeakPolarHBondContact O-CB 3.29Å; G1053-S1057 PolarHBondContact O-N 3.12Å; G1053-S1057 PolarHBondContact O-OG 3.33Å; G1053-S1057 VanDerWaalsContact O-OG 3.06Å |
| 1054 | E | 72.1 | Confident | 69.3 | Low | 106.2 Ų | 106.2 | 45.3 Ų | 45.3 | 50% | 0.496 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.7 | -62.7 | -169.3 | 176.8 | 0 | 0 | 112.7 | F993 S1052 I1056 S1057 Y1058 | F993-E1054 HydrophobicContact CE1-CG 4.49Å; F993-E1054 HydrophobicContact CZ-CB 4.09Å; F993-E1054 HydrophobicContact CZ-CG 4.18Å; S1052-E1054 VanDerWaalsContact C-N 3.29Å; S1052-E1054 PolarHBondContact O-N 3Å; E1054-I1056 VanDerWaalsContact C-N 3.26Å; E1054-I1056 PolarHBondContact O-N 3.02Å; E1054-S1057 WeakPolarHBondContact CA-OG 3.37Å; E1054-S1057 PolarHBondContact O-N 3.23Å; E1054-S1057 PolarHBondContact O-OG 3.45Å; E1054-Y1058 VanDerWaalsContact O-CB 3.27Å; E1054-Y1058 WeakPolarHBondContact O-CB 3.41Å; E1054-Y1058 PolarHBondContact O-N 3.38Å |
| 1055 | L | 78.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 178 | 177.6 | 94.2 | 0 | 0 | 0 | 111.7 | G936 L938 L949 P950 L953 L1051 S1052 G1053 S1057 Y1058 L1059 | G936-L1055 VanDerWaalsContact O-CD2 3.28Å; G936-L1055 WeakPolarHBondContact O-CD2 3.28Å; L938-L1055 HydrophobicContact CB-CB 4.38Å; L938-L1055 HydrophobicContact CB-CD1 4.36Å; L938-L1055 HydrophobicContact CD1-CD1 3.99Å; L938-L1055 HydrophobicContact CD1-CG 4.45Å; L949-L1055 HydrophobicContact CD2-CD1 3.68Å; L949-L1055 HydrophobicContact CD2-CG 4.38Å; P950-L1055 HydrophobicContact CG-CD1 4.26Å; L953-L1055 HydrophobicContact CD2-CD1 4Å; L953-L1055 HydrophobicContact CD2-CD2 3.77Å; L953-L1055 HydrophobicContact CD2-CG 4.34Å; L1051-L1055 HydrophobicContact CB-CD2 4.1Å; L1051-L1055 HydrophobicContact CD2-CD2 3.83Å; L1051-L1055 HydrophobicContact CG-CD2 4.45Å; S1052-L1055 WeakPolarHBondContact O-CB 3.36Å; S1052-L1055 PolarHBondContact O-N 3.15Å; S1052-L1055 VanDerWaalsContact O-N 3.12Å; S1052-L1055 VanDerWaalsContact OG-CB 3.29Å; S1052-L1055 WeakPolarHBondContact OG-CB 3.38Å; S1052-L1055 PolarHBondContact OG-N 3.18Å; S1052-L1055 VanDerWaalsContact OG-N 3.15Å; G1053-L1055 PolarHBondContact O-N 3.25Å; L1055-S1057 VanDerWaalsContact C-N 3.35Å; L1055-Y1058 PolarHBondContact O-N 3.1Å; L1055-L1059 HydrophobicContact CD1-CD1 4.06Å; L1055-L1059 HydrophobicContact CD1-CG 4.22Å; L1055-L1059 HydrophobicContact CD2-CD1 3.67Å; L1055-L1059 HydrophobicContact CD2-CG 4.37Å; L1055-L1059 HydrophobicContact CG-CD1 4.2Å; L1055-L1059 WeakPolarHBondContact O-CB 3.34Å; L1055-L1059 VanDerWaalsContact O-CG 3.26Å; L1055-L1059 WeakPolarHBondContact O-CG 3.36Å; L1055-L1059 PolarHBondContact O-N 3.2Å |
| 1056 | I | 79.1 | Confident | 73.5 | Confident | 1.4 Ų | 1.4 | 32.1 Ų | 32.1 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.2 | -41.8 | 175.3 | -77.6 | 166.2 | 0 | 0 | 0 | 111.1 | A983 V984 H987 W989 L1051 S1052 G1053 E1054 L1059 S1060 | A983-I1056 HydrophobicContact CB-CD1 3.41Å; A983-I1056 VanDerWaalsContact CB-CD1 3.43Å; A983-I1056 HydrophobicContact CB-CG1 4.12Å; V984-I1056 HydrophobicContact CG2-CG2 4.37Å; H987-I1056 HydrophobicContact CB-CD1 4.12Å; H987-I1056 VanDerWaalsContact ND1-CD1 3.27Å; H987-I1056 WeakPolarHBondContact ND1-CD1 3.38Å; W989-I1056 HydrophobicContact CD2-CG2 4.41Å; W989-I1056 HydrophobicContact CE3-CG2 3.48Å; W989-I1056 VanDerWaalsContact CE3-CG2 3.46Å; W989-I1056 HydrophobicContact CH2-CG2 4.21Å; W989-I1056 HydrophobicContact CZ3-CB 4.47Å; W989-I1056 HydrophobicContact CZ3-CG2 3.36Å; L1051-I1056 HydrophobicContact CB-CD1 4.2Å; L1051-I1056 HydrophobicContact CB-CG1 4.24Å; S1052-I1056 VanDerWaalsContact O-CG1 3.31Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.26Å; S1052-I1056 PolarHBondContact O-N 3.06Å; S1052-I1056 VanDerWaalsContact O-N 3.11Å; G1053-I1056 PolarHBondContact O-N 3.04Å; E1054-I1056 VanDerWaalsContact C-N 3.26Å; E1054-I1056 PolarHBondContact O-N 3.02Å; I1056-L1059 PolarHBondContact O-N 3.12Å; I1056-S1060 WeakPolarHBondContact O-CB 3.29Å; I1056-S1060 PolarHBondContact O-N 3.24Å; I1056-S1060 PolarHBondContact O-OG 3.16Å |
| 1057 | S | 75.6 | Confident | 75 | Confident | 0.8 Ų | 0.8 | 30.6 Ų | 30.6 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 174.6 | 178 | 0 | 0 | 0 | 0 | 111.3 | T991 F993 G1053 E1054 L1055 S1060 Q1061 | T991-S1057 PolarHBondContact O-OG 2.91Å; T991-S1057 PolarHBondContact OG1-OG 3.23Å; F993-S1057 WeakPolarHBondContact CD2-OG 3.36Å; G1053-S1057 VanDerWaalsContact O-CB 3.23Å; G1053-S1057 WeakPolarHBondContact O-CB 3.29Å; G1053-S1057 PolarHBondContact O-N 3.12Å; G1053-S1057 PolarHBondContact O-OG 3.33Å; G1053-S1057 VanDerWaalsContact O-OG 3.06Å; E1054-S1057 WeakPolarHBondContact CA-OG 3.37Å; E1054-S1057 PolarHBondContact O-N 3.23Å; E1054-S1057 PolarHBondContact O-OG 3.45Å; L1055-S1057 VanDerWaalsContact C-N 3.35Å; S1057-S1060 WeakPolarHBondContact CA-OG 3.4Å; S1057-S1060 PolarHBondContact O-N 3.04Å; S1057-S1060 PolarHBondContact O-OG 3.09Å; S1057-Q1061 VanDerWaalsContact O-CB 3.24Å; S1057-Q1061 WeakPolarHBondContact O-CB 3.45Å; S1057-Q1061 VanDerWaalsContact O-CG 3.27Å; S1057-Q1061 WeakPolarHBondContact O-CG 3.35Å; S1057-Q1061 PolarHBondContact O-N 3.19Å; S1057-Q1061 PolarHBondContact OG-NE2 3.38Å; S1057-Q1061 VanDerWaalsContact OG-NE2 3.13Å; S1057-Q1061 PolarHBondContact OG-OE1 3.03Å |
| 1058 | Y | 79.4 | Confident | 76.3 | Confident | 27.2 Ų | 27.2 | 33.2 Ų | 33.2 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -51.1 | 173 | -179.8 | -97.1 | 0 | 0 | 0 | 112 | L938 F947 L949 E1054 L1055 S1060 Q1061 K1062 T1063 | L938-Y1058 HydrophobicContact CD1-CD1 3.92Å; L938-Y1058 HydrophobicContact CD1-CE1 4.23Å; L938-Y1058 HydrophobicContact CD1-CG 4.25Å; L938-Y1058 VanDerWaalsContact CD2-CB 3.49Å; L938-Y1058 HydrophobicContact CD2-CD1 4.12Å; L938-Y1058 HydrophobicContact CD2-CD2 3.85Å; L938-Y1058 HydrophobicContact CD2-CE2 4.36Å; L938-Y1058 HydrophobicContact CD2-CG 3.58Å; L938-Y1058 VanDerWaalsContact CD2-CG 3.41Å; L938-Y1058 HydrophobicContact CG-CG 4.44Å; F947-Y1058 HydrophobicContact CB-CD2 4.43Å; F947-Y1058 HydrophobicContact CB-CE2 3.86Å; F947-Y1058 AromaticContact CD2-CD2 3.97Å; F947-Y1058 HydrophobicContact CD2-CD2 4.05Å; F947-Y1058 AromaticContact CD2-CE2 3.59Å; F947-Y1058 HydrophobicContact CD2-CE2 3.59Å; F947-Y1058 VanDerWaalsContact CD2-CE2 3.49Å; F947-Y1058 HydrophobicContact CE2-CD2 4.45Å; F947-Y1058 HydrophobicContact CE2-CE2 4.33Å; F947-Y1058 HydrophobicContact CG-CD2 4.21Å; F947-Y1058 AromaticContact CG-CE2 3.85Å; F947-Y1058 HydrophobicContact CG-CE2 3.89Å; L949-Y1058 HydrophobicContact CD1-CE1 4.47Å; L949-Y1058 HydrophobicContact CD2-CD1 4.24Å; L949-Y1058 HydrophobicContact CD2-CE1 4.17Å; L949-Y1058 HydrophobicContact CG-CE1 4.39Å; E1054-Y1058 VanDerWaalsContact O-CB 3.27Å; E1054-Y1058 WeakPolarHBondContact O-CB 3.41Å; E1054-Y1058 PolarHBondContact O-N 3.38Å; L1055-Y1058 PolarHBondContact O-N 3.1Å; Y1058-S1060 VanDerWaalsContact C-N 3.29Å; Y1058-S1060 PolarHBondContact O-N 3.1Å; Y1058-Q1061 PolarHBondContact O-N 3.17Å; Y1058-K1062 HydrophobicContact CD2-CB 3.78Å; Y1058-K1062 HydrophobicContact CD2-CG 3.83Å; Y1058-K1062 HydrophobicContact CE2-CB 3.73Å; Y1058-K1062 HydrophobicContact CE2-CG 4.01Å; Y1058-K1062 HydrophobicContact CG-CB 4.36Å; Y1058-K1062 WeakPolarHBondContact O-CA 3.35Å; Y1058-K1062 VanDerWaalsContact O-CB 3.26Å; Y1058-K1062 WeakPolarHBondContact O-CB 3.27Å; Y1058-K1062 PolarHBondContact O-N 3.23Å; Y1058-T1063 HydrophobicContact CD1-CG2 4.23Å; Y1058-T1063 HydrophobicContact CE1-CG2 3.96Å; Y1058-T1063 PolarHBondContact O-N 3.02Å |
| 1059 | L | 80.6 | Confident | 77.5 | Confident | 2.4 Ų | 2.4 | 30.6 Ų | 30.6 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -30.3 | -179.8 | -72.1 | 173.3 | 0 | 0 | 0 | 113.1 | L949 L953 L957 F980 L1055 I1056 T1063 L1065 | L949-L1059 HydrophobicContact CD2-CD2 4.16Å; L953-L1059 HydrophobicContact CD2-CD1 4.42Å; L957-L1059 HydrophobicContact CD1-CD2 4.32Å; F980-L1059 HydrophobicContact CE1-CD1 3.87Å; F980-L1059 HydrophobicContact CZ-CD1 4.07Å; L1055-L1059 HydrophobicContact CD1-CD1 4.06Å; L1055-L1059 HydrophobicContact CD1-CG 4.22Å; L1055-L1059 HydrophobicContact CD2-CD1 3.67Å; L1055-L1059 HydrophobicContact CD2-CG 4.37Å; L1055-L1059 HydrophobicContact CG-CD1 4.2Å; L1055-L1059 WeakPolarHBondContact O-CB 3.34Å; L1055-L1059 VanDerWaalsContact O-CG 3.26Å; L1055-L1059 WeakPolarHBondContact O-CG 3.36Å; L1055-L1059 PolarHBondContact O-N 3.2Å; I1056-L1059 PolarHBondContact O-N 3.12Å; L1059-T1063 HydrophobicContact CD2-CG2 4.27Å; L1059-T1063 PolarHBondContact O-N 3.28Å; L1059-T1063 PolarHBondContact O-OG1 3.27Å; L1059-L1065 HydrophobicContact CD2-CD1 4.14Å; L1059-L1065 HydrophobicContact CD2-CD2 4.38Å |
| 1060 | S | 76.9 | Confident | 78.6 | Confident | 27.8 Ų | 27.8 | 30.5 Ų | 30.5 | 19% | 0.194 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -87.7 | -31 | 178.3 | 51.4 | 0 | 0 | 0 | 0 | 114.9 | I1056 S1057 Y1058 | I1056-S1060 WeakPolarHBondContact O-CB 3.29Å; I1056-S1060 PolarHBondContact O-N 3.24Å; I1056-S1060 PolarHBondContact O-OG 3.16Å; S1057-S1060 WeakPolarHBondContact CA-OG 3.4Å; S1057-S1060 PolarHBondContact O-N 3.04Å; S1057-S1060 PolarHBondContact O-OG 3.09Å; Y1058-S1060 VanDerWaalsContact C-N 3.29Å; Y1058-S1060 PolarHBondContact O-N 3.1Å |
| 1061 | Q | 75.8 | Confident | 79.5 | Confident | 104.2 Ų | 104.2 | 33 Ų | 33 | 49% | 0.487 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -103 | -27.2 | -174.4 | -60 | 177.5 | 15.2 | 0 | 0 | 114 | S1057 Y1058 | S1057-Q1061 VanDerWaalsContact O-CB 3.24Å; S1057-Q1061 WeakPolarHBondContact O-CB 3.45Å; S1057-Q1061 VanDerWaalsContact O-CG 3.27Å; S1057-Q1061 WeakPolarHBondContact O-CG 3.35Å; S1057-Q1061 PolarHBondContact O-N 3.19Å; S1057-Q1061 PolarHBondContact OG-NE2 3.38Å; S1057-Q1061 VanDerWaalsContact OG-NE2 3.13Å; S1057-Q1061 PolarHBondContact OG-OE1 3.03Å; Y1058-Q1061 PolarHBondContact O-N 3.17Å |
| 1062 | K | 74.3 | Confident | 80 | Confident | 81.4 Ų | 81.4 | 33.8 Ų | 33.8 | 35% | 0.354 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -2.9 | -176.6 | -64.1 | -69.9 | -172.6 | 166.8 | 0 | 113.7 | T824 E825 Y1058 | T824-K1062 PolarHBondContact N-O 3.15Å; T824-K1062 VanDerWaalsContact N-O 3.12Å; T824-K1062 VanDerWaalsContact OG1-C 3.27Å; T824-K1062 PolarHBondContact OG1-O 3.29Å; T824-K1062 VanDerWaalsContact OG1-O 3.08Å; E825-K1062 IonicContact OE1-NZ 3.37Å; E825-K1062 PolarHBondContact OE1-NZ 3.2Å; E825-K1062 WeakPolarHBondContact OE2-CD 3.48Å; E825-K1062 IonicContact OE2-NZ 3Å; E825-K1062 PolarHBondContact OE2-NZ 3.19Å; Y1058-K1062 HydrophobicContact CD2-CB 3.78Å; Y1058-K1062 HydrophobicContact CD2-CG 3.83Å; Y1058-K1062 HydrophobicContact CE2-CB 3.73Å; Y1058-K1062 HydrophobicContact CE2-CG 4.01Å; Y1058-K1062 HydrophobicContact CG-CB 4.36Å; Y1058-K1062 WeakPolarHBondContact O-CA 3.35Å; Y1058-K1062 VanDerWaalsContact O-CB 3.26Å; Y1058-K1062 WeakPolarHBondContact O-CB 3.27Å; Y1058-K1062 PolarHBondContact O-N 3.23Å |
| 1063 | T | 78.3 | Confident | 80.7 | Confident | 15.4 Ų | 15.4 | 33.2 Ų | 33.2 | 9% | 0.094 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -135.3 | 143.4 | -179.2 | 91.3 | 0 | 0 | 0 | 0 | 113.1 | I822 Y1058 L1059 L1065 | I822-T1063 HydrophobicContact CG2-CG2 4.29Å; I822-T1063 CarbonylContact O-C 3.51Å; I822-T1063 VanDerWaalsContact O-CA 3.28Å; I822-T1063 WeakPolarHBondContact O-CA 3.3Å; I822-T1063 WeakPolarHBondContact O-CB 3.45Å; Y1058-T1063 HydrophobicContact CD1-CG2 4.23Å; Y1058-T1063 HydrophobicContact CE1-CG2 3.96Å; Y1058-T1063 PolarHBondContact O-N 3.02Å; L1059-T1063 HydrophobicContact CD2-CG2 4.27Å; L1059-T1063 PolarHBondContact O-N 3.28Å; L1059-T1063 PolarHBondContact O-OG1 3.27Å; T1063-L1065 PolarHBondContact O-N 3.07Å; T1063-L1065 VanDerWaalsContact O-N 3.14Å; T1063-L1065 WeakPolarHBondContact OG1-CB 3.4Å; T1063-L1065 PolarHBondContact OG1-N 3.44Å |
| 1064 | N | 80.9 | Confident | 81.5 | Confident | 94.2 Ų | 94.2 | 33.1 Ų | 33.1 | 50% | 0.504 | 17% | 0.166 | S | C | . | . | trans | -83.2 | 29.5 | 176.5 | -80.9 | -26.2 | 0 | 0 | 0 | 112.8 | I822 T824 F1066 T1067 Y1068 | I822-N1064 PolarHBondContact O-N 3.14Å; T824-N1064 HydrophobicContact CG2-CB 4.42Å; T824-N1064 WeakPolarHBondContact CG2-ND2 3.49Å; N1064-F1066 PolarHBondContact O-N 3.01Å; N1064-T1067 WeakPolarHBondContact CB-OG1 3.21Å; N1064-T1067 WeakPolarHBondContact O-CB 3.44Å; N1064-T1067 PolarHBondContact O-N 2.98Å; N1064-T1067 VanDerWaalsContact O-N 3.15Å; N1064-T1067 PolarHBondContact O-OG1 3.13Å; N1064-Y1068 HydrophobicContact CB-CD2 3.99Å; N1064-Y1068 HydrophobicContact CB-CE2 4.01Å; N1064-Y1068 VanDerWaalsContact O-CB 3.29Å; N1064-Y1068 WeakPolarHBondContact O-CB 3.23Å; N1064-Y1068 WeakPolarHBondContact O-CD2 3.43Å; N1064-Y1068 PolarHBondContact O-N 3.34Å | ||
| 1065 | L | 84.7 | Confident | 82.3 | Confident | 3.4 Ų | 3.4 | 34.5 Ų | 34.5 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57 | -47.9 | -170.2 | 177.6 | 76.5 | 0 | 0 | 0 | 113.4 | I822 L957 F980 L1059 T1063 T1067 Y1068 L1069 | I822-L1065 HydrophobicContact CD1-CD1 4.14Å; I822-L1065 HydrophobicContact CG2-CB 4.36Å; L957-L1065 HydrophobicContact CD2-CD1 3.64Å; L957-L1065 HydrophobicContact CD2-CD2 3.48Å; L957-L1065 VanDerWaalsContact CD2-CD2 3.46Å; L957-L1065 HydrophobicContact CD2-CG 4.22Å; F980-L1065 HydrophobicContact CE2-CD2 3.97Å; F980-L1065 HydrophobicContact CZ-CD2 3.69Å; L1059-L1065 HydrophobicContact CD2-CD1 4.14Å; L1059-L1065 HydrophobicContact CD2-CD2 4.38Å; T1063-L1065 PolarHBondContact O-N 3.07Å; T1063-L1065 VanDerWaalsContact O-N 3.14Å; T1063-L1065 WeakPolarHBondContact OG1-CB 3.4Å; T1063-L1065 PolarHBondContact OG1-N 3.44Å; L1065-T1067 VanDerWaalsContact C-N 3.31Å; L1065-T1067 PolarHBondContact O-N 3.14Å; L1065-Y1068 PolarHBondContact O-N 2.97Å; L1065-L1069 HydrophobicContact CD1-CD1 3.85Å; L1065-L1069 HydrophobicContact CD1-CG 4.02Å; L1065-L1069 HydrophobicContact CD2-CD1 4.03Å; L1065-L1069 HydrophobicContact CD2-CG 4.43Å; L1065-L1069 HydrophobicContact CG-CD1 3.91Å; L1065-L1069 HydrophobicContact CG-CG 4.43Å; L1065-L1069 WeakPolarHBondContact O-CB 3.35Å; L1065-L1069 WeakPolarHBondContact O-CG 3.37Å; L1065-L1069 PolarHBondContact O-N 3.18Å |
| 1066 | F | 84.2 | Confident | 82.7 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.6 | -34.5 | -177 | -71.8 | -80.3 | 0 | 0 | 0 | 113 | F980 W989 N1064 G1070 L1095 L1098 A1099 P1100 C1124 I1125 | F980-F1066 HydrophobicContact CD2-CE1 4.23Å; F980-F1066 AromaticContact CD2-CZ 3.8Å; F980-F1066 HydrophobicContact CD2-CZ 3.92Å; F980-F1066 HydrophobicContact CE2-CE1 4.22Å; F980-F1066 HydrophobicContact CE2-CE2 4.34Å; F980-F1066 AromaticContact CE2-CZ 3.76Å; F980-F1066 HydrophobicContact CE2-CZ 3.76Å; F980-F1066 HydrophobicContact CZ-CZ 4.41Å; W989-F1066 HydrophobicContact CH2-CE1 4.49Å; W989-F1066 AromaticContact CH2-CE2 3.71Å; W989-F1066 HydrophobicContact CH2-CE2 3.71Å; W989-F1066 AromaticContact CH2-CZ 3.51Å; W989-F1066 HydrophobicContact CH2-CZ 3.51Å; W989-F1066 VanDerWaalsContact CH2-CZ 3.44Å; W989-F1066 HydrophobicContact CZ2-CE2 4.29Å; W989-F1066 AromaticContact CZ2-CZ 3.9Å; W989-F1066 HydrophobicContact CZ2-CZ 3.95Å; W989-F1066 HydrophobicContact CZ3-CE2 4.29Å; W989-F1066 HydrophobicContact CZ3-CZ 4.44Å; N1064-F1066 PolarHBondContact O-N 3.01Å; F1066-G1070 PolarHBondContact O-N 3.25Å; F1066-G1070 VanDerWaalsContact O-N 3.11Å; F1066-L1095 HydrophobicContact CD1-CD1 3.95Å; F1066-L1095 HydrophobicContact CD1-CG 4.33Å; F1066-L1095 HydrophobicContact CE1-CD1 4.18Å; F1066-L1098 HydrophobicContact CE1-CB 4.44Å; F1066-L1098 HydrophobicContact CE1-CD2 3.78Å; F1066-L1098 HydrophobicContact CE1-CG 4.44Å; F1066-L1098 HydrophobicContact CZ-CD2 3.92Å; F1066-A1099 HydrophobicContact CD1-CB 4.21Å; F1066-A1099 HydrophobicContact CG-CB 4.49Å; F1066-P1100 HydrophobicContact CD2-CG 4.2Å; F1066-P1100 HydrophobicContact CE2-CG 4.36Å; F1066-C1124 VanDerWaalsContact CB-SG 3.52Å; F1066-C1124 WeakPolarHBondContact CB-SG 3.42Å; F1066-I1125 WeakPolarHBondContact O-CG1 3.41Å |
| 1067 | T | 83.3 | Confident | 83 | Confident | 42.6 Ų | 42.6 | 34.9 Ų | 34.9 | 26% | 0.261 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70.8 | -44.8 | 173.5 | 11.5 | 0 | 0 | 0 | 0 | 110.9 | N1064 L1065 L1069 G1070 V1071 C1124 F1128 | N1064-T1067 WeakPolarHBondContact CB-OG1 3.21Å; N1064-T1067 WeakPolarHBondContact O-CB 3.44Å; N1064-T1067 PolarHBondContact O-N 2.98Å; N1064-T1067 VanDerWaalsContact O-N 3.15Å; N1064-T1067 PolarHBondContact O-OG1 3.13Å; L1065-T1067 VanDerWaalsContact C-N 3.31Å; L1065-T1067 PolarHBondContact O-N 3.14Å; T1067-L1069 PolarHBondContact O-N 3.33Å; T1067-G1070 CarbonylContact O-C 3.57Å; T1067-G1070 WeakPolarHBondContact O-CA 3.41Å; T1067-G1070 PolarHBondContact O-N 3.05Å; T1067-G1070 VanDerWaalsContact O-N 3.13Å; T1067-V1071 HydrophobicContact CG2-CG2 4.42Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.41Å; T1067-V1071 PolarHBondContact O-N 3.25Å; T1067-C1124 HydrophobicContact CG2-CB 3.69Å; T1067-F1128 HydrophobicContact CG2-CB 4.41Å |
| 1068 | Y | 85.1 | Confident | 83.5 | Confident | 90.8 Ų | 90.8 | 35.2 Ų | 35.2 | 36% | 0.356 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 177 | -120.9 | -80.8 | 0 | 0 | 0 | 112.9 | F818 R821 I822 C961 N1064 L1065 G1070 V1071 S1072 | F818-Y1068 HydrophobicContact CE2-CD1 4.43Å; F818-Y1068 HydrophobicContact CE2-CE1 4.18Å; R821-Y1068 VanDerWaalsContact O-CE2 3.28Å; R821-Y1068 WeakPolarHBondContact O-CE2 3.3Å; R821-Y1068 PolarHBondContact O-OH 3.1Å; I822-Y1068 HydrophobicContact CD1-CD1 4.28Å; I822-Y1068 HydrophobicContact CD1-CD2 4.43Å; I822-Y1068 HydrophobicContact CD1-CG 4.22Å; I822-Y1068 HydrophobicContact CG1-CD2 3.85Å; I822-Y1068 HydrophobicContact CG1-CE2 4.09Å; I822-Y1068 HydrophobicContact CG1-CG 4.07Å; C961-Y1068 HydrophobicContact CB-CD1 3.78Å; C961-Y1068 HydrophobicContact CB-CE1 3.8Å; N1064-Y1068 HydrophobicContact CB-CD2 3.99Å; N1064-Y1068 HydrophobicContact CB-CE2 4.01Å; N1064-Y1068 VanDerWaalsContact O-CB 3.29Å; N1064-Y1068 WeakPolarHBondContact O-CB 3.23Å; N1064-Y1068 WeakPolarHBondContact O-CD2 3.43Å; N1064-Y1068 PolarHBondContact O-N 3.34Å; L1065-Y1068 PolarHBondContact O-N 2.97Å; Y1068-G1070 VanDerWaalsContact C-N 3.29Å; Y1068-G1070 PolarHBondContact O-N 3.5Å; Y1068-V1071 PolarHBondContact O-N 3.13Å; Y1068-S1072 VanDerWaalsContact O-CB 3.28Å; Y1068-S1072 WeakPolarHBondContact O-CB 3.27Å; Y1068-S1072 PolarHBondContact O-N 3.1Å |
| 1069 | L | 86.2 | Confident | 83.5 | Confident | 0.2 Ų | 0.2 | 38.8 Ų | 38.8 | 0% | 0.001 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 173.8 | -74.1 | 172.9 | 0 | 0 | 0 | 111.8 | C961 L973 L976 L1065 T1067 S1072 L1073 L1095 | C961-L1069 WeakPolarHBondContact SG-CD2 3.3Å; L973-L1069 HydrophobicContact CD1-CD1 3.93Å; L973-L1069 HydrophobicContact CD1-CD2 3.69Å; L973-L1069 HydrophobicContact CD1-CG 4.39Å; L973-L1069 HydrophobicContact CD2-CD2 4.25Å; L976-L1069 HydrophobicContact CD2-CD1 3.99Å; L1065-L1069 HydrophobicContact CD1-CD1 3.85Å; L1065-L1069 HydrophobicContact CD1-CG 4.02Å; L1065-L1069 HydrophobicContact CD2-CD1 4.03Å; L1065-L1069 HydrophobicContact CD2-CG 4.43Å; L1065-L1069 HydrophobicContact CG-CD1 3.91Å; L1065-L1069 HydrophobicContact CG-CG 4.43Å; L1065-L1069 WeakPolarHBondContact O-CB 3.35Å; L1065-L1069 WeakPolarHBondContact O-CG 3.37Å; L1065-L1069 PolarHBondContact O-N 3.18Å; T1067-L1069 PolarHBondContact O-N 3.33Å; L1069-S1072 PolarHBondContact O-N 3.03Å; L1069-L1073 WeakPolarHBondContact O-CB 3.38Å; L1069-L1073 WeakPolarHBondContact O-CG 3.46Å; L1069-L1073 PolarHBondContact O-N 3.18Å; L1069-L1095 HydrophobicContact CB-CD1 4.24Å; L1069-L1095 HydrophobicContact CB-CD2 3.55Å; L1069-L1095 VanDerWaalsContact CB-CD2 3.45Å; L1069-L1095 HydrophobicContact CB-CG 4.43Å; L1069-L1095 HydrophobicContact CD1-CD1 3.92Å |
| 1070 | G | 85.8 | Confident | 83.6 | Confident | 1.2 Ų | 1.2 | 45.8 Ų | 45.8 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1066 T1067 Y1068 S1072 L1073 W1074 | F1066-G1070 PolarHBondContact O-N 3.25Å; F1066-G1070 VanDerWaalsContact O-N 3.11Å; T1067-G1070 CarbonylContact O-C 3.57Å; T1067-G1070 WeakPolarHBondContact O-CA 3.41Å; T1067-G1070 PolarHBondContact O-N 3.05Å; T1067-G1070 VanDerWaalsContact O-N 3.13Å; Y1068-G1070 VanDerWaalsContact C-N 3.29Å; Y1068-G1070 PolarHBondContact O-N 3.5Å; G1070-S1072 VanDerWaalsContact C-N 3.34Å; G1070-S1072 PolarHBondContact O-N 3.08Å; G1070-L1073 PolarHBondContact O-N 3Å; G1070-W1074 VanDerWaalsContact O-CB 3.26Å; G1070-W1074 WeakPolarHBondContact O-CB 3.41Å; G1070-W1074 PolarHBondContact O-N 3.35Å |
| 1071 | V | 87.3 | Confident | 83.9 | Confident | 61.4 Ų | 61.4 | 47.4 Ų | 47.4 | 37% | 0.372 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | T1067 Y1068 L1073 W1074 R1075 F1128 | T1067-V1071 HydrophobicContact CG2-CG2 4.42Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.41Å; T1067-V1071 PolarHBondContact O-N 3.25Å; Y1068-V1071 PolarHBondContact O-N 3.13Å; V1071-L1073 VanDerWaalsContact C-N 3.34Å; V1071-L1073 PolarHBondContact O-N 3.25Å; V1071-W1074 WeakPolarHBondContact O-CB 3.32Å; V1071-W1074 PolarHBondContact O-N 3.05Å; V1071-R1075 PolarHBondContact O-N 3.14Å; V1071-R1075 VanDerWaalsContact O-N 3.11Å; V1071-F1128 HydrophobicContact CB-CE1 4.25Å; V1071-F1128 HydrophobicContact CB-CE2 4.39Å; V1071-F1128 HydrophobicContact CB-CZ 4.1Å; V1071-F1128 HydrophobicContact CG1-CE1 4.46Å; V1071-F1128 HydrophobicContact CG1-CE2 4.41Å; V1071-F1128 HydrophobicContact CG1-CZ 4.12Å; V1071-F1128 HydrophobicContact CG2-CD1 4.11Å; V1071-F1128 HydrophobicContact CG2-CD2 3.84Å; V1071-F1128 HydrophobicContact CG2-CE1 3.8Å; V1071-F1128 HydrophobicContact CG2-CE2 3.51Å; V1071-F1128 VanDerWaalsContact CG2-CE2 3.44Å; V1071-F1128 HydrophobicContact CG2-CG 4.13Å; V1071-F1128 HydrophobicContact CG2-CZ 3.49Å; V1071-F1128 VanDerWaalsContact CG2-CZ 3.44Å |
| 1072 | S | 86.4 | Confident | 84.2 | Confident | 17.8 Ų | 17.8 | 46.2 Ų | 46.2 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | -178.3 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | C961 K969 Y1068 L1069 G1070 R1075 Y1076 | C961-S1072 PolarHBondContact O-OG 3.18Å; K969-S1072 WeakPolarHBondContact CE-OG 3.21Å; K969-S1072 PolarHBondContact NZ-OG 3.16Å; Y1068-S1072 VanDerWaalsContact O-CB 3.28Å; Y1068-S1072 WeakPolarHBondContact O-CB 3.27Å; Y1068-S1072 PolarHBondContact O-N 3.1Å; L1069-S1072 PolarHBondContact O-N 3.03Å; G1070-S1072 VanDerWaalsContact C-N 3.34Å; G1070-S1072 PolarHBondContact O-N 3.08Å; S1072-R1075 WeakPolarHBondContact O-CB 3.2Å; S1072-R1075 PolarHBondContact O-N 3.45Å; S1072-Y1076 VanDerWaalsContact O-CD2 3.23Å; S1072-Y1076 WeakPolarHBondContact O-CD2 3.22Å; S1072-Y1076 WeakPolarHBondContact O-CE2 3.26Å |
| 1073 | L | 87.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 173.5 | -72.3 | 175 | 0 | 0 | 0 | 112.5 | L973 L1069 G1070 V1071 R1075 Y1076 T1088 L1091 L1092 L1095 | L973-L1073 HydrophobicContact CD2-CD1 3.81Å; L973-L1073 HydrophobicContact CD2-CD2 3.99Å; L973-L1073 HydrophobicContact CD2-CG 4.05Å; L1069-L1073 WeakPolarHBondContact O-CB 3.38Å; L1069-L1073 WeakPolarHBondContact O-CG 3.46Å; L1069-L1073 PolarHBondContact O-N 3.18Å; G1070-L1073 PolarHBondContact O-N 3Å; V1071-L1073 VanDerWaalsContact C-N 3.34Å; V1071-L1073 PolarHBondContact O-N 3.25Å; L1073-R1075 PolarHBondContact O-N 3.21Å; L1073-R1075 VanDerWaalsContact O-N 3.16Å; L1073-Y1076 PolarHBondContact O-N 3.12Å; L1073-T1088 HydrophobicContact CB-CG2 4.24Å; L1073-T1088 HydrophobicContact CD2-CG2 4.29Å; L1073-T1088 VanDerWaalsContact O-CG2 3.26Å; L1073-T1088 WeakPolarHBondContact O-CG2 3.44Å; L1073-L1091 HydrophobicContact CD1-CB 3.84Å; L1073-L1091 HydrophobicContact CD2-CB 3.93Å; L1073-L1091 HydrophobicContact CD2-CD1 4.09Å; L1073-L1092 HydrophobicContact CB-CB 4.42Å; L1073-L1092 HydrophobicContact CB-CD1 4.02Å; L1073-L1092 HydrophobicContact CB-CG 4.28Å; L1073-L1092 HydrophobicContact CD1-CB 4.05Å; L1073-L1092 HydrophobicContact CD1-CD1 4.21Å; L1073-L1092 HydrophobicContact CD1-CG 4.18Å; L1073-L1095 HydrophobicContact CD1-CD2 4.23Å |
| 1074 | W | 89.4 | Confident | 85 | Confident | 7.4 Ų | 7.4 | 49.9 Ų | 49.9 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -29.6 | 179.4 | -171.4 | -108.4 | 0 | 0 | 0 | 112.9 | G1070 V1071 Y1076 L1077 L1092 F1128 I1129 Q1132 A1144 R1147 F1148 L1151 | G1070-W1074 VanDerWaalsContact O-CB 3.26Å; G1070-W1074 WeakPolarHBondContact O-CB 3.41Å; G1070-W1074 PolarHBondContact O-N 3.35Å; V1071-W1074 WeakPolarHBondContact O-CB 3.32Å; V1071-W1074 PolarHBondContact O-N 3.05Å; W1074-Y1076 VanDerWaalsContact C-N 3.29Å; W1074-Y1076 PolarHBondContact O-N 3.15Å; W1074-L1077 HydrophobicContact CD2-CD1 4.38Å; W1074-L1077 HydrophobicContact CE3-CD1 3.61Å; W1074-L1077 HydrophobicContact CZ3-CD1 3.8Å; W1074-L1077 PolarHBondContact O-N 3.03Å; W1074-L1092 HydrophobicContact CE3-CD1 4.18Å; W1074-L1092 HydrophobicContact CE3-CD2 4.17Å; W1074-L1092 HydrophobicContact CZ3-CD2 4.49Å; W1074-F1128 HydrophobicContact CB-CE1 4.03Å; W1074-F1128 AromaticContact CD1-CE1 3.87Å; W1074-F1128 AromaticContact CG-CE1 3.92Å; W1074-F1128 HydrophobicContact CG-CE1 3.98Å; W1074-I1129 HydrophobicContact CD2-CG1 4.25Å; W1074-I1129 HydrophobicContact CE3-CD1 3.92Å; W1074-I1129 HydrophobicContact CE3-CG1 3.81Å; W1074-I1129 HydrophobicContact CH2-CB 4.48Å; W1074-I1129 HydrophobicContact CH2-CD1 4.4Å; W1074-I1129 HydrophobicContact CH2-CG1 4.14Å; W1074-I1129 HydrophobicContact CH2-CG2 3.67Å; W1074-I1129 HydrophobicContact CZ2-CG1 4.47Å; W1074-I1129 HydrophobicContact CZ2-CG2 4.13Å; W1074-I1129 HydrophobicContact CZ3-CD1 3.73Å; W1074-I1129 HydrophobicContact CZ3-CG1 3.77Å; W1074-I1129 HydrophobicContact CZ3-CG2 4.06Å; W1074-Q1132 VanDerWaalsContact CD1-OE1 3.26Å; W1074-A1144 HydrophobicContact CZ2-CB 4.41Å; W1074-R1147 HydrophobicContact CH2-CB 3.68Å; W1074-R1147 HydrophobicContact CZ2-CB 3.54Å; W1074-R1147 VanDerWaalsContact CZ2-CB 3.48Å; W1074-R1147 HydrophobicContact CZ2-CG 4.44Å; W1074-R1147 HydrophobicContact CZ3-CB 4.36Å; W1074-R1147 PolarHBondContact O-NH1 3.11Å; W1074-F1148 HydrophobicContact CH2-CB 4.06Å; W1074-L1151 HydrophobicContact CZ3-CD2 4.26Å |
| 1075 | R | 88.1 | Confident | 85.2 | Confident | 134.4 Ų | 134.4 | 46.5 Ų | 46.5 | 51% | 0.507 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -37.4 | 171.8 | -166.3 | 176.1 | 141 | -178.7 | -1.2 | 112.8 | D964 V1071 S1072 L1073 L1077 S1078 Y1081 R1147 | D964-R1075 IonicContact OD1-CZ 2.92Å; D964-R1075 IonicContact OD1-NH1 3.35Å; D964-R1075 PolarHBondContact OD1-NH1 3.3Å; D964-R1075 IonicContact OD1-NH2 3.55Å; D964-R1075 PolarHBondContact OD1-NH2 3.08Å; V1071-R1075 PolarHBondContact O-N 3.14Å; V1071-R1075 VanDerWaalsContact O-N 3.11Å; S1072-R1075 WeakPolarHBondContact O-CB 3.2Å; S1072-R1075 PolarHBondContact O-N 3.45Å; L1073-R1075 PolarHBondContact O-N 3.21Å; L1073-R1075 VanDerWaalsContact O-N 3.16Å; R1075-L1077 VanDerWaalsContact C-N 3.3Å; R1075-L1077 PolarHBondContact O-N 3.17Å; R1075-S1078 WeakPolarHBondContact O-CB 3.13Å; R1075-S1078 PolarHBondContact O-N 3.11Å; R1075-S1078 PolarHBondContact O-OG 3.15Å; R1075-Y1081 HydrophobicContact CG-CE2 4.41Å; R1075-R1147 PolarHBondContact O-NH1 3.19Å |
| 1076 | Y | 86.9 | Confident | 85.1 | Confident | 8 Ų | 8 | 50.3 Ų | 50.3 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -0.2 | 179.3 | -66 | -82.2 | 0 | 0 | 0 | 114.3 | L963 D964 F966 K969 S1072 L1073 W1074 S1078 Y1081 Y1084 H1085 T1088 | L963-Y1076 PolarHBondContact O-OH 3.22Å; D964-Y1076 PolarHBondContact O-OH 3.12Å; D964-Y1076 VanDerWaalsContact O-OH 3.13Å; F966-Y1076 HydrophobicContact CB-CD1 4.4Å; F966-Y1076 HydrophobicContact CB-CE1 3.94Å; F966-Y1076 AromaticContact CD2-CD1 3.65Å; F966-Y1076 HydrophobicContact CD2-CD1 3.65Å; F966-Y1076 AromaticContact CD2-CD2 3.85Å; F966-Y1076 HydrophobicContact CD2-CD2 3.85Å; F966-Y1076 AromaticContact CD2-CE1 3.8Å; F966-Y1076 HydrophobicContact CD2-CE1 3.8Å; F966-Y1076 AromaticContact CD2-CE2 3.94Å; F966-Y1076 HydrophobicContact CD2-CE2 4Å; F966-Y1076 AromaticContact CD2-CG 3.69Å; F966-Y1076 HydrophobicContact CD2-CG 3.69Å; F966-Y1076 AromaticContact CD2-CZ 3.93Å; F966-Y1076 HydrophobicContact CE2-CD1 4.38Å; F966-Y1076 HydrophobicContact CE2-CD2 4.17Å; F966-Y1076 AromaticContact CE2-CG 3.99Å; F966-Y1076 HydrophobicContact CE2-CG 4.02Å; F966-Y1076 HydrophobicContact CG-CD1 4.36Å; F966-Y1076 HydrophobicContact CG-CE1 4.3Å; K969-Y1076 HydrophobicContact CD-CE2 3.77Å; K969-Y1076 PolarHBondContact NZ-OH 3.19Å; K969-Y1076 VanDerWaalsContact NZ-OH 3.13Å; S1072-Y1076 VanDerWaalsContact O-CD2 3.23Å; S1072-Y1076 WeakPolarHBondContact O-CD2 3.22Å; S1072-Y1076 WeakPolarHBondContact O-CE2 3.26Å; L1073-Y1076 PolarHBondContact O-N 3.12Å; W1074-Y1076 VanDerWaalsContact C-N 3.29Å; W1074-Y1076 PolarHBondContact O-N 3.15Å; Y1076-S1078 VanDerWaalsContact C-N 3.32Å; Y1076-Y1081 AromaticContact CD1-CD1 3.72Å; Y1076-Y1081 HydrophobicContact CD1-CD1 3.72Å; Y1076-Y1081 AromaticContact CD1-CD2 3.97Å; Y1076-Y1081 HydrophobicContact CD1-CD2 4.09Å; Y1076-Y1081 HydrophobicContact CD1-CE1 4.16Å; Y1076-Y1081 HydrophobicContact CD1-CE2 4.38Å; Y1076-Y1081 AromaticContact CD1-CG 3.69Å; Y1076-Y1081 HydrophobicContact CD1-CG 3.69Å; Y1076-Y1081 AromaticContact CE1-CD1 3.88Å; Y1076-Y1081 HydrophobicContact CE1-CD1 4.03Å; Y1076-Y1081 AromaticContact CE1-CE1 3.93Å; Y1076-Y1081 HydrophobicContact CE1-CE1 4.07Å; Y1076-Y1081 HydrophobicContact CE1-CG 4.42Å; Y1076-Y1081 HydrophobicContact CG-CG 4.49Å; Y1076-Y1081 WeakPolarHBondContact O-CB 3.47Å; Y1076-Y1084 HydrophobicContact CD1-CD2 4.46Å; Y1076-H1085 PolarHBondContact O-CD2 3.06Å; Y1076-H1085 VanDerWaalsContact O-CD2 3.25Å; Y1076-H1085 PolarHBondContact O-NE2 3.17Å; Y1076-T1088 WeakPolarHBondContact CB-OG1 3.33Å |
| 1077 | L | 86.6 | Confident | 85 | Confident | 1.4 Ų | 1.4 | 50.7 Ų | 50.7 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.3 | 167.2 | -71.5 | 169.3 | 0 | 0 | 0 | 113.3 | W1074 R1075 T1088 L1092 R1147 L1150 L1151 L1154 | W1074-L1077 HydrophobicContact CD2-CD1 4.38Å; W1074-L1077 HydrophobicContact CE3-CD1 3.61Å; W1074-L1077 HydrophobicContact CZ3-CD1 3.8Å; W1074-L1077 PolarHBondContact O-N 3.03Å; R1075-L1077 VanDerWaalsContact C-N 3.3Å; R1075-L1077 PolarHBondContact O-N 3.17Å; L1077-T1088 HydrophobicContact CD1-CG2 4.45Å; L1077-T1088 HydrophobicContact CD2-CG2 4.12Å; L1077-T1088 HydrophobicContact CG-CG2 3.95Å; L1077-L1092 HydrophobicContact CD1-CD1 3.8Å; L1077-L1092 HydrophobicContact CD1-CD2 3.99Å; L1077-R1147 HydrophobicContact CB-CB 4.36Å; L1077-R1147 HydrophobicContact CB-CG 4.38Å; L1077-L1150 HydrophobicContact CD2-CD2 4.34Å; L1077-L1150 HydrophobicContact CD2-CG 4.4Å; L1077-L1150 VanDerWaalsContact O-CD2 3.29Å; L1077-L1150 WeakPolarHBondContact O-CD2 3.41Å; L1077-L1151 HydrophobicContact CD1-CB 4.4Å; L1077-L1151 HydrophobicContact CD1-CD1 4.27Å; L1077-L1154 HydrophobicContact CD2-CD1 4.46Å |
| 1078 | S | 85.3 | Confident | 85.1 | Confident | 8.4 Ų | 8.4 | 48.7 Ų | 48.7 | 6% | 0.059 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -63.5 | 153.1 | 169.6 | 37.4 | 0 | 0 | 0 | 0 | 111 | R1075 Y1076 E1080 Y1081 H1085 R1147 | R1075-S1078 WeakPolarHBondContact O-CB 3.13Å; R1075-S1078 PolarHBondContact O-N 3.11Å; R1075-S1078 PolarHBondContact O-OG 3.15Å; Y1076-S1078 VanDerWaalsContact C-N 3.32Å; S1078-E1080 PolarHBondContact O-N 3.15Å; S1078-E1080 VanDerWaalsContact O-N 3.12Å; S1078-E1080 PolarHBondContact OG-N 3.49Å; S1078-E1080 PolarHBondContact OG-OE2 3.31Å; S1078-Y1081 PolarHBondContact O-N 3.14Å; S1078-Y1081 VanDerWaalsContact O-N 3.1Å; S1078-Y1081 VanDerWaalsContact OG-CD2 3.28Å; S1078-Y1081 WeakPolarHBondContact OG-CD2 3.42Å; S1078-H1085 PolarHBondContact O-NE2 3.2Å; S1078-R1147 VanDerWaalsContact OG-CZ 3.26Å; S1078-R1147 PolarHBondContact OG-NH1 3.4Å; S1078-R1147 VanDerWaalsContact OG-NH1 3.11Å; S1078-R1147 PolarHBondContact OG-NH2 3.21Å |
| 1079 | P | 80.8 | Confident | 85.1 | Confident | 102.8 Ų | 102.8 | 44.4 Ų | 44.4 | 67% | 0.668 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -59 | -25.6 | -179.4 | 13.2 | -21.8 | 0 | 0 | 0 | 114.2 | Y1081 S1082 | P1079-Y1081 VanDerWaalsContact C-N 3.26Å; P1079-Y1081 PolarHBondContact O-N 3.25Å; P1079-S1082 PolarHBondContact O-N 3.01Å |
| 1080 | E | 82.3 | Confident | 84.9 | Confident | 148.8 Ų | 148.8 | 44.6 Ų | 44.6 | 70% | 0.695 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -57.3 | -34.2 | 177 | -57.7 | 175.4 | 154.9 | 0 | 0 | 113 | S1078 S1082 | S1078-E1080 PolarHBondContact O-N 3.15Å; S1078-E1080 VanDerWaalsContact O-N 3.12Å; S1078-E1080 PolarHBondContact OG-N 3.49Å; S1078-E1080 PolarHBondContact OG-OE2 3.31Å; E1080-S1082 PolarHBondContact O-N 3.04Å |
| 1081 | Y | 83.3 | Confident | 84.8 | Confident | 61.8 Ų | 61.8 | 44.6 Ų | 44.6 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -103 | 28.5 | -172 | -61.5 | -70.4 | 0 | 0 | 0 | 113.4 | R1075 Y1076 S1078 P1079 T1083 Y1084 H1085 | R1075-Y1081 HydrophobicContact CG-CE2 4.41Å; Y1076-Y1081 AromaticContact CD1-CD1 3.72Å; Y1076-Y1081 HydrophobicContact CD1-CD1 3.72Å; Y1076-Y1081 AromaticContact CD1-CD2 3.97Å; Y1076-Y1081 HydrophobicContact CD1-CD2 4.09Å; Y1076-Y1081 HydrophobicContact CD1-CE1 4.16Å; Y1076-Y1081 HydrophobicContact CD1-CE2 4.38Å; Y1076-Y1081 AromaticContact CD1-CG 3.69Å; Y1076-Y1081 HydrophobicContact CD1-CG 3.69Å; Y1076-Y1081 AromaticContact CE1-CD1 3.88Å; Y1076-Y1081 HydrophobicContact CE1-CD1 4.03Å; Y1076-Y1081 AromaticContact CE1-CE1 3.93Å; Y1076-Y1081 HydrophobicContact CE1-CE1 4.07Å; Y1076-Y1081 HydrophobicContact CE1-CG 4.42Å; Y1076-Y1081 HydrophobicContact CG-CG 4.49Å; Y1076-Y1081 WeakPolarHBondContact O-CB 3.47Å; S1078-Y1081 PolarHBondContact O-N 3.14Å; S1078-Y1081 VanDerWaalsContact O-N 3.1Å; S1078-Y1081 VanDerWaalsContact OG-CD2 3.28Å; S1078-Y1081 WeakPolarHBondContact OG-CD2 3.42Å; P1079-Y1081 VanDerWaalsContact C-N 3.26Å; P1079-Y1081 PolarHBondContact O-N 3.25Å; Y1081-T1083 PolarHBondContact O-N 3.11Å; Y1081-Y1084 HydrophobicContact CD1-CD2 4.25Å; Y1081-Y1084 HydrophobicContact CD1-CE2 4.38Å; Y1081-Y1084 PolarHBondContact O-N 3.2Å; Y1081-H1085 PolarHBondContact O-CD2 2.99Å; Y1081-H1085 VanDerWaalsContact O-CD2 3.24Å |
| 1082 | S | 82.6 | Confident | 84.7 | Confident | 78 Ų | 78 | 41.7 Ų | 41.7 | 55% | 0.545 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -48.7 | -32.2 | -175.9 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | P1079 E1080 Y1084 H1085 | P1079-S1082 PolarHBondContact O-N 3.01Å; E1080-S1082 PolarHBondContact O-N 3.04Å; S1082-Y1084 PolarHBondContact O-N 3.17Å; S1082-H1085 PolarHBondContact O-N 2.86Å |
| 1083 | T | 83.2 | Confident | 84.5 | Confident | 110 Ų | 110 | 41.7 Ų | 41.7 | 68% | 0.675 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -65.6 | -16.9 | 175.5 | 51.6 | 0 | 0 | 0 | 0 | 114.7 | Y1081 | Y1081-T1083 PolarHBondContact O-N 3.11Š|
| 1084 | Y | 84.6 | Confident | 84 | Confident | 65.8 Ų | 65.8 | 43.2 Ų | 43.2 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -114.4 | 0.9 | -174.5 | -54.2 | -57.6 | 0 | 0 | 0 | 113.3 | F966 Y1076 Y1081 S1082 D1086 D1087 T1088 | F966-Y1084 HydrophobicContact CB-CD1 4.35Å; F966-Y1084 HydrophobicContact CB-CD2 4.24Å; F966-Y1084 HydrophobicContact CB-CE1 4.3Å; F966-Y1084 HydrophobicContact CB-CE2 4.25Å; F966-Y1084 HydrophobicContact CB-CG 4.29Å; F966-Y1084 AromaticContact CD1-CD1 3.33Å; F966-Y1084 HydrophobicContact CD1-CD1 3.33Å; F966-Y1084 VanDerWaalsContact CD1-CD1 3.45Å; F966-Y1084 HydrophobicContact CD1-CD2 4.38Å; F966-Y1084 AromaticContact CD1-CE1 3.86Å; F966-Y1084 HydrophobicContact CD1-CE1 3.91Å; F966-Y1084 AromaticContact CD1-CG 3.6Å; F966-Y1084 HydrophobicContact CD1-CG 3.6Å; F966-Y1084 HydrophobicContact CD2-CG 4.42Å; F966-Y1084 AromaticContact CE1-CD1 3.83Å; F966-Y1084 HydrophobicContact CE1-CD1 3.83Å; F966-Y1084 AromaticContact CE1-CG 3.98Å; F966-Y1084 HydrophobicContact CE1-CG 4.04Å; F966-Y1084 AromaticContact CG-CD1 3.87Å; F966-Y1084 HydrophobicContact CG-CD1 3.97Å; F966-Y1084 HydrophobicContact CG-CD2 4.22Å; F966-Y1084 HydrophobicContact CG-CE1 4.38Å; F966-Y1084 AromaticContact CG-CG 3.84Å; F966-Y1084 HydrophobicContact CG-CG 3.84Å; Y1076-Y1084 HydrophobicContact CD1-CD2 4.46Å; Y1081-Y1084 HydrophobicContact CD1-CD2 4.25Å; Y1081-Y1084 HydrophobicContact CD1-CE2 4.38Å; Y1081-Y1084 PolarHBondContact O-N 3.2Å; S1082-Y1084 PolarHBondContact O-N 3.17Å; Y1084-D1086 VanDerWaalsContact C-N 3.31Å; Y1084-D1086 PolarHBondContact O-N 3.12Å; Y1084-D1087 PolarHBondContact O-N 3.24Å; Y1084-T1088 VanDerWaalsContact O-CB 3.25Å; Y1084-T1088 WeakPolarHBondContact O-CB 3.33Å; Y1084-T1088 PolarHBondContact O-N 3.05Å; Y1084-T1088 PolarHBondContact O-OG1 3.23Å |
| 1085 | H | 86.6 | Confident | 83.8 | Confident | 22.2 Ų | 22.2 | 42.9 Ų | 42.9 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | -174.2 | -75.6 | -176.5 | 0 | 0 | 0 | 113.8 | Y1076 S1078 Y1081 S1082 T1089 L1150 L1154 | Y1076-H1085 PolarHBondContact O-CD2 3.06Å; Y1076-H1085 VanDerWaalsContact O-CD2 3.25Å; Y1076-H1085 PolarHBondContact O-NE2 3.17Å; S1078-H1085 PolarHBondContact O-NE2 3.2Å; Y1081-H1085 PolarHBondContact O-CD2 2.99Å; Y1081-H1085 VanDerWaalsContact O-CD2 3.24Å; S1082-H1085 PolarHBondContact O-N 2.86Å; H1085-T1089 VanDerWaalsContact O-CB 3.26Å; H1085-T1089 WeakPolarHBondContact O-CB 3.39Å; H1085-T1089 PolarHBondContact O-N 3.13Å; H1085-T1089 PolarHBondContact O-OG1 3.18Å; H1085-L1150 VanDerWaalsContact CE1-CD2 3.47Å; H1085-L1150 WeakPolarHBondContact CE1-CD2 3.35Å; H1085-L1154 HydrophobicContact CB-CD1 3.82Å |
| 1086 | D | 82.7 | Confident | 83.4 | Confident | 82.4 Ų | 82.4 | 36.8 Ų | 36.8 | 44% | 0.441 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.4 | -48.2 | 177.9 | -80.5 | -28.9 | 0 | 0 | 0 | 112.6 | Y1084 T1088 T1089 S1090 Y1158 V1208 | Y1084-D1086 VanDerWaalsContact C-N 3.31Å; Y1084-D1086 PolarHBondContact O-N 3.12Å; D1086-T1088 VanDerWaalsContact C-N 3.31Å; D1086-T1088 PolarHBondContact O-N 2.98Å; D1086-T1089 WeakPolarHBondContact O-CB 3.44Å; D1086-T1089 PolarHBondContact O-N 3.27Å; D1086-S1090 WeakPolarHBondContact O-CB 3.32Å; D1086-S1090 PolarHBondContact O-N 2.93Å; D1086-S1090 VanDerWaalsContact O-N 3.1Å; D1086-S1090 PolarHBondContact O-OG 2.95Å; D1086-S1090 VanDerWaalsContact O-OG 3.12Å; D1086-Y1158 PolarHBondContact O-OH 3.08Å; D1086-V1208 HydrophobicContact CB-CG2 4.21Å |
| 1087 | D | 80.5 | Confident | 82.9 | Confident | 17.2 Ų | 17.2 | 39.4 Ų | 39.4 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 177.4 | -82.5 | -36.3 | 0 | 0 | 0 | 110.7 | F966 Y974 Y1084 T1089 S1090 L1091 V1208 S1209 R1211 | F966-D1087 HydrophobicContact CE1-CB 3.71Å; F966-D1087 HydrophobicContact CZ-CB 3.84Å; Y974-D1087 PolarHBondContact OH-OD1 2.77Å; Y1084-D1087 PolarHBondContact O-N 3.24Å; D1087-T1089 VanDerWaalsContact C-N 3.32Å; D1087-T1089 PolarHBondContact O-N 3.16Å; D1087-S1090 WeakPolarHBondContact CA-OG 3.34Å; D1087-S1090 WeakPolarHBondContact O-CB 3.5Å; D1087-S1090 PolarHBondContact O-N 3.15Å; D1087-S1090 VanDerWaalsContact O-N 3.15Å; D1087-S1090 PolarHBondContact O-OG 3.3Å; D1087-L1091 WeakPolarHBondContact O-CB 3.35Å; D1087-L1091 WeakPolarHBondContact O-CD1 3.38Å; D1087-L1091 VanDerWaalsContact O-CG 3.3Å; D1087-L1091 WeakPolarHBondContact O-CG 3.41Å; D1087-L1091 PolarHBondContact O-N 3.17Å; D1087-V1208 WeakPolarHBondContact OD1-CB 3.1Å; D1087-V1208 VanDerWaalsContact OD1-CG2 3.26Å; D1087-V1208 WeakPolarHBondContact OD1-CG2 3.37Å; D1087-S1209 WeakPolarHBondContact OD1-CB 3.32Å; D1087-S1209 PolarHBondContact OD1-OG 2.72Å; D1087-R1211 IonicContact OD1-NE 3.86Å; D1087-R1211 IonicContact OD2-CZ 3.29Å; D1087-R1211 IonicContact OD2-NE 3.23Å; D1087-R1211 PolarHBondContact OD2-NE 3.06Å; D1087-R1211 IonicContact OD2-NH2 3.02Å; D1087-R1211 PolarHBondContact OD2-NH2 3.27Å |
| 1088 | T | 86.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | F966 L1073 Y1076 L1077 Y1084 D1086 S1090 L1091 L1092 | F966-T1088 VanDerWaalsContact CE2-OG1 3.28Å; F966-T1088 WeakPolarHBondContact CE2-OG1 3.35Å; F966-T1088 VanDerWaalsContact CZ-OG1 3.3Å; F966-T1088 WeakPolarHBondContact CZ-OG1 3.36Å; L1073-T1088 HydrophobicContact CB-CG2 4.24Å; L1073-T1088 HydrophobicContact CD2-CG2 4.29Å; L1073-T1088 VanDerWaalsContact O-CG2 3.26Å; L1073-T1088 WeakPolarHBondContact O-CG2 3.44Å; Y1076-T1088 WeakPolarHBondContact CB-OG1 3.33Å; L1077-T1088 HydrophobicContact CD1-CG2 4.45Å; L1077-T1088 HydrophobicContact CD2-CG2 4.12Å; L1077-T1088 HydrophobicContact CG-CG2 3.95Å; Y1084-T1088 VanDerWaalsContact O-CB 3.25Å; Y1084-T1088 WeakPolarHBondContact O-CB 3.33Å; Y1084-T1088 PolarHBondContact O-N 3.05Å; Y1084-T1088 PolarHBondContact O-OG1 3.23Å; D1086-T1088 VanDerWaalsContact C-N 3.31Å; D1086-T1088 PolarHBondContact O-N 2.98Å; T1088-S1090 VanDerWaalsContact C-N 3.33Å; T1088-S1090 PolarHBondContact O-N 3.1Å; T1088-L1091 PolarHBondContact O-N 3.11Å; T1088-L1092 VanDerWaalsContact O-CB 3.28Å; T1088-L1092 WeakPolarHBondContact O-CB 3.34Å; T1088-L1092 PolarHBondContact O-N 2.95Å |
| 1089 | T | 85.1 | Confident | 81.6 | Confident | 0.2 Ų | 0.2 | 40 Ų | 40 | 0% | 0.001 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 175.1 | -66 | 0 | 0 | 0 | 0 | 111.1 | H1085 D1086 D1087 L1091 L1092 V1093 L1151 L1154 L1155 Y1158 | H1085-T1089 VanDerWaalsContact O-CB 3.26Å; H1085-T1089 WeakPolarHBondContact O-CB 3.39Å; H1085-T1089 PolarHBondContact O-N 3.13Å; H1085-T1089 PolarHBondContact O-OG1 3.18Å; D1086-T1089 WeakPolarHBondContact O-CB 3.44Å; D1086-T1089 PolarHBondContact O-N 3.27Å; D1087-T1089 VanDerWaalsContact C-N 3.32Å; D1087-T1089 PolarHBondContact O-N 3.16Å; T1089-L1091 VanDerWaalsContact C-N 3.31Å; T1089-L1091 PolarHBondContact O-N 3.05Å; T1089-L1092 PolarHBondContact O-N 3.11Å; T1089-V1093 HydrophobicContact CG2-CG2 4.23Å; T1089-V1093 WeakPolarHBondContact O-CB 3.31Å; T1089-V1093 VanDerWaalsContact O-CG2 3.31Å; T1089-V1093 WeakPolarHBondContact O-CG2 3.38Å; T1089-V1093 PolarHBondContact O-N 3.05Å; T1089-V1093 VanDerWaalsContact O-N 3.12Å; T1089-L1151 HydrophobicContact CG2-CD1 3.75Å; T1089-L1154 HydrophobicContact CG2-CB 4.05Å; T1089-L1154 VanDerWaalsContact OG1-CD1 3.31Å; T1089-L1154 WeakPolarHBondContact OG1-CD1 3.41Å; T1089-L1155 HydrophobicContact CG2-CD2 3.76Å; T1089-L1155 HydrophobicContact CG2-CG 4.31Å; T1089-Y1158 HydrophobicContact CG2-CD2 4.3Å; T1089-Y1158 HydrophobicContact CG2-CE2 4.01Å |
| 1090 | S | 80.6 | Confident | 80.9 | Confident | 5.6 Ų | 5.6 | 36.1 Ų | 36.1 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 177.9 | 147.3 | 0 | 0 | 0 | 0 | 112.8 | Y974 D1086 D1087 T1088 V1093 R1094 Y1158 A1206 | Y974-S1090 PolarHBondContact OH-OG 3.17Å; Y974-S1090 VanDerWaalsContact OH-OG 3.1Å; D1086-S1090 WeakPolarHBondContact O-CB 3.32Å; D1086-S1090 PolarHBondContact O-N 2.93Å; D1086-S1090 VanDerWaalsContact O-N 3.1Å; D1086-S1090 PolarHBondContact O-OG 2.95Å; D1086-S1090 VanDerWaalsContact O-OG 3.12Å; D1087-S1090 WeakPolarHBondContact CA-OG 3.34Å; D1087-S1090 WeakPolarHBondContact O-CB 3.5Å; D1087-S1090 PolarHBondContact O-N 3.15Å; D1087-S1090 VanDerWaalsContact O-N 3.15Å; D1087-S1090 PolarHBondContact O-OG 3.3Å; T1088-S1090 VanDerWaalsContact C-N 3.33Å; T1088-S1090 PolarHBondContact O-N 3.1Å; S1090-V1093 PolarHBondContact O-N 3.02Å; S1090-R1094 WeakPolarHBondContact O-CG 3.25Å; S1090-R1094 PolarHBondContact O-N 3.17Å; S1090-R1094 PolarHBondContact O-NH1 3.48Å; S1090-R1094 VanDerWaalsContact O-NH1 3.14Å; S1090-R1094 VanDerWaalsContact OG-CZ 3.27Å; S1090-R1094 PolarHBondContact OG-NH1 3.46Å; S1090-R1094 PolarHBondContact OG-NH2 3.09Å; S1090-R1094 VanDerWaalsContact OG-NH2 3.13Å; S1090-Y1158 WeakPolarHBondContact CB-OH 3.35Å; S1090-Y1158 PolarHBondContact OG-OH 3.1Å; S1090-A1206 PolarHBondContact OG-O 2.81Å |
| 1091 | L | 83.7 | Confident | 79.8 | Confident | 0.2 Ų | 0.2 | 32.3 Ų | 32.3 | 0% | 0.001 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.7 | -46.1 | 178.7 | -74.9 | 166.4 | 0 | 0 | 0 | 111.9 | F966 L973 Y974 I977 L1073 D1087 T1088 T1089 V1093 R1094 L1095 | F966-L1091 HydrophobicContact CZ-CD1 4.22Å; L973-L1091 HydrophobicContact CB-CD2 4.23Å; L973-L1091 HydrophobicContact CD2-CB 4.41Å; L973-L1091 HydrophobicContact CD2-CD1 4.45Å; L973-L1091 HydrophobicContact CD2-CD2 4.12Å; L973-L1091 HydrophobicContact CG-CD2 3.98Å; Y974-L1091 HydrophobicContact CD1-CD2 3.49Å; Y974-L1091 VanDerWaalsContact CD1-CD2 3.41Å; Y974-L1091 HydrophobicContact CD1-CG 4.3Å; Y974-L1091 HydrophobicContact CD2-CD1 4.42Å; Y974-L1091 HydrophobicContact CD2-CD2 3.99Å; Y974-L1091 HydrophobicContact CD2-CG 4.38Å; Y974-L1091 HydrophobicContact CE1-CD1 4.46Å; Y974-L1091 HydrophobicContact CE1-CD2 3.35Å; Y974-L1091 VanDerWaalsContact CE1-CD2 3.5Å; Y974-L1091 HydrophobicContact CE1-CG 3.88Å; Y974-L1091 HydrophobicContact CE2-CD1 4.06Å; Y974-L1091 HydrophobicContact CE2-CD2 3.87Å; Y974-L1091 HydrophobicContact CE2-CG 3.9Å; Y974-L1091 HydrophobicContact CG-CD2 3.88Å; Y974-L1091 VanDerWaalsContact CZ-CD2 3.48Å; I977-L1091 HydrophobicContact CD1-CD2 4.17Å; L1073-L1091 HydrophobicContact CD1-CB 3.84Å; L1073-L1091 HydrophobicContact CD2-CB 3.93Å; L1073-L1091 HydrophobicContact CD2-CD1 4.09Å; D1087-L1091 WeakPolarHBondContact O-CB 3.35Å; D1087-L1091 WeakPolarHBondContact O-CD1 3.38Å; D1087-L1091 VanDerWaalsContact O-CG 3.3Å; D1087-L1091 WeakPolarHBondContact O-CG 3.41Å; D1087-L1091 PolarHBondContact O-N 3.17Å; T1088-L1091 PolarHBondContact O-N 3.11Å; T1089-L1091 VanDerWaalsContact C-N 3.31Å; T1089-L1091 PolarHBondContact O-N 3.05Å; L1091-V1093 VanDerWaalsContact C-N 3.31Å; L1091-V1093 PolarHBondContact O-N 3.01Å; L1091-R1094 PolarHBondContact O-N 3.04Å; L1091-L1095 VanDerWaalsContact O-CB 3.28Å; L1091-L1095 WeakPolarHBondContact O-CB 3.34Å; L1091-L1095 PolarHBondContact O-N 3.14Å |
| 1092 | L | 86.1 | Confident | 78.5 | Confident | 0.6 Ų | 0.6 | 32.1 Ų | 32.1 | 0% | 0.003 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | -178.3 | -166.6 | 84.9 | 0 | 0 | 0 | 111.5 | L1073 W1074 L1077 T1088 T1089 L1095 H1096 I1125 I1129 L1151 F1240 | L1073-L1092 HydrophobicContact CB-CB 4.42Å; L1073-L1092 HydrophobicContact CB-CD1 4.02Å; L1073-L1092 HydrophobicContact CB-CG 4.28Å; L1073-L1092 HydrophobicContact CD1-CB 4.05Å; L1073-L1092 HydrophobicContact CD1-CD1 4.21Å; L1073-L1092 HydrophobicContact CD1-CG 4.18Å; W1074-L1092 HydrophobicContact CE3-CD1 4.18Å; W1074-L1092 HydrophobicContact CE3-CD2 4.17Å; W1074-L1092 HydrophobicContact CZ3-CD2 4.49Å; L1077-L1092 HydrophobicContact CD1-CD1 3.8Å; L1077-L1092 HydrophobicContact CD1-CD2 3.99Å; T1088-L1092 VanDerWaalsContact O-CB 3.28Å; T1088-L1092 WeakPolarHBondContact O-CB 3.34Å; T1088-L1092 PolarHBondContact O-N 2.95Å; T1089-L1092 PolarHBondContact O-N 3.11Å; L1092-L1095 PolarHBondContact O-N 3.31Å; L1092-H1096 VanDerWaalsContact O-CB 3.27Å; L1092-H1096 WeakPolarHBondContact O-CB 3.37Å; L1092-H1096 PolarHBondContact O-N 3.22Å; L1092-I1125 HydrophobicContact CD1-CG2 3.82Å; L1092-I1125 HydrophobicContact CD2-CG2 3.56Å; L1092-I1125 HydrophobicContact CG-CG2 4.44Å; L1092-I1129 HydrophobicContact CD2-CD1 4.3Å; L1092-L1151 HydrophobicContact CD2-CD1 4.08Å; L1092-L1151 HydrophobicContact CD2-CD2 3.86Å; L1092-L1151 HydrophobicContact CD2-CG 4.46Å; L1092-F1240 HydrophobicContact CD2-CE1 4.34Å; L1092-F1240 HydrophobicContact CD2-CZ 4.02Å |
| 1093 | V | 81.6 | Confident | 76.9 | Confident | 19.4 Ų | 19.4 | 32.1 Ų | 32.1 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65 | -47.4 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | T1089 S1090 L1091 L1095 H1096 Q1097 L1155 I1238 | T1089-V1093 HydrophobicContact CG2-CG2 4.23Å; T1089-V1093 WeakPolarHBondContact O-CB 3.31Å; T1089-V1093 VanDerWaalsContact O-CG2 3.31Å; T1089-V1093 WeakPolarHBondContact O-CG2 3.38Å; T1089-V1093 PolarHBondContact O-N 3.05Å; T1089-V1093 VanDerWaalsContact O-N 3.12Å; S1090-V1093 PolarHBondContact O-N 3.02Å; L1091-V1093 VanDerWaalsContact C-N 3.31Å; L1091-V1093 PolarHBondContact O-N 3.01Å; V1093-L1095 VanDerWaalsContact C-N 3.32Å; V1093-L1095 PolarHBondContact O-N 3.04Å; V1093-H1096 WeakPolarHBondContact O-CB 3.48Å; V1093-H1096 PolarHBondContact O-N 3.37Å; V1093-H1096 VanDerWaalsContact O-N 3.14Å; V1093-Q1097 HydrophobicContact CG1-CG 4.42Å; V1093-Q1097 WeakPolarHBondContact O-CG 3.38Å; V1093-Q1097 PolarHBondContact O-N 3.28Å; V1093-L1155 HydrophobicContact CG1-CD2 4.38Å; V1093-L1155 HydrophobicContact CG2-CD1 4.5Å; V1093-L1155 HydrophobicContact CG2-CD2 3.35Å; V1093-L1155 HydrophobicContact CG2-CG 4.31Å; V1093-I1238 HydrophobicContact CG1-CD1 3.28Å; V1093-I1238 HydrophobicContact CG1-CG2 4.14Å |
| 1094 | R | 77.9 | Confident | 74.9 | Confident | 33.2 Ų | 33.2 | 34.6 Ų | 34.6 | 13% | 0.125 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 178 | -73.6 | -175.6 | -163.4 | 178 | 4.8 | 112 | Y974 I977 E978 S1090 L1091 H1096 Q1097 L1098 I1205 A1206 | Y974-R1094 VanDerWaalsContact CE1-CZ 3.47Å; I977-R1094 HydrophobicContact CD1-CB 4.3Å; I977-R1094 HydrophobicContact CG2-CB 4.27Å; E978-R1094 IonicContact OE1-CZ 2.61Å; E978-R1094 IonicContact OE1-NH1 3.27Å; E978-R1094 PolarHBondContact OE1-NH1 3.09Å; E978-R1094 IonicContact OE1-NH2 3.16Å; E978-R1094 PolarHBondContact OE1-NH2 2.99Å; S1090-R1094 WeakPolarHBondContact O-CG 3.25Å; S1090-R1094 PolarHBondContact O-N 3.17Å; S1090-R1094 PolarHBondContact O-NH1 3.48Å; S1090-R1094 VanDerWaalsContact O-NH1 3.14Å; S1090-R1094 VanDerWaalsContact OG-CZ 3.27Å; S1090-R1094 PolarHBondContact OG-NH1 3.46Å; S1090-R1094 PolarHBondContact OG-NH2 3.09Å; S1090-R1094 VanDerWaalsContact OG-NH2 3.13Å; L1091-R1094 PolarHBondContact O-N 3.04Å; R1094-H1096 VanDerWaalsContact C-N 3.31Å; R1094-H1096 PolarHBondContact O-N 3.39Å; R1094-Q1097 PolarHBondContact O-N 3.29Å; R1094-L1098 VanDerWaalsContact O-CB 3.26Å; R1094-L1098 WeakPolarHBondContact O-CB 3.26Å; R1094-L1098 WeakPolarHBondContact O-CG 3.12Å; R1094-L1098 PolarHBondContact O-N 3.19Å; R1094-L1098 VanDerWaalsContact O-N 3.09Å; R1094-I1205 VanDerWaalsContact CZ-CG2 3.48Å; R1094-I1205 VanDerWaalsContact NE-CG2 3.29Å; R1094-I1205 VanDerWaalsContact NH1-CD1 3.28Å; R1094-A1206 VanDerWaalsContact NH2-C 3.35Å; R1094-A1206 PolarHBondContact NH2-O 3.15Å |
| 1095 | L | 84.4 | Confident | 72.8 | Confident | 0.4 Ų | 0.4 | 35.6 Ų | 35.6 | 0% | 0.002 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 174.8 | -166.5 | 76.2 | 0 | 0 | 0 | 111.3 | L973 I977 F1066 L1069 L1073 L1091 L1092 V1093 Q1097 L1098 A1099 I1125 | L973-L1095 HydrophobicContact CD1-CD1 4.41Å; I977-L1095 HydrophobicContact CD1-CB 4.41Å; I977-L1095 HydrophobicContact CD1-CD1 4.36Å; I977-L1095 HydrophobicContact CG1-CD1 4.35Å; F1066-L1095 HydrophobicContact CD1-CD1 3.95Å; F1066-L1095 HydrophobicContact CD1-CG 4.33Å; F1066-L1095 HydrophobicContact CE1-CD1 4.18Å; L1069-L1095 HydrophobicContact CB-CD1 4.24Å; L1069-L1095 HydrophobicContact CB-CD2 3.55Å; L1069-L1095 VanDerWaalsContact CB-CD2 3.45Å; L1069-L1095 HydrophobicContact CB-CG 4.43Å; L1069-L1095 HydrophobicContact CD1-CD1 3.92Å; L1073-L1095 HydrophobicContact CD1-CD2 4.23Å; L1091-L1095 VanDerWaalsContact O-CB 3.28Å; L1091-L1095 WeakPolarHBondContact O-CB 3.34Å; L1091-L1095 PolarHBondContact O-N 3.14Å; L1092-L1095 PolarHBondContact O-N 3.31Å; V1093-L1095 VanDerWaalsContact C-N 3.32Å; V1093-L1095 PolarHBondContact O-N 3.04Å; L1095-Q1097 VanDerWaalsContact C-N 3.35Å; L1095-Q1097 PolarHBondContact O-N 3.45Å; L1095-L1098 PolarHBondContact O-N 3.23Å; L1095-A1099 WeakPolarHBondContact O-CB 3.38Å; L1095-A1099 PolarHBondContact O-N 3.27Å; L1095-A1099 VanDerWaalsContact O-N 3.13Å; L1095-I1125 HydrophobicContact CB-CD1 4.07Å; L1095-I1125 HydrophobicContact CD2-CD1 3.62Å; L1095-I1125 HydrophobicContact CD2-CG1 4.3Å; L1095-I1125 HydrophobicContact CG-CD1 3.58Å; L1095-I1125 WeakPolarHBondContact O-CD1 3.46Å |
| 1096 | H | 80 | Confident | 70.6 | Confident | 6.4 Ų | 6.4 | 37.6 Ų | 37.6 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | 174.3 | -175.4 | -14.9 | 0 | 0 | 0 | 112.9 | L1092 V1093 R1094 L1098 A1099 S1123 I1125 E1126 I1238 P1239 F1240 | L1092-H1096 VanDerWaalsContact O-CB 3.27Å; L1092-H1096 WeakPolarHBondContact O-CB 3.37Å; L1092-H1096 PolarHBondContact O-N 3.22Å; V1093-H1096 WeakPolarHBondContact O-CB 3.48Å; V1093-H1096 PolarHBondContact O-N 3.37Å; V1093-H1096 VanDerWaalsContact O-N 3.14Å; R1094-H1096 VanDerWaalsContact C-N 3.31Å; R1094-H1096 PolarHBondContact O-N 3.39Å; H1096-L1098 VanDerWaalsContact C-N 3.34Å; H1096-L1098 PolarHBondContact O-N 3.49Å; H1096-A1099 PolarHBondContact O-N 3.12Å; H1096-S1123 PolarHBondContact CD2-OG 3.11Å; H1096-S1123 WeakPolarHBondContact CE1-CB 3.39Å; H1096-S1123 PolarHBondContact CE1-OG 3.24Å; H1096-S1123 WeakPolarHBondContact ND1-CB 3.17Å; H1096-S1123 PolarHBondContact ND1-OG 2.95Å; H1096-S1123 PolarHBondContact NE2-OG 3.04Å; H1096-S1123 PolarHBondContact O-OG 2.64Å; H1096-I1125 HydrophobicContact CB-CD1 4.41Å; H1096-I1125 HydrophobicContact CB-CG2 4.47Å; H1096-E1126 VanDerWaalsContact CE1-CB 3.48Å; H1096-E1126 WeakPolarHBondContact CE1-CB 3.34Å; H1096-I1238 PolarHBondContact CE1-O 3Å; H1096-I1238 PolarHBondContact ND1-O 3.39Å; H1096-P1239 HydrophobicContact CB-CG 4.48Å; H1096-P1239 VanDerWaalsContact CE1-CB 3.46Å; H1096-P1239 WeakPolarHBondContact CE1-CB 3.31Å; H1096-P1239 WeakPolarHBondContact CE1-CG 3.43Å; H1096-P1239 PolarHBondContact CE1-O 3.43Å; H1096-P1239 WeakPolarHBondContact ND1-CG 3.36Å; H1096-P1239 WeakPolarHBondContact NE2-CG 3.3Å; H1096-P1239 PolarHBondContact NE2-O 2.91Å; H1096-F1240 HydrophobicContact CB-CE1 4.49Å; H1096-F1240 HydrophobicContact CB-CZ 4.19Å; H1096-F1240 AromaticContact CD2-CD1 3.91Å; H1096-F1240 AromaticContact CD2-CE1 3.37Å; H1096-F1240 WeakPolarHBondContact CD2-CE1 3.34Å; H1096-F1240 AromaticContact CD2-CZ 3.75Å; H1096-F1240 AromaticContact CE1-CE1 3.83Å; H1096-F1240 AromaticContact CG-CE1 3.87Å; H1096-F1240 AromaticContact CG-CZ 3.78Å; H1096-F1240 AromaticContact ND1-CE1 3.71Å; H1096-F1240 AromaticContact NE2-CD1 3.83Å; H1096-F1240 AromaticContact NE2-CE1 3.73Å |
| 1097 | Q | 75.6 | Confident | 68.3 | Low | 62 Ų | 62 | 35.5 Ų | 35.5 | 29% | 0.29 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.6 | -28.3 | 176.7 | -71.5 | 171.3 | -38.1 | 0 | 0 | 113 | V1093 R1094 L1095 D1237 I1238 | V1093-Q1097 HydrophobicContact CG1-CG 4.42Å; V1093-Q1097 WeakPolarHBondContact O-CG 3.38Å; V1093-Q1097 PolarHBondContact O-N 3.28Å; R1094-Q1097 PolarHBondContact O-N 3.29Å; L1095-Q1097 VanDerWaalsContact C-N 3.35Å; L1095-Q1097 PolarHBondContact O-N 3.45Å; Q1097-D1237 PolarHBondContact NE2-O 3.23Å; Q1097-D1237 PolarHBondContact NE2-OD1 3.1Å; Q1097-I1238 VanDerWaalsContact CD-CD1 3.42Å; Q1097-I1238 HydrophobicContact CG-CD1 3.99Å; Q1097-I1238 HydrophobicContact CG-CG1 3.9Å; Q1097-I1238 HydrophobicContact CG-CG2 4.28Å |
| 1098 | L | 75.6 | Confident | 65.9 | Low | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -89.5 | -24.9 | -178.9 | -152.5 | 144.2 | 0 | 0 | 0 | 113.8 | I977 F980 H981 V984 W989 F1066 R1094 L1095 H1096 | I977-L1098 HydrophobicContact CB-CD1 4.42Å; I977-L1098 HydrophobicContact CB-CD2 4.46Å; I977-L1098 HydrophobicContact CG1-CD2 4.2Å; I977-L1098 HydrophobicContact CG2-CD1 4.16Å; I977-L1098 HydrophobicContact CG2-CD2 4.33Å; I977-L1098 VanDerWaalsContact O-CD1 3.23Å; I977-L1098 WeakPolarHBondContact O-CD1 3.41Å; F980-L1098 HydrophobicContact CB-CD1 3.87Å; F980-L1098 HydrophobicContact CB-CD2 3.78Å; F980-L1098 HydrophobicContact CB-CG 4.41Å; F980-L1098 HydrophobicContact CD2-CD2 3.99Å; F980-L1098 HydrophobicContact CG-CD2 4.34Å; H981-L1098 HydrophobicContact CB-CD1 4.08Å; V984-L1098 HydrophobicContact CG2-CD2 4.07Å; W989-L1098 HydrophobicContact CH2-CD2 4.43Å; W989-L1098 HydrophobicContact CZ2-CD2 3.89Å; W989-L1098 VanDerWaalsContact CZ2-O 3.3Å; W989-L1098 WeakPolarHBondContact CZ2-O 3.26Å; W989-L1098 PolarHBondContact NE1-O 3.07Å; W989-L1098 VanDerWaalsContact NE1-O 3.15Å; F1066-L1098 HydrophobicContact CE1-CB 4.44Å; F1066-L1098 HydrophobicContact CE1-CD2 3.78Å; F1066-L1098 HydrophobicContact CE1-CG 4.44Å; F1066-L1098 HydrophobicContact CZ-CD2 3.92Å; R1094-L1098 VanDerWaalsContact O-CB 3.26Å; R1094-L1098 WeakPolarHBondContact O-CB 3.26Å; R1094-L1098 WeakPolarHBondContact O-CG 3.12Å; R1094-L1098 PolarHBondContact O-N 3.19Å; R1094-L1098 VanDerWaalsContact O-N 3.09Å; L1095-L1098 PolarHBondContact O-N 3.23Å; H1096-L1098 VanDerWaalsContact C-N 3.34Å; H1096-L1098 PolarHBondContact O-N 3.49Å |
| 1099 | A | 69.8 | Low | 63.5 | Low | 10.6 Ų | 10.6 | 50 Ų | 50 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -56.2 | 137.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1066 L1095 H1096 I1125 | F1066-A1099 HydrophobicContact CD1-CB 4.21Å; F1066-A1099 HydrophobicContact CG-CB 4.49Å; L1095-A1099 WeakPolarHBondContact O-CB 3.38Å; L1095-A1099 PolarHBondContact O-N 3.27Å; L1095-A1099 VanDerWaalsContact O-N 3.13Å; H1096-A1099 PolarHBondContact O-N 3.12Å; A1099-I1125 HydrophobicContact CB-CD1 4.12Å |
| 1100 | P | 65.3 | Low | 61 | Low | 20.8 Ų | 20.8 | 56.1 Ų | 56.1 | 14% | 0.135 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 143.1 | -179 | 24.6 | -33.9 | 0 | 0 | 0 | 111.9 | W989 F1066 L1102 | W989-P1100 HydrophobicContact CB-CB 4.24Å; W989-P1100 HydrophobicContact CD2-CB 3.79Å; W989-P1100 HydrophobicContact CD2-CG 4.39Å; W989-P1100 HydrophobicContact CE3-CB 4.17Å; W989-P1100 HydrophobicContact CG-CB 3.96Å; W989-P1100 HydrophobicContact CZ2-CB 4.45Å; F1066-P1100 HydrophobicContact CD2-CG 4.2Å; F1066-P1100 HydrophobicContact CE2-CG 4.36Å; P1100-L1102 PolarHBondContact O-N 2.69Å |
| 1101 | P | 59.8 | Low | 58.7 | Low | 68.2 Ų | 68.2 | 59.7 Ų | 59.7 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 137.4 | 171.1 | 28.2 | -33.9 | 0 | 0 | 0 | 109.9 | N1120 | P1101-N1120 HydrophobicContact CB-CB 4.28Š|
| 1102 | L | 56.5 | Low | 56.1 | Low | 58.6 Ų | 58.6 | 65.3 Ų | 65.3 | 31% | 0.307 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 135 | -171.6 | -131.3 | 77.8 | 0 | 0 | 0 | 111.7 | D1028 V1030 P1100 K1104 V1106 L1110 S1122 C1124 | D1028-L1102 VanDerWaalsContact N-CD2 3.29Å; V1030-L1102 WeakPolarHBondContact CA-O 3.33Å; V1030-L1102 WeakPolarHBondContact CB-O 3.2Å; V1030-L1102 WeakPolarHBondContact CG1-O 3.35Å; V1030-L1102 VanDerWaalsContact CG2-C 3.47Å; V1030-L1102 HydrophobicContact CG2-CB 3.63Å; V1030-L1102 HydrophobicContact CG2-CD2 3.74Å; V1030-L1102 HydrophobicContact CG2-CG 3.81Å; V1030-L1102 WeakPolarHBondContact CG2-O 3.4Å; P1100-L1102 PolarHBondContact O-N 2.69Å; L1102-K1104 PolarHBondContact O-N 3.15Å; L1102-V1106 HydrophobicContact CD2-CB 4.25Å; L1102-V1106 HydrophobicContact CD2-CG1 4.16Å; L1102-L1110 HydrophobicContact CD2-CD1 4.3Å; L1102-S1122 WeakPolarHBondContact CD1-O 3.33Å; L1102-C1124 HydrophobicContact CD1-CB 4.21Å |
| 1103 | P | 49.3 | Very low | 53.5 | Low | 78.2 Ų | 78.2 | 68.5 Ų | 68.5 | 51% | 0.508 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 140.2 | -178.6 | 15.8 | -22.2 | 0 | 0 | 0 | 112.6 | V1030 S1105 V1106 A1107 | V1030-P1103 WeakPolarHBondContact CG1-O 3.15Å; P1103-S1105 VanDerWaalsContact C-N 3.31Å; P1103-S1105 PolarHBondContact O-N 3.19Å; P1103-V1106 HydrophobicContact CG-CG2 4.47Å; P1103-V1106 PolarHBondContact O-N 3.25Å; P1103-V1106 VanDerWaalsContact O-N 3.11Å; P1103-A1107 PolarHBondContact O-N 3.44Å |
| 1104 | K | 41.8 | Very low | 51.2 | Low | 162.6 Ų | 162.6 | 73.3 Ų | 73.3 | 71% | 0.707 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -27.7 | -169.9 | -69.2 | 176.5 | -178.8 | 171.3 | 0 | 115.4 | V1030 P1032 M1033 D1034 L1102 V1106 A1107 | V1030-K1104 WeakPolarHBondContact CG1-O 3.5Å; P1032-K1104 HydrophobicContact CB-CG 4.1Å; P1032-K1104 HydrophobicContact CG-CG 4.04Å; P1032-K1104 WeakPolarHBondContact O-CE 3.16Å; P1032-K1104 VanDerWaalsContact O-CG 3.23Å; P1032-K1104 WeakPolarHBondContact O-CG 3.49Å; M1033-K1104 HydrophobicContact CE-CD 4.32Å; D1034-K1104 WeakPolarHBondContact OD1-CE 3.32Å; D1034-K1104 IonicContact OD1-NZ 3.95Å; D1034-K1104 PolarHBondContact OD1-NZ 2.71Å; D1034-K1104 IonicContact OD2-NZ 3.84Å; L1102-K1104 PolarHBondContact O-N 3.15Å; K1104-V1106 VanDerWaalsContact C-N 3.3Å; K1104-V1106 PolarHBondContact O-N 2.65Å; K1104-A1107 PolarHBondContact O-N 3.13Å |
| 1105 | S | 38.9 | Very low | 48.8 | Very low | 86.8 Ų | 86.8 | 77.1 Ų | 77.1 | 61% | 0.607 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -41.1 | -178.8 | 47.2 | 0 | 0 | 0 | 0 | 113.5 | P1103 A1107 F1108 Q1109 | P1103-S1105 VanDerWaalsContact C-N 3.31Å; P1103-S1105 PolarHBondContact O-N 3.19Å; S1105-A1107 VanDerWaalsContact C-N 3.32Å; S1105-A1107 PolarHBondContact O-N 3.24Å; S1105-F1108 WeakPolarHBondContact O-CB 3.36Å; S1105-F1108 PolarHBondContact O-N 3.18Å; S1105-Q1109 PolarHBondContact O-N 3.16Å |
| 1106 | V | 40.1 | Very low | 46.3 | Very low | 62.2 Ų | 62.2 | 79.7 Ų | 79.7 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -75.4 | -29.7 | -175.8 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | K1029 V1030 L1102 P1103 K1104 F1108 Q1109 L1110 | K1029-V1106 HydrophobicContact CD-CG1 4.05Å; K1029-V1106 WeakPolarHBondContact CD-O 3.45Å; K1029-V1106 WeakPolarHBondContact CE-O 3.38Å; K1029-V1106 HydrophobicContact CG-CB 4.45Å; K1029-V1106 HydrophobicContact CG-CG1 3.74Å; K1029-V1106 WeakPolarHBondContact CG-O 3.37Å; V1030-V1106 HydrophobicContact CG2-CB 3.82Å; V1030-V1106 HydrophobicContact CG2-CG1 4.16Å; L1102-V1106 HydrophobicContact CD2-CB 4.25Å; L1102-V1106 HydrophobicContact CD2-CG1 4.16Å; P1103-V1106 HydrophobicContact CG-CG2 4.47Å; P1103-V1106 PolarHBondContact O-N 3.25Å; P1103-V1106 VanDerWaalsContact O-N 3.11Å; K1104-V1106 VanDerWaalsContact C-N 3.3Å; K1104-V1106 PolarHBondContact O-N 2.65Å; V1106-F1108 PolarHBondContact O-N 3.13Å; V1106-F1108 VanDerWaalsContact O-N 3.11Å; V1106-Q1109 WeakPolarHBondContact O-CB 3.36Å; V1106-Q1109 PolarHBondContact O-N 3.36Å; V1106-Q1109 VanDerWaalsContact O-N 3.1Å; V1106-L1110 HydrophobicContact CG1-CD1 4.13Å; V1106-L1110 HydrophobicContact CG1-CG 4.4Å; V1106-L1110 PolarHBondContact O-N 3.16Å; V1106-L1110 VanDerWaalsContact O-N 3.16Å |
| 1107 | A | 34.8 | Very low | 44 | Very low | 39.8 Ų | 39.8 | 85.2 Ų | 85.2 | 33% | 0.329 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -58.6 | -28.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1030 V1031 P1103 K1104 S1105 Q1109 L1110 T1111 | V1030-A1107 HydrophobicContact CB-CB 3.52Å; V1030-A1107 HydrophobicContact CG1-CB 3.37Å; V1031-A1107 HydrophobicContact CB-CB 4.39Å; V1031-A1107 HydrophobicContact CG2-CB 3.25Å; P1103-A1107 PolarHBondContact O-N 3.44Å; K1104-A1107 PolarHBondContact O-N 3.13Å; S1105-A1107 VanDerWaalsContact C-N 3.32Å; S1105-A1107 PolarHBondContact O-N 3.24Å; A1107-Q1109 PolarHBondContact O-N 3.05Å; A1107-L1110 PolarHBondContact O-N 2.94Å; A1107-L1110 VanDerWaalsContact O-N 3.13Å; A1107-T1111 PolarHBondContact O-N 2.99Å; A1107-T1111 PolarHBondContact O-OG1 2.93Å |
| 1108 | F | 31 | Very low | 41.9 | Very low | 161.6 Ų | 161.6 | 86.3 Ų | 86.3 | 71% | 0.709 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -77.7 | -18.6 | -178.6 | -121.2 | -90 | 0 | 0 | 0 | 113.7 | S1105 V1106 | S1105-F1108 WeakPolarHBondContact O-CB 3.36Å; S1105-F1108 PolarHBondContact O-N 3.18Å; V1106-F1108 PolarHBondContact O-N 3.13Å; V1106-F1108 VanDerWaalsContact O-N 3.11Å |
| 1109 | Q | 35 | Very low | 40.2 | Very low | 158.6 Ų | 158.6 | 88.4 Ų | 88.4 | 74% | 0.741 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -91.3 | -14.3 | -177.1 | -67.2 | -178.2 | -33.9 | 0 | 0 | 113.9 | K1029 S1105 V1106 A1107 | K1029-Q1109 PolarHBondContact NZ-O 3.12Å; S1105-Q1109 PolarHBondContact O-N 3.16Å; V1106-Q1109 WeakPolarHBondContact O-CB 3.36Å; V1106-Q1109 PolarHBondContact O-N 3.36Å; V1106-Q1109 VanDerWaalsContact O-N 3.1Å; A1107-Q1109 PolarHBondContact O-N 3.05Å |
| 1110 | L | 33.9 | Very low | 39 | Very low | 129 Ų | 129 | 93.5 Ų | 93.5 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -101.4 | -6.5 | 173.7 | -72.4 | 175.4 | 0 | 0 | 0 | 113 | D1028 K1029 L1102 V1106 A1107 | D1028-L1110 HydrophobicContact CB-CD1 3.85Å; D1028-L1110 WeakPolarHBondContact OD2-CD1 3.27Å; K1029-L1110 HydrophobicContact CD-CB 3.58Å; K1029-L1110 HydrophobicContact CD-CD1 4.16Å; K1029-L1110 HydrophobicContact CD-CG 3.67Å; L1102-L1110 HydrophobicContact CD2-CD1 4.3Å; V1106-L1110 HydrophobicContact CG1-CD1 4.13Å; V1106-L1110 HydrophobicContact CG1-CG 4.4Å; V1106-L1110 PolarHBondContact O-N 3.16Å; V1106-L1110 VanDerWaalsContact O-N 3.16Å; A1107-L1110 PolarHBondContact O-N 2.94Å; A1107-L1110 VanDerWaalsContact O-N 3.13Å |
| 1111 | T | 32.7 | Very low | 38.3 | Very low | 81.2 Ų | 81.2 | 96.3 Ų | 96.3 | 50% | 0.498 | 57% | 0.565 | S | S | . | * | trans | -151.3 | 87.1 | 178.9 | 43.7 | 0 | 0 | 0 | 0 | 113.5 | A1107 G1113 L1114 | A1107-T1111 PolarHBondContact O-N 2.99Å; A1107-T1111 PolarHBondContact O-OG1 2.93Å; T1111-G1113 PolarHBondContact O-N 3.22Å; T1111-G1113 VanDerWaalsContact O-N 3.09Å; T1111-L1114 HydrophobicContact CG2-CD1 4.19Å | ||
| 1112 | P | 27.6 | Very low | 38.1 | Very low | 118.4 Ų | 118.4 | 94 Ų | 94 | 77% | 0.769 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 99.6 | 171.4 | 29.8 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 1113 | G | 32.7 | Very low | 38.7 | Very low | 67.6 Ų | 67.6 | 91.5 Ų | 91.5 | 70% | 0.697 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.9 | -10.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T1111 S1115 | T1111-G1113 PolarHBondContact O-N 3.22Å; T1111-G1113 VanDerWaalsContact O-N 3.09Å; G1113-S1115 VanDerWaalsContact C-N 3.35Å; G1113-S1115 PolarHBondContact O-N 3.08Å; G1113-S1115 VanDerWaalsContact O-N 3.09Å |
| 1114 | L | 33.5 | Very low | 39.9 | Very low | 119.8 Ų | 119.8 | 89.1 Ų | 89.1 | 63% | 0.627 | 52% | 0.523 | S | S | * | . | trans | -90.9 | 59.6 | -176.3 | -76.8 | 129.4 | 0 | 0 | 0 | 113.7 | T1111 G1116 F1117 | T1111-L1114 HydrophobicContact CG2-CD1 4.19Å; L1114-G1116 VanDerWaalsContact C-N 3.3Å; L1114-G1116 PolarHBondContact O-N 3.26Å; L1114-F1117 HydrophobicContact CD2-CD2 4.19Å; L1114-F1117 HydrophobicContact CD2-CE2 3.95Å | ||
| 1115 | S | 26.8 | Very low | 41.8 | Very low | 112.6 Ų | 112.6 | 81.4 Ų | 81.4 | 79% | 0.787 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 93.8 | 168.9 | 57 | 0 | 0 | 0 | 0 | 111.4 | G1113 M1461 | G1113-S1115 VanDerWaalsContact C-N 3.35Å; G1113-S1115 PolarHBondContact O-N 3.08Å; G1113-S1115 VanDerWaalsContact O-N 3.09Å; S1115-M1461 WeakPolarHBondContact OG-CE 3.39Å |
| 1116 | G | 30.6 | Very low | 44 | Very low | 55.6 Ų | 55.6 | 77.3 Ų | 77.3 | 57% | 0.573 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 172.5 | -10.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | L1114 P1118 | L1114-G1116 VanDerWaalsContact C-N 3.3Å; L1114-G1116 PolarHBondContact O-N 3.26Å; G1116-P1118 WeakPolarHBondContact O-CD 3.3Å |
| 1117 | F | 32 | Very low | 46 | Very low | 121.6 Ų | 121.6 | 75.7 Ų | 75.7 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | trans | -106.1 | 124.3 | 178.7 | -76.6 | -81.5 | 0 | 0 | 0 | 112.3 | L1114 S1119 | L1114-F1117 HydrophobicContact CD2-CD2 4.19Å; L1114-F1117 HydrophobicContact CD2-CE2 3.95Å; F1117-S1119 PolarHBondContact O-N 3.21Å; F1117-S1119 VanDerWaalsContact O-N 3.11Å | ||
| 1118 | P | 32.7 | Very low | 48.5 | Very low | 86.2 Ų | 86.2 | 75.4 Ų | 75.4 | 56% | 0.56 | 45% | 0.448 | S | S | * | . | trans | -72.9 | 109.6 | 172 | 30.7 | -34.2 | 0 | 0 | 0 | 110.4 | G1116 N1120 I1121 | G1116-P1118 WeakPolarHBondContact O-CD 3.3Å; P1118-N1120 WeakPolarHBondContact CB-OD1 3.38Å; P1118-N1120 PolarHBondContact O-N 3.27Å; P1118-I1121 HydrophobicContact CG-CD1 3.9Å; P1118-I1121 HydrophobicContact CG-CG1 4.44Å | ||
| 1119 | S | 39.6 | Very low | 51.2 | Low | 56 Ų | 56 | 67.8 Ų | 67.8 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | trans | -80.3 | 40.9 | -176.2 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | K1029 V1030 F1117 I1121 | K1029-S1119 WeakPolarHBondContact O-CB 3.28Å; K1029-S1119 PolarHBondContact O-OG 3.2Å; K1029-S1119 VanDerWaalsContact O-OG 3.1Å; V1030-S1119 PolarHBondContact N-OG 2.92Å; V1030-S1119 VanDerWaalsContact N-OG 3.15Å; V1030-S1119 WeakPolarHBondContact O-CB 3.46Å; V1030-S1119 PolarHBondContact O-OG 2.9Å; F1117-S1119 PolarHBondContact O-N 3.21Å; F1117-S1119 VanDerWaalsContact O-N 3.11Å; S1119-I1121 PolarHBondContact O-N 3.13Å | ||
| 1120 | N | 45 | Very low | 53.6 | Low | 118.4 Ų | 118.4 | 61.2 Ų | 61.2 | 63% | 0.633 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 14.4 | -168.6 | -64 | 1.6 | 0 | 0 | 0 | 114.5 | P1101 P1118 | P1101-N1120 HydrophobicContact CB-CB 4.28Å; P1118-N1120 WeakPolarHBondContact CB-OD1 3.38Å; P1118-N1120 PolarHBondContact O-N 3.27Å |
| 1121 | I | 50.9 | Low | 56.2 | Low | 78.6 Ų | 78.6 | 57.6 Ų | 57.6 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -112.5 | -2.2 | -167.9 | -51 | 179 | 0 | 0 | 0 | 112.5 | P1118 S1119 S1123 I1238 P1239 Y1241 | P1118-I1121 HydrophobicContact CG-CD1 3.9Å; P1118-I1121 HydrophobicContact CG-CG1 4.44Å; S1119-I1121 PolarHBondContact O-N 3.13Å; I1121-S1123 PolarHBondContact O-N 3.13Å; I1121-I1238 WeakPolarHBondContact O-CG2 3.17Å; I1121-P1239 HydrophobicContact CG2-CB 3.94Å; I1121-P1239 HydrophobicContact CG2-CG 3.75Å; I1121-P1239 VanDerWaalsContact O-CG 3.27Å; I1121-P1239 WeakPolarHBondContact O-CG 3.41Å; I1121-Y1241 HydrophobicContact CG2-CD2 4.19Å |
| 1122 | S | 54 | Low | 58.8 | Low | 20 Ų | 20 | 55.9 Ų | 55.9 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | trans | -119.1 | 123 | 174.6 | 144.1 | 0 | 0 | 0 | 0 | 111.1 | G1027 L1102 E1126 R1242 | G1027-S1122 WeakPolarHBondContact O-CB 3.37Å; G1027-S1122 PolarHBondContact O-OG 3.42Å; L1102-S1122 WeakPolarHBondContact CD1-O 3.33Å; S1122-E1126 WeakPolarHBondContact CA-OE2 3.43Å; S1122-E1126 WeakPolarHBondContact CB-OE2 3.31Å; S1122-E1126 PolarHBondContact OG-OE2 3.35Å; S1122-R1242 VanDerWaalsContact CB-CZ 3.47Å; S1122-R1242 WeakPolarHBondContact OG-CD 3.47Å; S1122-R1242 PolarHBondContact OG-NH1 3.26Å; S1122-R1242 PolarHBondContact OG-NH2 3.15Å; S1122-R1242 VanDerWaalsContact OG-NH2 3.1Å | ||
| 1123 | S | 69.3 | Low | 61.6 | Low | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | trans | -88.8 | 162.6 | 174.7 | 80.3 | 0 | 0 | 0 | 0 | 111.7 | H1096 I1121 I1125 E1126 G1127 | H1096-S1123 PolarHBondContact CD2-OG 3.11Å; H1096-S1123 WeakPolarHBondContact CE1-CB 3.39Å; H1096-S1123 PolarHBondContact CE1-OG 3.24Å; H1096-S1123 WeakPolarHBondContact ND1-CB 3.17Å; H1096-S1123 PolarHBondContact ND1-OG 2.95Å; H1096-S1123 PolarHBondContact NE2-OG 3.04Å; H1096-S1123 PolarHBondContact O-OG 2.64Å; I1121-S1123 PolarHBondContact O-N 3.13Å; S1123-I1125 PolarHBondContact O-N 3.07Å; S1123-I1125 VanDerWaalsContact O-N 3.15Å; S1123-I1125 PolarHBondContact OG-N 3.15Å; S1123-E1126 PolarHBondContact O-N 3.07Å; S1123-E1126 VanDerWaalsContact O-N 3.09Å; S1123-E1126 PolarHBondContact OG-N 3.26Å; S1123-E1126 VanDerWaalsContact OG-N 3.09Å; S1123-G1127 PolarHBondContact O-N 3Å; S1123-G1127 VanDerWaalsContact O-N 3.09Å | ||
| 1124 | C | 76 | Confident | 64.2 | Low | 27.8 Ų | 27.8 | 51.7 Ų | 51.7 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.9 | -20.4 | 172.1 | 42.9 | 0 | 0 | 0 | 0 | 113.5 | F1066 T1067 L1102 G1127 F1128 | F1066-C1124 VanDerWaalsContact CB-SG 3.52Å; F1066-C1124 WeakPolarHBondContact CB-SG 3.42Å; T1067-C1124 HydrophobicContact CG2-CB 3.69Å; L1102-C1124 HydrophobicContact CD1-CB 4.21Å; C1124-G1127 PolarHBondContact O-N 3.26Å; C1124-F1128 PolarHBondContact O-N 3.13Å |
| 1125 | I | 81.7 | Confident | 66.7 | Low | 0.8 Ų | 0.8 | 47.1 Ų | 47.1 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -81.7 | -41.5 | -179.5 | -61.1 | 154.9 | 0 | 0 | 0 | 111.1 | F1066 L1092 L1095 H1096 A1099 S1123 G1127 F1128 I1129 | F1066-I1125 WeakPolarHBondContact O-CG1 3.41Å; L1092-I1125 HydrophobicContact CD1-CG2 3.82Å; L1092-I1125 HydrophobicContact CD2-CG2 3.56Å; L1092-I1125 HydrophobicContact CG-CG2 4.44Å; L1095-I1125 HydrophobicContact CB-CD1 4.07Å; L1095-I1125 HydrophobicContact CD2-CD1 3.62Å; L1095-I1125 HydrophobicContact CD2-CG1 4.3Å; L1095-I1125 HydrophobicContact CG-CD1 3.58Å; L1095-I1125 WeakPolarHBondContact O-CD1 3.46Å; H1096-I1125 HydrophobicContact CB-CD1 4.41Å; H1096-I1125 HydrophobicContact CB-CG2 4.47Å; A1099-I1125 HydrophobicContact CB-CD1 4.12Å; S1123-I1125 PolarHBondContact O-N 3.07Å; S1123-I1125 VanDerWaalsContact O-N 3.15Å; S1123-I1125 PolarHBondContact OG-N 3.15Å; I1125-G1127 VanDerWaalsContact C-N 3.3Å; I1125-G1127 PolarHBondContact O-N 2.86Å; I1125-F1128 PolarHBondContact O-N 2.91Å; I1125-I1129 HydrophobicContact CG2-CD1 4.21Å; I1125-I1129 VanDerWaalsContact O-CG1 3.32Å; I1125-I1129 WeakPolarHBondContact O-CG1 3.23Å; I1125-I1129 PolarHBondContact O-N 3Å |
| 1126 | E | 84.4 | Confident | 69.3 | Low | 1.8 Ų | 1.8 | 47.9 Ų | 47.9 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 167.7 | -174.6 | -175.9 | -138.7 | 0 | 0 | 109.9 | H1096 S1122 S1123 F1128 I1129 L1130 P1239 F1240 Y1241 R1242 C1243 | H1096-E1126 VanDerWaalsContact CE1-CB 3.48Å; H1096-E1126 WeakPolarHBondContact CE1-CB 3.34Å; S1122-E1126 WeakPolarHBondContact CA-OE2 3.43Å; S1122-E1126 WeakPolarHBondContact CB-OE2 3.31Å; S1122-E1126 PolarHBondContact OG-OE2 3.35Å; S1123-E1126 PolarHBondContact O-N 3.07Å; S1123-E1126 VanDerWaalsContact O-N 3.09Å; S1123-E1126 PolarHBondContact OG-N 3.26Å; S1123-E1126 VanDerWaalsContact OG-N 3.09Å; E1126-F1128 VanDerWaalsContact C-N 3.3Å; E1126-F1128 PolarHBondContact O-N 2.92Å; E1126-I1129 PolarHBondContact O-N 3.22Å; E1126-I1129 VanDerWaalsContact O-N 3.15Å; E1126-L1130 HydrophobicContact CG-CD1 4.03Å; E1126-L1130 HydrophobicContact CG-CG 4.26Å; E1126-L1130 WeakPolarHBondContact O-CB 3.34Å; E1126-L1130 VanDerWaalsContact O-CG 3.24Å; E1126-L1130 WeakPolarHBondContact O-CG 3.3Å; E1126-L1130 PolarHBondContact O-N 3.28Å; E1126-P1239 VanDerWaalsContact OE1-O 3.11Å; E1126-F1240 HydrophobicContact CB-CD1 4.18Å; E1126-F1240 HydrophobicContact CB-CE1 4.26Å; E1126-F1240 HydrophobicContact CG-CD1 4.26Å; E1126-F1240 VanDerWaalsContact OE1-C 3.25Å; E1126-F1240 VanDerWaalsContact OE1-CA 3.28Å; E1126-F1240 WeakPolarHBondContact OE1-CA 3.35Å; E1126-Y1241 PolarHBondContact OE1-N 3.21Å; E1126-Y1241 VanDerWaalsContact OE1-N 3.09Å; E1126-R1242 HydrophobicContact CG-CB 4.44Å; E1126-R1242 WeakPolarHBondContact OE1-CA 3.27Å; E1126-R1242 VanDerWaalsContact OE1-CB 3.28Å; E1126-R1242 WeakPolarHBondContact OE1-CB 3.33Å; E1126-R1242 PolarHBondContact OE1-N 3.13Å; E1126-R1242 VanDerWaalsContact OE2-CD 3.29Å; E1126-R1242 WeakPolarHBondContact OE2-CD 3.37Å; E1126-R1242 WeakPolarHBondContact OE2-CG 3.49Å; E1126-R1242 IonicContact OE2-CZ 2.73Å; E1126-R1242 IonicContact OE2-NE 2.68Å; E1126-R1242 IonicContact OE2-NH1 3.1Å; E1126-R1242 PolarHBondContact OE2-NH1 3.07Å; E1126-C1243 PolarHBondContact OE1-N 3.18Å |
| 1127 | G | 82.3 | Confident | 71.9 | Confident | 27.4 Ų | 27.4 | 48.6 Ų | 48.6 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.7 | -43.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1123 C1124 I1125 I1129 S1131 | S1123-G1127 PolarHBondContact O-N 3Å; S1123-G1127 VanDerWaalsContact O-N 3.09Å; C1124-G1127 PolarHBondContact O-N 3.26Å; I1125-G1127 VanDerWaalsContact C-N 3.3Å; I1125-G1127 PolarHBondContact O-N 2.86Å; G1127-I1129 VanDerWaalsContact C-N 3.29Å; G1127-I1129 PolarHBondContact O-N 3.11Å; G1127-S1131 WeakPolarHBondContact O-CB 3.46Å; G1127-S1131 PolarHBondContact O-N 3.22Å |
| 1128 | F | 85.7 | Confident | 74.4 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -43 | 174.9 | 174.3 | -104.2 | 0 | 0 | 0 | 113 | T1067 V1071 W1074 C1124 I1125 E1126 L1130 S1131 Q1132 | T1067-F1128 HydrophobicContact CG2-CB 4.41Å; V1071-F1128 HydrophobicContact CB-CE1 4.25Å; V1071-F1128 HydrophobicContact CB-CE2 4.39Å; V1071-F1128 HydrophobicContact CB-CZ 4.1Å; V1071-F1128 HydrophobicContact CG1-CE1 4.46Å; V1071-F1128 HydrophobicContact CG1-CE2 4.41Å; V1071-F1128 HydrophobicContact CG1-CZ 4.12Å; V1071-F1128 HydrophobicContact CG2-CD1 4.11Å; V1071-F1128 HydrophobicContact CG2-CD2 3.84Å; V1071-F1128 HydrophobicContact CG2-CE1 3.8Å; V1071-F1128 HydrophobicContact CG2-CE2 3.51Å; V1071-F1128 VanDerWaalsContact CG2-CE2 3.44Å; V1071-F1128 HydrophobicContact CG2-CG 4.13Å; V1071-F1128 HydrophobicContact CG2-CZ 3.49Å; V1071-F1128 VanDerWaalsContact CG2-CZ 3.44Å; W1074-F1128 HydrophobicContact CB-CE1 4.03Å; W1074-F1128 AromaticContact CD1-CE1 3.87Å; W1074-F1128 AromaticContact CG-CE1 3.92Å; W1074-F1128 HydrophobicContact CG-CE1 3.98Å; C1124-F1128 PolarHBondContact O-N 3.13Å; I1125-F1128 PolarHBondContact O-N 2.91Å; E1126-F1128 VanDerWaalsContact C-N 3.3Å; E1126-F1128 PolarHBondContact O-N 2.92Å; F1128-L1130 VanDerWaalsContact C-N 3.3Å; F1128-L1130 PolarHBondContact O-N 3.08Å; F1128-S1131 WeakPolarHBondContact O-CB 3.44Å; F1128-S1131 PolarHBondContact O-N 2.96Å; F1128-S1131 VanDerWaalsContact O-N 3.12Å; F1128-S1131 PolarHBondContact O-OG 3.24Å; F1128-S1131 VanDerWaalsContact O-OG 3.13Å; F1128-Q1132 HydrophobicContact CD2-CG 4.44Å; F1128-Q1132 HydrophobicContact CE1-CG 4.12Å; F1128-Q1132 HydrophobicContact CE2-CG 4.09Å; F1128-Q1132 HydrophobicContact CZ-CG 3.83Å; F1128-Q1132 VanDerWaalsContact CZ-NE2 3.34Å; F1128-Q1132 WeakPolarHBondContact O-CG 3.25Å; F1128-Q1132 PolarHBondContact O-N 3.06Å; F1128-Q1132 VanDerWaalsContact O-N 3.11Å |
| 1129 | I | 88.4 | Confident | 77 | Confident | 0.8 Ų | 0.8 | 47.5 Ų | 47.5 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -42 | 179 | -66.3 | 166 | 0 | 0 | 0 | 110.8 | W1074 L1092 I1125 E1126 G1127 S1131 Q1132 M1133 F1148 L1151 F1240 | W1074-I1129 HydrophobicContact CD2-CG1 4.25Å; W1074-I1129 HydrophobicContact CE3-CD1 3.92Å; W1074-I1129 HydrophobicContact CE3-CG1 3.81Å; W1074-I1129 HydrophobicContact CH2-CB 4.48Å; W1074-I1129 HydrophobicContact CH2-CD1 4.4Å; W1074-I1129 HydrophobicContact CH2-CG1 4.14Å; W1074-I1129 HydrophobicContact CH2-CG2 3.67Å; W1074-I1129 HydrophobicContact CZ2-CG1 4.47Å; W1074-I1129 HydrophobicContact CZ2-CG2 4.13Å; W1074-I1129 HydrophobicContact CZ3-CD1 3.73Å; W1074-I1129 HydrophobicContact CZ3-CG1 3.77Å; W1074-I1129 HydrophobicContact CZ3-CG2 4.06Å; L1092-I1129 HydrophobicContact CD2-CD1 4.3Å; I1125-I1129 HydrophobicContact CG2-CD1 4.21Å; I1125-I1129 VanDerWaalsContact O-CG1 3.32Å; I1125-I1129 WeakPolarHBondContact O-CG1 3.23Å; I1125-I1129 PolarHBondContact O-N 3Å; E1126-I1129 PolarHBondContact O-N 3.22Å; E1126-I1129 VanDerWaalsContact O-N 3.15Å; G1127-I1129 VanDerWaalsContact C-N 3.29Å; G1127-I1129 PolarHBondContact O-N 3.11Å; I1129-S1131 VanDerWaalsContact C-N 3.33Å; I1129-S1131 PolarHBondContact O-N 3.23Å; I1129-Q1132 PolarHBondContact O-N 3.08Å; I1129-Q1132 VanDerWaalsContact O-N 3.11Å; I1129-M1133 HydrophobicContact CG2-CG 4.46Å; I1129-M1133 HydrophobicContact CG2-SD 4.07Å; I1129-M1133 WeakPolarHBondContact O-CG 3.36Å; I1129-M1133 PolarHBondContact O-N 3.11Å; I1129-F1148 HydrophobicContact CG2-CB 4.41Å; I1129-F1148 HydrophobicContact CG2-CD2 4.11Å; I1129-F1148 HydrophobicContact CG2-CG 4.37Å; I1129-L1151 HydrophobicContact CD1-CD2 4.37Å; I1129-F1240 HydrophobicContact CD1-CD1 4.36Å; I1129-F1240 HydrophobicContact CD1-CE1 3.75Å; I1129-F1240 HydrophobicContact CD1-CZ 4.43Å |
| 1130 | L | 86.6 | Confident | 79.3 | Confident | 20.6 Ų | 20.6 | 47.9 Ų | 47.9 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 170.9 | -73.1 | 169 | 0 | 0 | 0 | 112.1 | N1026 E1126 F1128 Q1132 M1133 L1134 R1242 C1243 L1246 | N1026-L1130 WeakPolarHBondContact O-CD1 3.35Å; E1126-L1130 HydrophobicContact CG-CD1 4.03Å; E1126-L1130 HydrophobicContact CG-CG 4.26Å; E1126-L1130 WeakPolarHBondContact O-CB 3.34Å; E1126-L1130 VanDerWaalsContact O-CG 3.24Å; E1126-L1130 WeakPolarHBondContact O-CG 3.3Å; E1126-L1130 PolarHBondContact O-N 3.28Å; F1128-L1130 VanDerWaalsContact C-N 3.3Å; F1128-L1130 PolarHBondContact O-N 3.08Å; L1130-Q1132 PolarHBondContact O-N 3.19Å; L1130-M1133 CarbonylContact O-C 3.45Å; L1130-M1133 PolarHBondContact O-N 3.08Å; L1130-M1133 VanDerWaalsContact O-N 3.15Å; L1130-L1134 VanDerWaalsContact O-CB 3.28Å; L1130-L1134 WeakPolarHBondContact O-CB 3.32Å; L1130-L1134 VanDerWaalsContact O-CG 3.29Å; L1130-L1134 WeakPolarHBondContact O-CG 3.31Å; L1130-L1134 PolarHBondContact O-N 3Å; L1130-R1242 HydrophobicContact CD1-CB 3.66Å; L1130-R1242 HydrophobicContact CD1-CG 4.35Å; L1130-R1242 HydrophobicContact CD2-CB 3.92Å; L1130-R1242 HydrophobicContact CG-CB 4.29Å; L1130-C1243 HydrophobicContact CD2-CB 4.43Å; L1130-L1246 HydrophobicContact CD2-CB 4.4Å; L1130-L1246 HydrophobicContact CD2-CD2 4.06Å |
| 1131 | S | 87.2 | Confident | 81.4 | Confident | 52.4 Ų | 52.4 | 43.9 Ų | 43.9 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -37.3 | 176.5 | 86.8 | 0 | 0 | 0 | 0 | 112.3 | N1023 N1024 G1127 F1128 I1129 M1133 L1134 S1135 | N1023-S1131 WeakPolarHBondContact CA-OG 3.35Å; N1023-S1131 VanDerWaalsContact CB-CA 3.45Å; N1023-S1131 VanDerWaalsContact CB-CB 3.5Å; N1023-S1131 WeakPolarHBondContact CB-O 3.26Å; N1023-S1131 WeakPolarHBondContact CB-OG 3.45Å; N1023-S1131 VanDerWaalsContact CG-C 3.45Å; N1023-S1131 PolarHBondContact ND2-O 3.29Å; N1023-S1131 WeakPolarHBondContact O-CB 3.28Å; N1023-S1131 PolarHBondContact O-OG 2.89Å; N1023-S1131 PolarHBondContact OD1-O 2.84Å; N1024-S1131 WeakPolarHBondContact O-CA 3.4Å; N1024-S1131 WeakPolarHBondContact O-CB 3.48Å; N1024-S1131 PolarHBondContact O-N 2.99Å; G1127-S1131 WeakPolarHBondContact O-CB 3.46Å; G1127-S1131 PolarHBondContact O-N 3.22Å; F1128-S1131 WeakPolarHBondContact O-CB 3.44Å; F1128-S1131 PolarHBondContact O-N 2.96Å; F1128-S1131 VanDerWaalsContact O-N 3.12Å; F1128-S1131 PolarHBondContact O-OG 3.24Å; F1128-S1131 VanDerWaalsContact O-OG 3.13Å; I1129-S1131 VanDerWaalsContact C-N 3.33Å; I1129-S1131 PolarHBondContact O-N 3.23Å; S1131-M1133 PolarHBondContact O-N 3.4Å; S1131-L1134 CarbonylContact O-C 3.58Å; S1131-L1134 PolarHBondContact O-N 3.32Å; S1131-S1135 PolarHBondContact O-N 3.06Å |
| 1132 | Q | 87.5 | Confident | 83.1 | Confident | 45.6 Ų | 45.6 | 41.7 Ų | 41.7 | 21% | 0.213 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73 | -38.6 | 174.1 | -61.4 | -98.7 | -52.1 | 0 | 0 | 112.5 | N1022 N1023 W1074 F1128 I1129 L1130 L1134 S1135 I1140 A1144 | N1022-Q1132 PolarHBondContact O-NE2 3.26Å; N1023-Q1132 WeakPolarHBondContact ND2-CA 3.47Å; W1074-Q1132 VanDerWaalsContact CD1-OE1 3.26Å; F1128-Q1132 HydrophobicContact CD2-CG 4.44Å; F1128-Q1132 HydrophobicContact CE1-CG 4.12Å; F1128-Q1132 HydrophobicContact CE2-CG 4.09Å; F1128-Q1132 HydrophobicContact CZ-CG 3.83Å; F1128-Q1132 VanDerWaalsContact CZ-NE2 3.34Å; F1128-Q1132 WeakPolarHBondContact O-CG 3.25Å; F1128-Q1132 PolarHBondContact O-N 3.06Å; F1128-Q1132 VanDerWaalsContact O-N 3.11Å; I1129-Q1132 PolarHBondContact O-N 3.08Å; I1129-Q1132 VanDerWaalsContact O-N 3.11Å; L1130-Q1132 PolarHBondContact O-N 3.19Å; Q1132-L1134 PolarHBondContact O-N 3.03Å; Q1132-S1135 VanDerWaalsContact O-CB 3.28Å; Q1132-S1135 WeakPolarHBondContact O-CB 3.35Å; Q1132-S1135 PolarHBondContact O-N 3.16Å; Q1132-S1135 VanDerWaalsContact O-N 3.16Å; Q1132-S1135 PolarHBondContact O-OG 3.14Å; Q1132-I1140 HydrophobicContact CB-CG2 4.47Å; Q1132-A1144 VanDerWaalsContact C-CB 3.49Å; Q1132-A1144 HydrophobicContact CB-CB 3.64Å; Q1132-A1144 WeakPolarHBondContact O-CB 3.31Å |
| 1133 | M | 86.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.6 | -15.8 | 174.8 | -66.3 | 178.4 | 70.8 | 0 | 0 | 114 | I1129 L1130 S1131 K1141 A1144 H1145 F1148 C1243 L1246 L1247 | I1129-M1133 HydrophobicContact CG2-CG 4.46Å; I1129-M1133 HydrophobicContact CG2-SD 4.07Å; I1129-M1133 WeakPolarHBondContact O-CG 3.36Å; I1129-M1133 PolarHBondContact O-N 3.11Å; L1130-M1133 CarbonylContact O-C 3.45Å; L1130-M1133 PolarHBondContact O-N 3.08Å; L1130-M1133 VanDerWaalsContact O-N 3.15Å; S1131-M1133 PolarHBondContact O-N 3.4Å; M1133-K1141 VanDerWaalsContact O-CE 3.31Å; M1133-K1141 WeakPolarHBondContact O-CE 3.38Å; M1133-K1141 WeakPolarHBondContact O-CG 3.33Å; M1133-A1144 HydrophobicContact CG-CB 4.02Å; M1133-H1145 PolarHBondContact O-CE1 3.03Å; M1133-H1145 VanDerWaalsContact O-CE1 3.3Å; M1133-F1148 HydrophobicContact CE-CB 4.39Å; M1133-F1148 HydrophobicContact CE-CD1 4.02Å; M1133-F1148 HydrophobicContact CE-CG 4.43Å; M1133-F1148 HydrophobicContact SD-CB 3.87Å; M1133-F1148 HydrophobicContact SD-CD1 4.03Å; M1133-F1148 HydrophobicContact SD-CG 3.91Å; M1133-C1243 HydrophobicContact SD-CB 4.14Å; M1133-L1246 HydrophobicContact CB-CD2 3.58Å; M1133-L1246 HydrophobicContact CE-CD2 4.07Å; M1133-L1246 HydrophobicContact CE-CG 4.31Å; M1133-L1246 HydrophobicContact SD-CD2 4.39Å; M1133-L1247 HydrophobicContact CE-CD2 3.65Å; M1133-L1247 HydrophobicContact CE-CG 4.03Å |
| 1134 | L | 87.3 | Confident | 85.8 | Confident | 98.6 Ų | 98.6 | 43 Ų | 43 | 52% | 0.516 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 17.6 | 176.3 | -65.5 | 173.2 | 0 | 0 | 0 | 112.7 | N1024 L1130 S1131 Q1132 L1246 | N1024-L1134 HydrophobicContact CB-CB 4.26Å; N1024-L1134 PolarHBondContact ND2-O 3.29Å; L1130-L1134 VanDerWaalsContact O-CB 3.28Å; L1130-L1134 WeakPolarHBondContact O-CB 3.32Å; L1130-L1134 VanDerWaalsContact O-CG 3.29Å; L1130-L1134 WeakPolarHBondContact O-CG 3.31Å; L1130-L1134 PolarHBondContact O-N 3Å; S1131-L1134 CarbonylContact O-C 3.58Å; S1131-L1134 PolarHBondContact O-N 3.32Å; Q1132-L1134 PolarHBondContact O-N 3.03Å; L1134-L1246 HydrophobicContact CD2-CD1 3.79Å; L1134-L1246 HydrophobicContact CD2-CD2 3.84Å; L1134-L1246 HydrophobicContact CD2-CG 4.48Å; L1134-L1246 HydrophobicContact CG-CD2 3.9Å |
| 1135 | S | 86.4 | Confident | 86.5 | Confident | 23.6 Ų | 23.6 | 41.6 Ų | 41.6 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | trans | -58.7 | 145.5 | 178.1 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | N1022 N1023 S1131 Q1132 D1137 K1141 | N1022-S1135 WeakPolarHBondContact OD1-CA 3.44Å; N1023-S1135 WeakPolarHBondContact ND2-CA 3.33Å; N1023-S1135 WeakPolarHBondContact ND2-CB 3.41Å; N1023-S1135 PolarHBondContact ND2-OG 2.87Å; N1023-S1135 WeakPolarHBondContact OD1-CA 3.49Å; N1023-S1135 PolarHBondContact OD1-N 3.37Å; S1131-S1135 PolarHBondContact O-N 3.06Å; Q1132-S1135 VanDerWaalsContact O-CB 3.28Å; Q1132-S1135 WeakPolarHBondContact O-CB 3.35Å; Q1132-S1135 PolarHBondContact O-N 3.16Å; Q1132-S1135 VanDerWaalsContact O-N 3.16Å; Q1132-S1135 PolarHBondContact O-OG 3.14Å; S1135-D1137 VanDerWaalsContact C-N 3.27Å; S1135-D1137 WeakPolarHBondContact CB-O 3.49Å; S1135-D1137 PolarHBondContact OG-N 3.33Å; S1135-D1137 VanDerWaalsContact OG-N 3.14Å; S1135-D1137 PolarHBondContact OG-O 3.13Å; S1135-K1141 WeakPolarHBondContact OG-CA 3.35Å; S1135-K1141 PolarHBondContact OG-N 3.04Å | ||
| 1136 | S | 81.6 | Confident | 87 | Confident | 128.2 Ų | 128.2 | 43.9 Ų | 43.9 | 90% | 0.897 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -71.8 | -23.8 | 166.7 | 55 | 0 | 0 | 0 | 0 | 112.8 | N1022 L1138 | N1022-S1136 PolarHBondContact ND2-OG 2.98Å; N1022-S1136 PolarHBondContact OD1-N 3.26Å; N1022-S1136 PolarHBondContact OD1-OG 2.98Å; S1136-L1138 PolarHBondContact O-N 3.05Å |
| 1137 | D | 85.6 | Confident | 87.3 | Confident | 71.4 Ų | 71.4 | 45.5 Ų | 45.5 | 38% | 0.382 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -82.3 | 121.5 | 172.6 | -178.4 | -4.3 | 0 | 0 | 0 | 110.1 | N1022 S1135 D1139 I1140 K1141 | N1022-D1137 WeakPolarHBondContact ND2-CB 3.44Å; N1022-D1137 PolarHBondContact ND2-N 3.49Å; S1135-D1137 VanDerWaalsContact C-N 3.27Å; S1135-D1137 WeakPolarHBondContact CB-O 3.49Å; S1135-D1137 PolarHBondContact OG-N 3.33Å; S1135-D1137 VanDerWaalsContact OG-N 3.14Å; S1135-D1137 PolarHBondContact OG-O 3.13Å; D1137-D1139 VanDerWaalsContact C-N 3.34Å; D1137-D1139 PolarHBondContact O-N 3.06Å; D1137-D1139 PolarHBondContact OD1-N 3.14Å; D1137-D1139 VanDerWaalsContact OD1-N 3.11Å; D1137-I1140 HydrophobicContact CB-CB 4.25Å; D1137-I1140 HydrophobicContact CB-CD1 4.08Å; D1137-I1140 HydrophobicContact CB-CG1 4.26Å; D1137-I1140 VanDerWaalsContact OD2-CD1 3.28Å; D1137-I1140 WeakPolarHBondContact OD2-CD1 3.34Å; D1137-I1140 WeakPolarHBondContact OD2-CG1 3.32Å; D1137-K1141 VanDerWaalsContact O-CB 3.28Å; D1137-K1141 WeakPolarHBondContact O-CB 3.26Å; D1137-K1141 PolarHBondContact O-N 3.13Å; D1137-K1141 VanDerWaalsContact O-N 3.13Å |
| 1138 | L | 84.6 | Confident | 87.7 | Confident | 60.4 Ų | 60.4 | 44.2 Ų | 44.2 | 32% | 0.316 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.3 | -36 | -176.1 | -178.6 | 60.6 | 0 | 0 | 0 | 112.7 | S1136 K1141 I1142 G1301 | S1136-L1138 PolarHBondContact O-N 3.05Å; L1138-K1141 WeakPolarHBondContact O-CB 3.21Å; L1138-K1141 PolarHBondContact O-N 3.25Å; L1138-I1142 HydrophobicContact CD1-CD1 3.79Å; L1138-I1142 HydrophobicContact CD1-CG1 4.01Å; L1138-I1142 HydrophobicContact CD2-CD1 4.38Å; L1138-I1142 HydrophobicContact CG-CD1 3.73Å; L1138-I1142 HydrophobicContact CG-CG1 4.35Å; L1138-I1142 WeakPolarHBondContact O-CB 3.34Å; L1138-I1142 VanDerWaalsContact O-CG1 3.29Å; L1138-I1142 WeakPolarHBondContact O-CG1 3.4Å; L1138-I1142 PolarHBondContact O-N 3.18Å; L1138-G1301 VanDerWaalsContact CD1-CA 3.41Å; L1138-G1301 VanDerWaalsContact CD2-CA 3.46Å |
| 1139 | D | 86.4 | Confident | 87.9 | Confident | 124 Ų | 124 | 43.6 Ų | 43.6 | 66% | 0.663 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70.8 | -45.2 | -177 | -74.5 | -20.9 | 0 | 0 | 0 | 110.4 | D1137 K1141 I1142 D1143 | D1137-D1139 VanDerWaalsContact C-N 3.34Å; D1137-D1139 PolarHBondContact O-N 3.06Å; D1137-D1139 PolarHBondContact OD1-N 3.14Å; D1137-D1139 VanDerWaalsContact OD1-N 3.11Å; D1139-K1141 VanDerWaalsContact C-N 3.28Å; D1139-K1141 PolarHBondContact O-N 3.05Å; D1139-I1142 PolarHBondContact O-N 3.03Å; D1139-D1143 WeakPolarHBondContact O-CB 3.41Å; D1139-D1143 PolarHBondContact O-N 3.26Å |
| 1140 | I | 87.5 | Confident | 88 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 33% | 0.333 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 170.7 | -64.6 | 176.7 | 0 | 0 | 0 | 110.5 | N1022 Q1132 D1137 D1143 A1144 | N1022-I1140 HydrophobicContact CB-CD1 4.28Å; Q1132-I1140 HydrophobicContact CB-CG2 4.47Å; D1137-I1140 HydrophobicContact CB-CB 4.25Å; D1137-I1140 HydrophobicContact CB-CD1 4.08Å; D1137-I1140 HydrophobicContact CB-CG1 4.26Å; D1137-I1140 VanDerWaalsContact OD2-CD1 3.28Å; D1137-I1140 WeakPolarHBondContact OD2-CD1 3.34Å; D1137-I1140 WeakPolarHBondContact OD2-CG1 3.32Å; I1140-D1143 PolarHBondContact O-N 2.93Å; I1140-A1144 WeakPolarHBondContact O-CB 3.29Å; I1140-A1144 PolarHBondContact O-N 3.11Å |
| 1141 | K | 89 | Confident | 88 | Confident | 33.8 Ų | 33.8 | 44.9 Ų | 44.9 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | -179.7 | -169.9 | 174.7 | -179.9 | -162.4 | 0 | 112 | M1133 S1135 D1137 L1138 D1139 H1145 L1305 | M1133-K1141 VanDerWaalsContact O-CE 3.31Å; M1133-K1141 WeakPolarHBondContact O-CE 3.38Å; M1133-K1141 WeakPolarHBondContact O-CG 3.33Å; S1135-K1141 WeakPolarHBondContact OG-CA 3.35Å; S1135-K1141 PolarHBondContact OG-N 3.04Å; D1137-K1141 VanDerWaalsContact O-CB 3.28Å; D1137-K1141 WeakPolarHBondContact O-CB 3.26Å; D1137-K1141 PolarHBondContact O-N 3.13Å; D1137-K1141 VanDerWaalsContact O-N 3.13Å; L1138-K1141 WeakPolarHBondContact O-CB 3.21Å; L1138-K1141 PolarHBondContact O-N 3.25Å; D1139-K1141 VanDerWaalsContact C-N 3.28Å; D1139-K1141 PolarHBondContact O-N 3.05Å; K1141-H1145 PolarHBondContact O-N 2.94Å; K1141-H1145 VanDerWaalsContact O-N 3.09Å; K1141-H1145 PolarHBondContact O-ND1 3.25Å; K1141-L1305 HydrophobicContact CD-CD1 3.72Å; K1141-L1305 VanDerWaalsContact CE-CD1 3.43Å; K1141-L1305 HydrophobicContact CG-CD1 4.09Å; K1141-L1305 HydrophobicContact CG-CD2 4.3Å; K1141-L1305 VanDerWaalsContact NZ-CD1 3.26Å |
| 1142 | I | 88.1 | Confident | 88 | Confident | 32.2 Ų | 32.2 | 43 Ų | 43 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -43.2 | 179.4 | -70.4 | 169.5 | 0 | 0 | 0 | 111 | L1138 D1139 H1145 S1146 I1304 L1305 Q1308 | L1138-I1142 HydrophobicContact CD1-CD1 3.79Å; L1138-I1142 HydrophobicContact CD1-CG1 4.01Å; L1138-I1142 HydrophobicContact CD2-CD1 4.38Å; L1138-I1142 HydrophobicContact CG-CD1 3.73Å; L1138-I1142 HydrophobicContact CG-CG1 4.35Å; L1138-I1142 WeakPolarHBondContact O-CB 3.34Å; L1138-I1142 VanDerWaalsContact O-CG1 3.29Å; L1138-I1142 WeakPolarHBondContact O-CG1 3.4Å; L1138-I1142 PolarHBondContact O-N 3.18Å; D1139-I1142 PolarHBondContact O-N 3.03Å; I1142-H1145 PolarHBondContact O-N 3.07Å; I1142-S1146 WeakPolarHBondContact O-CB 3.48Å; I1142-S1146 PolarHBondContact O-N 3.26Å; I1142-S1146 VanDerWaalsContact O-N 3.1Å; I1142-S1146 PolarHBondContact O-OG 3.23Å; I1142-I1304 HydrophobicContact CD1-CB 4.3Å; I1142-I1304 HydrophobicContact CD1-CD1 3.95Å; I1142-I1304 HydrophobicContact CD1-CG2 3.99Å; I1142-I1304 HydrophobicContact CG1-CG2 4.21Å; I1142-I1304 HydrophobicContact CG2-CG2 4.22Å; I1142-L1305 HydrophobicContact CB-CD2 4.48Å; I1142-L1305 HydrophobicContact CG1-CD2 3.92Å; I1142-L1305 HydrophobicContact CG1-CG 4.31Å; I1142-Q1308 PolarHBondContact O-NE2 2.96Å |
| 1143 | D | 89.6 | Confident | 87.8 | Confident | 52.2 Ų | 52.2 | 41.9 Ų | 41.9 | 28% | 0.279 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.2 | 175 | 34.5 | 0 | 0 | 0 | 111.2 | D1139 I1140 H1145 S1146 R1147 | D1139-D1143 WeakPolarHBondContact O-CB 3.41Å; D1139-D1143 PolarHBondContact O-N 3.26Å; I1140-D1143 PolarHBondContact O-N 2.93Å; D1143-H1145 VanDerWaalsContact C-N 3.31Å; D1143-H1145 PolarHBondContact O-N 3.03Å; D1143-S1146 CarbonylContact O-C 3.02Å; D1143-S1146 WeakPolarHBondContact O-CA 3.39Å; D1143-S1146 WeakPolarHBondContact O-CB 3.37Å; D1143-S1146 PolarHBondContact O-N 3.43Å; D1143-S1146 VanDerWaalsContact O-N 3.09Å; D1143-S1146 PolarHBondContact O-OG 3.21Å; D1143-R1147 VanDerWaalsContact CG-NE 3.28Å; D1143-R1147 WeakPolarHBondContact O-CG 3.37Å; D1143-R1147 PolarHBondContact O-N 3.31Å; D1143-R1147 IonicContact OD1-CZ 3.45Å; D1143-R1147 IonicContact OD1-NE 2.93Å; D1143-R1147 PolarHBondContact OD1-NE 3.1Å; D1143-R1147 IonicContact OD1-NH2 3.36Å; D1143-R1147 PolarHBondContact OD1-NH2 3.16Å; D1143-R1147 IonicContact OD2-CZ 3.21Å; D1143-R1147 VanDerWaalsContact OD2-CZ 3.23Å; D1143-R1147 IonicContact OD2-NE 2.89Å; D1143-R1147 PolarHBondContact OD2-NE 3.23Å; D1143-R1147 IonicContact OD2-NH2 2.87Å; D1143-R1147 PolarHBondContact OD2-NH2 3.29Å |
| 1144 | A | 90.3 | Very high | 87.7 | Confident | 0.6 Ų | 0.6 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1074 Q1132 M1133 I1140 S1146 R1147 F1148 | W1074-A1144 HydrophobicContact CZ2-CB 4.41Å; Q1132-A1144 VanDerWaalsContact C-CB 3.49Å; Q1132-A1144 HydrophobicContact CB-CB 3.64Å; Q1132-A1144 WeakPolarHBondContact O-CB 3.31Å; M1133-A1144 HydrophobicContact CG-CB 4.02Å; I1140-A1144 WeakPolarHBondContact O-CB 3.29Å; I1140-A1144 PolarHBondContact O-N 3.11Å; A1144-S1146 VanDerWaalsContact C-N 3.33Å; A1144-R1147 PolarHBondContact O-N 2.85Å; A1144-F1148 WeakPolarHBondContact O-CB 3.31Å; A1144-F1148 PolarHBondContact O-N 3.04Å |
| 1145 | H | 90.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 171.9 | -79.7 | 69.9 | 0 | 0 | 0 | 111.3 | M1133 K1141 I1142 D1143 R1147 F1148 I1149 L1247 N1250 L1305 | M1133-H1145 PolarHBondContact O-CE1 3.03Å; M1133-H1145 VanDerWaalsContact O-CE1 3.3Å; K1141-H1145 PolarHBondContact O-N 2.94Å; K1141-H1145 VanDerWaalsContact O-N 3.09Å; K1141-H1145 PolarHBondContact O-ND1 3.25Å; I1142-H1145 PolarHBondContact O-N 3.07Å; D1143-H1145 VanDerWaalsContact C-N 3.31Å; D1143-H1145 PolarHBondContact O-N 3.03Å; H1145-R1147 VanDerWaalsContact C-N 3.35Å; H1145-R1147 PolarHBondContact O-N 3.15Å; H1145-F1148 PolarHBondContact O-N 3.16Å; H1145-I1149 WeakPolarHBondContact O-CB 3.36Å; H1145-I1149 WeakPolarHBondContact O-CD1 3.25Å; H1145-I1149 VanDerWaalsContact O-CG1 3.25Å; H1145-I1149 WeakPolarHBondContact O-CG1 3.39Å; H1145-I1149 PolarHBondContact O-N 3.29Å; H1145-L1247 VanDerWaalsContact CD2-CD2 3.47Å; H1145-L1247 WeakPolarHBondContact CD2-CD2 3.38Å; H1145-N1250 PolarHBondContact CD2-ND2 3.28Å; H1145-N1250 VanDerWaalsContact CD2-ND2 3.33Å; H1145-N1250 PolarHBondContact NE2-ND2 3.25Å; H1145-L1305 HydrophobicContact CB-CD2 4.14Å |
| 1146 | S | 90.9 | Very high | 86.5 | Confident | 48.2 Ų | 48.2 | 43.6 Ų | 43.6 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61 | -41.9 | 178.6 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | I1142 D1143 A1144 I1149 L1150 | I1142-S1146 WeakPolarHBondContact O-CB 3.48Å; I1142-S1146 PolarHBondContact O-N 3.26Å; I1142-S1146 VanDerWaalsContact O-N 3.1Å; I1142-S1146 PolarHBondContact O-OG 3.23Å; D1143-S1146 CarbonylContact O-C 3.02Å; D1143-S1146 WeakPolarHBondContact O-CA 3.39Å; D1143-S1146 WeakPolarHBondContact O-CB 3.37Å; D1143-S1146 PolarHBondContact O-N 3.43Å; D1143-S1146 VanDerWaalsContact O-N 3.09Å; D1143-S1146 PolarHBondContact O-OG 3.21Å; A1144-S1146 VanDerWaalsContact C-N 3.33Å; S1146-I1149 PolarHBondContact O-N 3.22Å; S1146-L1150 WeakPolarHBondContact O-CB 3.39Å; S1146-L1150 PolarHBondContact O-N 3.34Å |
| 1147 | R | 91.4 | Very high | 85.3 | Confident | 34.8 Ų | 34.8 | 44.8 Ų | 44.8 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67 | -39 | 175.6 | -66.9 | -178.7 | -163.4 | -146.1 | 7.1 | 112.3 | W1074 R1075 L1077 S1078 D1143 A1144 H1145 L1150 L1151 | W1074-R1147 HydrophobicContact CH2-CB 3.68Å; W1074-R1147 HydrophobicContact CZ2-CB 3.54Å; W1074-R1147 VanDerWaalsContact CZ2-CB 3.48Å; W1074-R1147 HydrophobicContact CZ2-CG 4.44Å; W1074-R1147 HydrophobicContact CZ3-CB 4.36Å; W1074-R1147 PolarHBondContact O-NH1 3.11Å; R1075-R1147 PolarHBondContact O-NH1 3.19Å; L1077-R1147 HydrophobicContact CB-CB 4.36Å; L1077-R1147 HydrophobicContact CB-CG 4.38Å; S1078-R1147 VanDerWaalsContact OG-CZ 3.26Å; S1078-R1147 PolarHBondContact OG-NH1 3.4Å; S1078-R1147 VanDerWaalsContact OG-NH1 3.11Å; S1078-R1147 PolarHBondContact OG-NH2 3.21Å; D1143-R1147 VanDerWaalsContact CG-NE 3.28Å; D1143-R1147 WeakPolarHBondContact O-CG 3.37Å; D1143-R1147 PolarHBondContact O-N 3.31Å; D1143-R1147 IonicContact OD1-CZ 3.45Å; D1143-R1147 IonicContact OD1-NE 2.93Å; D1143-R1147 PolarHBondContact OD1-NE 3.1Å; D1143-R1147 IonicContact OD1-NH2 3.36Å; D1143-R1147 PolarHBondContact OD1-NH2 3.16Å; D1143-R1147 IonicContact OD2-CZ 3.21Å; D1143-R1147 VanDerWaalsContact OD2-CZ 3.23Å; D1143-R1147 IonicContact OD2-NE 2.89Å; D1143-R1147 PolarHBondContact OD2-NE 3.23Å; D1143-R1147 IonicContact OD2-NH2 2.87Å; D1143-R1147 PolarHBondContact OD2-NH2 3.29Å; A1144-R1147 PolarHBondContact O-N 2.85Å; H1145-R1147 VanDerWaalsContact C-N 3.35Å; H1145-R1147 PolarHBondContact O-N 3.15Å; R1147-L1150 WeakPolarHBondContact O-CB 3.39Å; R1147-L1150 PolarHBondContact O-N 3.22Å; R1147-L1151 WeakPolarHBondContact O-CB 3.38Å; R1147-L1151 PolarHBondContact O-N 3.16Å |
| 1148 | F | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.1 | -39.3 | 176.2 | -173.8 | -111.3 | 0 | 0 | 0 | 112 | W1074 I1129 M1133 A1144 H1145 L1150 L1151 W1152 F1240 C1243 L1247 | W1074-F1148 HydrophobicContact CH2-CB 4.06Å; I1129-F1148 HydrophobicContact CG2-CB 4.41Å; I1129-F1148 HydrophobicContact CG2-CD2 4.11Å; I1129-F1148 HydrophobicContact CG2-CG 4.37Å; M1133-F1148 HydrophobicContact CE-CB 4.39Å; M1133-F1148 HydrophobicContact CE-CD1 4.02Å; M1133-F1148 HydrophobicContact CE-CG 4.43Å; M1133-F1148 HydrophobicContact SD-CB 3.87Å; M1133-F1148 HydrophobicContact SD-CD1 4.03Å; M1133-F1148 HydrophobicContact SD-CG 3.91Å; A1144-F1148 WeakPolarHBondContact O-CB 3.31Å; A1144-F1148 PolarHBondContact O-N 3.04Å; H1145-F1148 PolarHBondContact O-N 3.16Å; F1148-L1150 VanDerWaalsContact C-N 3.33Å; F1148-L1150 PolarHBondContact O-N 3.19Å; F1148-L1151 HydrophobicContact CD2-CD2 4.17Å; F1148-L1151 HydrophobicContact CE2-CD2 4.37Å; F1148-L1151 PolarHBondContact O-N 3.15Å; F1148-W1152 HydrophobicContact CZ-CE3 4.23Å; F1148-W1152 VanDerWaalsContact O-CB 3.3Å; F1148-W1152 WeakPolarHBondContact O-CB 3.4Å; F1148-W1152 PolarHBondContact O-N 3.01Å; F1148-F1240 HydrophobicContact CE2-CB 3.78Å; F1148-F1240 HydrophobicContact CE2-CD1 4.39Å; F1148-F1240 HydrophobicContact CE2-CD2 4.43Å; F1148-F1240 AromaticContact CE2-CG 3.97Å; F1148-F1240 HydrophobicContact CE2-CG 4.06Å; F1148-F1240 HydrophobicContact CZ-CB 3.9Å; F1148-C1243 HydrophobicContact CD1-CB 3.98Å; F1148-C1243 HydrophobicContact CD2-CB 3.98Å; F1148-C1243 HydrophobicContact CE1-CB 3.49Å; F1148-C1243 VanDerWaalsContact CE1-CB 3.47Å; F1148-C1243 HydrophobicContact CE2-CB 3.49Å; F1148-C1243 VanDerWaalsContact CE2-CB 3.47Å; F1148-C1243 HydrophobicContact CG-CB 4.23Å; F1148-C1243 HydrophobicContact CZ-CB 3.24Å; F1148-L1247 HydrophobicContact CD1-CD1 3.65Å; F1148-L1247 HydrophobicContact CD1-CD2 4.43Å; F1148-L1247 HydrophobicContact CD1-CG 3.96Å; F1148-L1247 HydrophobicContact CE1-CD1 3.79Å; F1148-L1247 HydrophobicContact CE1-CG 4.16Å |
| 1149 | I | 89.9 | Confident | 82.1 | Confident | 22.2 Ų | 22.2 | 42.8 Ų | 42.8 | 11% | 0.114 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 173.2 | -72.5 | 167.1 | 0 | 0 | 0 | 110.9 | H1145 S1146 W1152 H1153 L1247 Q1308 W1312 | H1145-I1149 WeakPolarHBondContact O-CB 3.36Å; H1145-I1149 WeakPolarHBondContact O-CD1 3.25Å; H1145-I1149 VanDerWaalsContact O-CG1 3.25Å; H1145-I1149 WeakPolarHBondContact O-CG1 3.39Å; H1145-I1149 PolarHBondContact O-N 3.29Å; S1146-I1149 PolarHBondContact O-N 3.22Å; I1149-W1152 PolarHBondContact O-N 3.25Å; I1149-H1153 PolarHBondContact O-CD2 3.27Å; I1149-H1153 PolarHBondContact O-N 3.16Å; I1149-L1247 HydrophobicContact CD1-CD2 4.4Å; I1149-L1247 HydrophobicContact CG1-CD1 3.98Å; I1149-L1247 HydrophobicContact CG1-CD2 4.35Å; I1149-Q1308 HydrophobicContact CD1-CB 4.01Å; I1149-W1312 HydrophobicContact CD1-CB 3.94Å; I1149-W1312 HydrophobicContact CG1-CB 3.87Å; I1149-W1312 HydrophobicContact CG1-CG 3.95Å; I1149-W1312 HydrophobicContact CG2-CB 4.13Å; I1149-W1312 HydrophobicContact CG2-CG 4.4Å |
| 1150 | L | 88.8 | Confident | 79.8 | Confident | 50.6 Ų | 50.6 | 40.8 Ų | 40.8 | 27% | 0.265 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.1 | -55 | 172.7 | 172.8 | 66.4 | 0 | 0 | 0 | 111.3 | L1077 H1085 S1146 R1147 F1148 W1152 H1153 L1154 | L1077-L1150 HydrophobicContact CD2-CD2 4.34Å; L1077-L1150 HydrophobicContact CD2-CG 4.4Å; L1077-L1150 VanDerWaalsContact O-CD2 3.29Å; L1077-L1150 WeakPolarHBondContact O-CD2 3.41Å; H1085-L1150 VanDerWaalsContact CE1-CD2 3.47Å; H1085-L1150 WeakPolarHBondContact CE1-CD2 3.35Å; S1146-L1150 WeakPolarHBondContact O-CB 3.39Å; S1146-L1150 PolarHBondContact O-N 3.34Å; R1147-L1150 WeakPolarHBondContact O-CB 3.39Å; R1147-L1150 PolarHBondContact O-N 3.22Å; F1148-L1150 VanDerWaalsContact C-N 3.33Å; F1148-L1150 PolarHBondContact O-N 3.19Å; L1150-W1152 VanDerWaalsContact C-N 3.31Å; L1150-W1152 PolarHBondContact O-N 3.22Å; L1150-H1153 PolarHBondContact O-N 3.04Å; L1150-H1153 VanDerWaalsContact O-N 3.12Å; L1150-L1154 HydrophobicContact CD1-CD1 3.88Å; L1150-L1154 HydrophobicContact CD1-CG 4.17Å; L1150-L1154 HydrophobicContact CG-CD1 3.92Å; L1150-L1154 HydrophobicContact CG-CG 4.46Å; L1150-L1154 WeakPolarHBondContact O-CG 3.31Å; L1150-L1154 PolarHBondContact O-N 3.27Å; L1150-L1154 VanDerWaalsContact O-N 3.11Å |
| 1151 | L | 87.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -51.9 | -49.5 | 177.7 | 179.5 | 67.2 | 0 | 0 | 0 | 111.1 | W1074 L1077 T1089 L1092 I1129 R1147 F1148 H1153 L1154 L1155 F1240 | W1074-L1151 HydrophobicContact CZ3-CD2 4.26Å; L1077-L1151 HydrophobicContact CD1-CB 4.4Å; L1077-L1151 HydrophobicContact CD1-CD1 4.27Å; T1089-L1151 HydrophobicContact CG2-CD1 3.75Å; L1092-L1151 HydrophobicContact CD2-CD1 4.08Å; L1092-L1151 HydrophobicContact CD2-CD2 3.86Å; L1092-L1151 HydrophobicContact CD2-CG 4.46Å; I1129-L1151 HydrophobicContact CD1-CD2 4.37Å; R1147-L1151 WeakPolarHBondContact O-CB 3.38Å; R1147-L1151 PolarHBondContact O-N 3.16Å; F1148-L1151 HydrophobicContact CD2-CD2 4.17Å; F1148-L1151 HydrophobicContact CE2-CD2 4.37Å; F1148-L1151 PolarHBondContact O-N 3.15Å; L1151-H1153 VanDerWaalsContact C-N 3.3Å; L1151-H1153 PolarHBondContact O-N 3.23Å; L1151-L1154 PolarHBondContact O-N 3.17Å; L1151-L1154 VanDerWaalsContact O-N 3.09Å; L1151-L1155 HydrophobicContact CD1-CD1 4.43Å; L1151-L1155 HydrophobicContact CD1-CG 4.46Å; L1151-L1155 HydrophobicContact CG-CD1 4.21Å; L1151-L1155 HydrophobicContact CG-CG 4.38Å; L1151-L1155 WeakPolarHBondContact O-CB 3.41Å; L1151-L1155 VanDerWaalsContact O-CG 3.28Å; L1151-L1155 WeakPolarHBondContact O-CG 3.33Å; L1151-L1155 PolarHBondContact O-N 3.13Å; L1151-F1240 HydrophobicContact CD2-CD2 4.39Å; L1151-F1240 HydrophobicContact CD2-CE2 4.17Å; L1151-F1240 HydrophobicContact CD2-CZ 4.26Å |
| 1152 | W | 86.1 | Confident | 74.8 | Confident | 10.6 Ų | 10.6 | 48.4 Ų | 48.4 | 4% | 0.04 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55 | -41.4 | 179.3 | -179.5 | -89.6 | 0 | 0 | 0 | 113.6 | F1148 I1149 L1150 L1155 T1244 W1312 Q1321 R1324 L1325 | F1148-W1152 HydrophobicContact CZ-CE3 4.23Å; F1148-W1152 VanDerWaalsContact O-CB 3.3Å; F1148-W1152 WeakPolarHBondContact O-CB 3.4Å; F1148-W1152 PolarHBondContact O-N 3.01Å; I1149-W1152 PolarHBondContact O-N 3.25Å; L1150-W1152 VanDerWaalsContact C-N 3.31Å; L1150-W1152 PolarHBondContact O-N 3.22Å; W1152-L1155 WeakPolarHBondContact O-CB 3.22Å; W1152-T1244 HydrophobicContact CH2-CG2 3.74Å; W1152-T1244 HydrophobicContact CZ2-CG2 4.38Å; W1152-T1244 HydrophobicContact CZ3-CG2 3.95Å; W1152-T1244 WeakPolarHBondContact CZ3-OG1 3.25Å; W1152-W1312 AromaticContact CD1-CD1 3.89Å; W1152-W1312 AromaticContact CD1-CE2 3.91Å; W1152-W1312 AromaticContact CD1-NE1 3.05Å; W1152-W1312 HydrophobicContact CD2-CZ2 4.19Å; W1152-W1312 AromaticContact CD2-NE1 3.91Å; W1152-W1312 AromaticContact CE2-CZ2 3.89Å; W1152-W1312 AromaticContact CE2-NE1 3.95Å; W1152-W1312 HydrophobicContact CG-CZ2 4.38Å; W1152-W1312 AromaticContact CG-NE1 3.33Å; W1152-W1312 VanDerWaalsContact CG-NE1 3.31Å; W1152-W1312 HydrophobicContact CZ2-CZ2 4.2Å; W1152-W1312 AromaticContact NE1-CE2 3.97Å; W1152-W1312 AromaticContact NE1-CZ2 3.95Å; W1152-W1312 AromaticContact NE1-NE1 3.47Å; W1152-Q1321 VanDerWaalsContact NE1-OE1 3.17Å; W1152-Q1321 PolarHBondContact O-NE2 3.23Å; W1152-R1324 HydrophobicContact CH2-CB 3.7Å; W1152-R1324 WeakPolarHBondContact CH2-O 3.33Å; W1152-R1324 HydrophobicContact CZ2-CB 3.67Å; W1152-R1324 PolarHBondContact O-NH1 3.48Å; W1152-L1325 HydrophobicContact CZ2-CB 4.38Å |
| 1153 | H | 84.8 | Confident | 72.1 | Confident | 23.2 Ų | 23.2 | 52.2 Ų | 52.2 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -75.9 | -37 | 178.8 | -66.1 | -50.1 | 0 | 0 | 0 | 112.9 | I1149 L1150 L1151 L1155 R1156 W1312 K1315 Q1321 | I1149-H1153 PolarHBondContact O-CD2 3.27Å; I1149-H1153 PolarHBondContact O-N 3.16Å; L1150-H1153 PolarHBondContact O-N 3.04Å; L1150-H1153 VanDerWaalsContact O-N 3.12Å; L1151-H1153 VanDerWaalsContact C-N 3.3Å; L1151-H1153 PolarHBondContact O-N 3.23Å; H1153-L1155 VanDerWaalsContact C-N 3.31Å; H1153-L1155 PolarHBondContact O-N 3.04Å; H1153-R1156 VanDerWaalsContact O-CB 3.25Å; H1153-R1156 WeakPolarHBondContact O-CB 3.32Å; H1153-R1156 PolarHBondContact O-N 3.19Å; H1153-R1156 VanDerWaalsContact O-N 3.17Å; H1153-W1312 AromaticContact CE1-CD1 3.8Å; H1153-W1312 AromaticContact NE2-CD1 3.84Å; H1153-K1315 VanDerWaalsContact CD2-CE 3.48Å; H1153-K1315 WeakPolarHBondContact CD2-CE 3.35Å; H1153-K1315 PolarHBondContact CD2-NZ 2.98Å; H1153-K1315 VanDerWaalsContact CD2-NZ 3.31Å; H1153-K1315 VanDerWaalsContact NE2-CD 3.33Å; H1153-K1315 WeakPolarHBondContact NE2-CD 3.42Å; H1153-K1315 VanDerWaalsContact NE2-CE 3.26Å; H1153-K1315 WeakPolarHBondContact NE2-CE 3.27Å; H1153-K1315 PolarHBondContact NE2-NZ 2.95Å; H1153-Q1321 PolarHBondContact ND1-OE1 3.04Å |
| 1154 | L | 83.1 | Confident | 69.3 | Low | 27 Ų | 27 | 53.7 Ų | 53.7 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -35.3 | 175.9 | -64.7 | 173.6 | 0 | 0 | 0 | 111.7 | L1077 H1085 T1089 L1150 L1151 R1156 Y1157 Y1158 | L1077-L1154 HydrophobicContact CD2-CD1 4.46Å; H1085-L1154 HydrophobicContact CB-CD1 3.82Å; T1089-L1154 HydrophobicContact CG2-CB 4.05Å; T1089-L1154 VanDerWaalsContact OG1-CD1 3.31Å; T1089-L1154 WeakPolarHBondContact OG1-CD1 3.41Å; L1150-L1154 HydrophobicContact CD1-CD1 3.88Å; L1150-L1154 HydrophobicContact CD1-CG 4.17Å; L1150-L1154 HydrophobicContact CG-CD1 3.92Å; L1150-L1154 HydrophobicContact CG-CG 4.46Å; L1150-L1154 WeakPolarHBondContact O-CG 3.31Å; L1150-L1154 PolarHBondContact O-N 3.27Å; L1150-L1154 VanDerWaalsContact O-N 3.11Å; L1151-L1154 PolarHBondContact O-N 3.17Å; L1151-L1154 VanDerWaalsContact O-N 3.09Å; L1154-R1156 PolarHBondContact O-N 3.22Å; L1154-Y1157 PolarHBondContact O-N 3.24Å; L1154-Y1157 VanDerWaalsContact O-N 3.14Å; L1154-Y1158 WeakPolarHBondContact O-CE2 3.47Å |
| 1155 | L | 78.7 | Confident | 66.5 | Low | 15.8 Ų | 15.8 | 59.8 Ų | 59.8 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -18.3 | 173 | -76.2 | 171.1 | 0 | 0 | 0 | 114.1 | T1089 V1093 L1151 W1152 H1153 Y1157 Y1158 I1238 F1240 R1324 | T1089-L1155 HydrophobicContact CG2-CD2 3.76Å; T1089-L1155 HydrophobicContact CG2-CG 4.31Å; V1093-L1155 HydrophobicContact CG1-CD2 4.38Å; V1093-L1155 HydrophobicContact CG2-CD1 4.5Å; V1093-L1155 HydrophobicContact CG2-CD2 3.35Å; V1093-L1155 HydrophobicContact CG2-CG 4.31Å; L1151-L1155 HydrophobicContact CD1-CD1 4.43Å; L1151-L1155 HydrophobicContact CD1-CG 4.46Å; L1151-L1155 HydrophobicContact CG-CD1 4.21Å; L1151-L1155 HydrophobicContact CG-CG 4.38Å; L1151-L1155 WeakPolarHBondContact O-CB 3.41Å; L1151-L1155 VanDerWaalsContact O-CG 3.28Å; L1151-L1155 WeakPolarHBondContact O-CG 3.33Å; L1151-L1155 PolarHBondContact O-N 3.13Å; W1152-L1155 WeakPolarHBondContact O-CB 3.22Å; H1153-L1155 VanDerWaalsContact C-N 3.31Å; H1153-L1155 PolarHBondContact O-N 3.04Å; L1155-Y1157 VanDerWaalsContact C-N 3.3Å; L1155-Y1157 PolarHBondContact O-N 3.28Å; L1155-Y1158 PolarHBondContact O-N 3.13Å; L1155-I1238 HydrophobicContact CB-CD1 4.36Å; L1155-I1238 HydrophobicContact CD1-CG2 4.03Å; L1155-I1238 HydrophobicContact CD2-CD1 4.32Å; L1155-F1240 HydrophobicContact CD1-CD2 4.31Å; L1155-F1240 HydrophobicContact CD1-CE2 4.41Å; L1155-R1324 PolarHBondContact O-NH1 3.09Å; L1155-R1324 PolarHBondContact O-NH2 3.32Å; L1155-R1324 VanDerWaalsContact O-NH2 3.1Å |
| 1156 | R | 70.4 | Confident | 63.8 | Low | 114.6 Ų | 114.6 | 66.1 Ų | 66.1 | 43% | 0.432 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.4 | -40 | 178.5 | -167.5 | -175.5 | -174 | -139.8 | 2.6 | 112.6 | H1153 L1154 Y1158 G1159 S1160 T1319 Q1321 | H1153-R1156 VanDerWaalsContact O-CB 3.25Å; H1153-R1156 WeakPolarHBondContact O-CB 3.32Å; H1153-R1156 PolarHBondContact O-N 3.19Å; H1153-R1156 VanDerWaalsContact O-N 3.17Å; L1154-R1156 PolarHBondContact O-N 3.22Å; R1156-Y1158 VanDerWaalsContact C-N 3.3Å; R1156-Y1158 PolarHBondContact O-N 3.1Å; R1156-G1159 PolarHBondContact O-N 3.27Å; R1156-S1160 PolarHBondContact O-N 3.43Å; R1156-T1319 VanDerWaalsContact CZ-O 3.3Å; R1156-T1319 PolarHBondContact NE-O 3.09Å; R1156-T1319 VanDerWaalsContact NE-O 3.14Å; R1156-T1319 PolarHBondContact NH2-O 3.38Å; R1156-Q1321 HydrophobicContact CG-CG 4.27Å |
| 1157 | Y | 56.7 | Low | 60.7 | Low | 154.8 Ų | 154.8 | 71.7 Ų | 71.7 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.5 | -25.9 | -173.6 | -70.7 | -72.7 | 0 | 0 | 0 | 113.7 | L1154 L1155 | L1154-Y1157 PolarHBondContact O-N 3.24Å; L1154-Y1157 VanDerWaalsContact O-N 3.14Å; L1155-Y1157 VanDerWaalsContact C-N 3.3Å; L1155-Y1157 PolarHBondContact O-N 3.28Å |
| 1158 | Y | 53.6 | Low | 57.8 | Low | 64 Ų | 64 | 74.8 Ų | 74.8 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76.3 | -33 | -177.3 | -64.7 | -83.5 | 0 | 0 | 0 | 113 | D1086 T1089 S1090 L1154 L1155 R1156 S1160 R1161 A1207 | D1086-Y1158 PolarHBondContact O-OH 3.08Å; T1089-Y1158 HydrophobicContact CG2-CD2 4.3Å; T1089-Y1158 HydrophobicContact CG2-CE2 4.01Å; S1090-Y1158 WeakPolarHBondContact CB-OH 3.35Å; S1090-Y1158 PolarHBondContact OG-OH 3.1Å; L1154-Y1158 WeakPolarHBondContact O-CE2 3.47Å; L1155-Y1158 PolarHBondContact O-N 3.13Å; R1156-Y1158 VanDerWaalsContact C-N 3.3Å; R1156-Y1158 PolarHBondContact O-N 3.1Å; Y1158-S1160 VanDerWaalsContact C-N 3.32Å; Y1158-S1160 PolarHBondContact O-N 3.18Å; Y1158-R1161 PolarHBondContact O-N 3.46Å; Y1158-A1207 HydrophobicContact CE1-CB 4.32Å |
| 1159 | G | 48.7 | Very low | 54.7 | Low | 25.6 Ų | 25.6 | 82.5 Ų | 82.5 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -75 | -30.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1156 R1161 Y1236 | R1156-G1159 PolarHBondContact O-N 3.27Å; G1159-R1161 VanDerWaalsContact C-N 3.29Å; G1159-R1161 PolarHBondContact O-N 3.09Å; G1159-R1161 VanDerWaalsContact O-N 3.12Å; G1159-Y1236 VanDerWaalsContact C-OH 3.25Å; G1159-Y1236 VanDerWaalsContact O-CE1 3.24Å; G1159-Y1236 WeakPolarHBondContact O-CE1 3.47Å; G1159-Y1236 PolarHBondContact O-OH 2.85Å |
| 1160 | S | 38 | Very low | 51.9 | Low | 82.6 Ų | 82.6 | 87.3 Ų | 87.3 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -77.6 | -24.6 | -171.3 | -173.4 | 0 | 0 | 0 | 0 | 114.6 | R1156 Y1158 V1162 Q1163 S1164 | R1156-S1160 PolarHBondContact O-N 3.43Å; Y1158-S1160 VanDerWaalsContact C-N 3.32Å; Y1158-S1160 PolarHBondContact O-N 3.18Å; S1160-V1162 PolarHBondContact O-N 3.02Å; S1160-V1162 VanDerWaalsContact O-N 3.14Å; S1160-Q1163 PolarHBondContact O-N 3.19Å; S1160-S1164 PolarHBondContact O-N 3.07Å |
| 1161 | R | 35 | Very low | 49.1 | Very low | 171.8 Ų | 171.8 | 92.4 Ų | 92.4 | 65% | 0.648 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -78.8 | -13.8 | -173.3 | -73.6 | -169.9 | 179 | -169.8 | 3 | 115.3 | Y1158 G1159 S1164 V1208 | Y1158-R1161 PolarHBondContact O-N 3.46Å; G1159-R1161 VanDerWaalsContact C-N 3.29Å; G1159-R1161 PolarHBondContact O-N 3.09Å; G1159-R1161 VanDerWaalsContact O-N 3.12Å; R1161-S1164 PolarHBondContact O-OG 3.08Å; R1161-S1164 VanDerWaalsContact O-OG 3.09Å; R1161-V1208 VanDerWaalsContact NH1-CG2 3.28Å |
| 1162 | V | 36.4 | Very low | 46.4 | Very low | 84.6 Ų | 84.6 | 97.7 Ų | 97.7 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -89.6 | -30.9 | -180 | -179 | 0 | 0 | 0 | 0 | 111.6 | S1160 S1164 N1165 I1166 Y1236 | S1160-V1162 PolarHBondContact O-N 3.02Å; S1160-V1162 VanDerWaalsContact O-N 3.14Å; V1162-S1164 PolarHBondContact O-N 3.2Å; V1162-N1165 PolarHBondContact O-N 3.08Å; V1162-N1165 VanDerWaalsContact O-N 3.08Å; V1162-I1166 HydrophobicContact CG1-CD1 3.58Å; V1162-I1166 WeakPolarHBondContact O-CG1 3.43Å; V1162-Y1236 HydrophobicContact CB-CE2 4.03Å; V1162-Y1236 VanDerWaalsContact CB-OH 3.3Å; V1162-Y1236 WeakPolarHBondContact CB-OH 3.39Å; V1162-Y1236 HydrophobicContact CG1-CE2 4.14Å; V1162-Y1236 WeakPolarHBondContact CG1-OH 3.47Å; V1162-Y1236 HydrophobicContact CG2-CE2 3.69Å; V1162-Y1236 WeakPolarHBondContact CG2-OH 3.41Å |
| 1163 | Q | 32.2 | Very low | 43.7 | Very low | 112 Ų | 112 | 102.4 Ų | 102.4 | 52% | 0.523 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.5 | -26.4 | 179.8 | -68.9 | -179.4 | -7.9 | 0 | 0 | 113.7 | S1160 N1165 I1166 | S1160-Q1163 PolarHBondContact O-N 3.19Å; Q1163-N1165 VanDerWaalsContact C-N 3.32Å; Q1163-N1165 PolarHBondContact O-N 3.22Å; Q1163-N1165 VanDerWaalsContact O-N 3.11Å; Q1163-I1166 PolarHBondContact O-N 3.48Å; Q1163-I1166 VanDerWaalsContact O-N 3.14Å |
| 1164 | S | 31.1 | Very low | 41.3 | Very low | 84 Ų | 84 | 107.7 Ų | 107.7 | 59% | 0.587 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -11.3 | -178.6 | 57.3 | 0 | 0 | 0 | 0 | 115 | S1160 R1161 V1162 | S1160-S1164 PolarHBondContact O-N 3.07Å; R1161-S1164 PolarHBondContact O-OG 3.08Å; R1161-S1164 VanDerWaalsContact O-OG 3.09Å; V1162-S1164 PolarHBondContact O-N 3.2Å |
| 1165 | N | 30.9 | Very low | 38.7 | Very low | 129.2 Ų | 129.2 | 113.7 Ų | 113.7 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 3.2 | -174.3 | -65.5 | 1.8 | 0 | 0 | 0 | 113.4 | V1162 Q1163 H1167 | V1162-N1165 PolarHBondContact O-N 3.08Å; V1162-N1165 VanDerWaalsContact O-N 3.08Å; Q1163-N1165 VanDerWaalsContact C-N 3.32Å; Q1163-N1165 PolarHBondContact O-N 3.22Å; Q1163-N1165 VanDerWaalsContact O-N 3.11Å; N1165-H1167 PolarHBondContact O-N 3.41Å; N1165-H1167 VanDerWaalsContact O-N 3.1Å |
| 1166 | I | 33.3 | Very low | 36.4 | Very low | 131.6 Ų | 131.6 | 119.5 Ų | 119.5 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | trans | -102.5 | 65.9 | 179 | -54.7 | 178.8 | 0 | 0 | 0 | 110 | V1162 Q1163 P1168 | V1162-I1166 HydrophobicContact CG1-CD1 3.58Å; V1162-I1166 WeakPolarHBondContact O-CG1 3.43Å; Q1163-I1166 PolarHBondContact O-N 3.48Å; Q1163-I1166 VanDerWaalsContact O-N 3.14Å; I1166-P1168 WeakPolarHBondContact O-CD 3.29Å | ||
| 1167 | H | 26.9 | Very low | 34.5 | Very low | 166.6 Ų | 166.6 | 119.1 Ų | 119.1 | 77% | 0.771 | 67% | 0.666 | S | S | * | * | trans | -60.9 | 125.1 | 165.9 | -106.1 | -83.6 | 0 | 0 | 0 | 112.5 | N1165 L1169 | N1165-H1167 PolarHBondContact O-N 3.41Å; N1165-H1167 VanDerWaalsContact O-N 3.1Å; H1167-L1169 PolarHBondContact O-N 3.21Å; H1167-L1169 VanDerWaalsContact O-N 3.15Å | ||
| 1168 | P | 29.2 | Very low | 33.2 | Very low | 100.2 Ų | 100.2 | 117.7 Ų | 117.7 | 65% | 0.651 | 67% | 0.673 | S | S | * | * | trans | -80.8 | 125.5 | 165.8 | 30.8 | -30.7 | 0 | 0 | 0 | 110.7 | I1166 T1170 | I1166-P1168 WeakPolarHBondContact O-CD 3.29Å; P1168-T1170 VanDerWaalsContact C-N 3.33Å; P1168-T1170 PolarHBondContact O-N 3.21Å; P1168-T1170 PolarHBondContact O-OG1 3.27Å; P1168-T1170 VanDerWaalsContact O-OG1 3.12Å | ||
| 1169 | L | 27.3 | Very low | 32 | Very low | 161.8 Ų | 161.8 | 120.8 Ų | 120.8 | 85% | 0.847 | 69% | 0.694 | S | S | * | * | trans | -53.4 | 94.4 | 169.5 | -77.6 | 160 | 0 | 0 | 0 | 112.4 | H1167 N1171 | H1167-L1169 PolarHBondContact O-N 3.21Å; H1167-L1169 VanDerWaalsContact O-N 3.15Å; L1169-N1171 VanDerWaalsContact C-N 3.27Å; L1169-N1171 PolarHBondContact O-N 3.35Å | ||
| 1170 | T | 31 | Very low | 31.1 | Very low | 122.8 Ų | 122.8 | 127.1 Ų | 127.1 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -100 | 102.3 | 161.5 | 40.2 | 0 | 0 | 0 | 0 | 110.3 | P1168 S1172 | P1168-T1170 VanDerWaalsContact C-N 3.33Å; P1168-T1170 PolarHBondContact O-N 3.21Å; P1168-T1170 PolarHBondContact O-OG1 3.27Å; P1168-T1170 VanDerWaalsContact O-OG1 3.12Å; T1170-S1172 VanDerWaalsContact C-N 3.31Å; T1170-S1172 PolarHBondContact O-N 3.25Å; T1170-S1172 VanDerWaalsContact O-N 3.07Å; T1170-S1172 PolarHBondContact O-OG 3.12Å | ||
| 1171 | N | 29 | Very low | 30.6 | Very low | 158.2 Ų | 158.2 | 132.3 Ų | 132.3 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | -85 | 94.4 | 174.1 | -79.2 | -22.9 | 0 | 0 | 0 | 111.6 | L1169 S1173 | L1169-N1171 VanDerWaalsContact C-N 3.27Å; L1169-N1171 PolarHBondContact O-N 3.35Å; N1171-S1173 PolarHBondContact O-N 2.87Å | ||
| 1172 | S | 31.3 | Very low | 30.3 | Very low | 111.6 Ų | 111.6 | 129.3 Ų | 129.3 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -131.4 | 104.9 | 154.9 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | T1170 T1174 | T1170-S1172 VanDerWaalsContact C-N 3.31Å; T1170-S1172 PolarHBondContact O-N 3.25Å; T1170-S1172 VanDerWaalsContact O-N 3.07Å; T1170-S1172 PolarHBondContact O-OG 3.12Å; S1172-T1174 VanDerWaalsContact C-N 3.28Å; S1172-T1174 PolarHBondContact O-N 2.75Å | ||
| 1173 | S | 30.4 | Very low | 29.9 | Very low | 108.4 Ų | 108.4 | 131.5 Ų | 131.5 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | trans | -81.9 | 124 | 177.5 | 55 | 0 | 0 | 0 | 0 | 112 | N1171 N1175 | N1171-S1173 PolarHBondContact O-N 2.87Å; S1173-N1175 PolarHBondContact O-N 3.3Å | ||
| 1174 | T | 33.4 | Very low | 29.8 | Very low | 134.6 Ų | 134.6 | 132.6 Ų | 132.6 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -162.5 | 128 | 149 | 31.8 | 0 | 0 | 0 | 0 | 112.4 | S1172 T1176 | S1172-T1174 VanDerWaalsContact C-N 3.28Å; S1172-T1174 PolarHBondContact O-N 2.75Å; T1174-T1176 PolarHBondContact O-N 2.91Å; T1174-T1176 VanDerWaalsContact O-N 3.12Å | ||
| 1175 | N | 28.7 | Very low | 29.6 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -68.7 | 143.5 | 171.6 | -66.1 | -36.5 | 0 | 0 | 0 | 114.7 | S1173 | S1173-N1175 PolarHBondContact O-N 3.3Š| ||
| 1176 | T | 31.6 | Very low | 29.4 | Very low | 136.6 Ų | 136.6 | 143.1 Ų | 143.1 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 154 | 134.8 | 145.1 | 35.1 | 0 | 0 | 0 | 0 | 114.5 | T1174 | T1174-T1176 PolarHBondContact O-N 2.91Å; T1174-T1176 VanDerWaalsContact O-N 3.12Å | ||
| 1177 | S | 29 | Very low | 29.1 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -64.2 | 147.1 | 174.5 | 58.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1178 | V | 29.7 | Very low | 29.1 | Very low | 124.4 Ų | 124.4 | 141.2 Ų | 141.2 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -158.5 | 139.1 | 130 | 168.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1179 | N | 29.3 | Very low | 29 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | 47.5 | 124.1 | 163.9 | -60.1 | -23.3 | 0 | 0 | 0 | 119.4 | ||||
| 1180 | Q | 29.9 | Very low | 29 | Very low | 156.6 Ų | 156.6 | 141.7 Ų | 141.7 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | 143.8 | 130.5 | 93.9 | -88.8 | 170.3 | 8.1 | 0 | 0 | 115.4 | |||||
| 1181 | F | 26.3 | Very low | 28.8 | Very low | 191.6 Ų | 191.6 | 140.6 Ų | 140.6 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | 68.3 | 138.1 | 144.1 | -76.8 | -63.7 | 0 | 0 | 0 | 116.9 | V1183 | F1181-V1183 PolarHBondContact O-N 3.22Š| ||
| 1182 | P | 29.6 | Very low | 28.7 | Very low | 109.2 Ų | 109.2 | 138.9 Ų | 138.9 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | -119.1 | 160.1 | -160.2 | 34.5 | -19.7 | 0 | 0 | 0 | 114.2 | T1184 | P1182-T1184 VanDerWaalsContact C-N 3.33Å; P1182-T1184 PolarHBondContact O-N 2.87Å | ||
| 1183 | V | 28.5 | Very low | 28.6 | Very low | 130.6 Ų | 130.6 | 141.4 Ų | 141.4 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | 114.1 | 122.8 | 161.1 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | F1181 K1185 | F1181-V1183 PolarHBondContact O-N 3.22Å; V1183-K1185 PolarHBondContact O-N 2.8Å | ||
| 1184 | T | 30.1 | Very low | 28.3 | Very low | 134.6 Ų | 134.6 | 142.4 Ų | 142.4 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | -110.2 | 131.3 | 100.9 | 28.2 | 0 | 0 | 0 | 0 | 112 | P1182 R1186 | P1182-T1184 VanDerWaalsContact C-N 3.33Å; P1182-T1184 PolarHBondContact O-N 2.87Å; T1184-R1186 PolarHBondContact O-N 2.72Å; T1184-R1186 VanDerWaalsContact O-N 3.12Å | |||
| 1185 | K | 26.1 | Very low | 27.9 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | trans | -83.9 | 137.7 | 171.5 | -66.9 | 179.6 | 177.1 | -179.9 | 0 | 110.7 | V1183 | V1183-K1185 PolarHBondContact O-N 2.8Š| ||
| 1186 | R | 27.2 | Very low | 27.9 | Very low | 234.4 Ų | 234.4 | 141.6 Ų | 141.6 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | -121 | 133.9 | 153.2 | -126 | 175.6 | -173 | 175.9 | 1 | 109.4 | N652 T1184 L1188 | N652-R1186 PolarHBondContact OD1-NH2 2.85Å; T1184-R1186 PolarHBondContact O-N 2.72Å; T1184-R1186 VanDerWaalsContact O-N 3.12Å; R1186-L1188 PolarHBondContact O-N 2.64Å | ||
| 1187 | S | 26.6 | Very low | 27.6 | Very low | 97.8 Ų | 97.8 | 145 Ų | 145 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | -108.9 | 131.9 | -169.2 | 142.9 | 0 | 0 | 0 | 0 | 109.6 | H1189 | S1187-H1189 PolarHBondContact O-N 2.88Å; S1187-H1189 VanDerWaalsContact O-N 3.08Å | ||
| 1188 | L | 26.1 | Very low | 27.6 | Very low | 161 Ų | 161 | 146 Ų | 146 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -103.6 | 116.3 | 145 | -96.6 | 127 | 0 | 0 | 0 | 111.3 | R1186 | R1186-L1188 PolarHBondContact O-N 2.64Š| ||
| 1189 | H | 27.3 | Very low | 27.4 | Very low | 169.6 Ų | 169.6 | 144.7 Ų | 144.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -157.5 | 119.1 | 160.3 | -96 | -75.3 | 0 | 0 | 0 | 111.6 | N577 S1187 | N577-H1189 PolarHBondContact ND2-NE2 2.78Å; S1187-H1189 PolarHBondContact O-N 2.88Å; S1187-H1189 VanDerWaalsContact O-N 3.08Å | ||
| 1190 | S | 27.4 | Very low | 27.4 | Very low | 102.4 Ų | 102.4 | 141.2 Ų | 141.2 | 72% | 0.716 | 75% | 0.749 | S | S | * | * | trans | -151.5 | 141.3 | 144 | 62 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1191 | S | 27.6 | Very low | 27.4 | Very low | 100.6 Ų | 100.6 | 138.7 Ų | 138.7 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | -154.6 | 148 | 59.6 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | H1193 | S1191-H1193 PolarHBondContact O-N 3.02Š| |||
| 1192 | V | 27.4 | Very low | 27.6 | Very low | 121.8 Ų | 121.8 | 132.6 Ų | 132.6 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -138.3 | 134.1 | 171.3 | 176.9 | 0 | 0 | 0 | 0 | 113.9 | S1195 | V1192-S1195 PolarHBondContact O-OG 3.19Š| ||
| 1193 | H | 28.1 | Very low | 27.7 | Very low | 164.6 Ų | 164.6 | 133.8 Ų | 133.8 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | 93.2 | 107.7 | 172.8 | -72.5 | -62.9 | 0 | 0 | 0 | 115.7 | S1191 | S1191-H1193 PolarHBondContact O-N 3.02Š| ||
| 1194 | D | 24.7 | Very low | 27.9 | Very low | 129.6 Ų | 129.6 | 132.7 Ų | 132.7 | 69% | 0.693 | 71% | 0.71 | S | S | * | * | trans | -139.4 | 115.2 | -156.2 | -109.8 | -32.5 | 0 | 0 | 0 | 112.9 | F1196 R1197 | D1194-F1196 VanDerWaalsContact C-N 3.3Å; D1194-F1196 PolarHBondContact O-N 3.07Å; D1194-R1197 VanDerWaalsContact CG-NH2 3.35Å; D1194-R1197 IonicContact OD1-CZ 3.29Å; D1194-R1197 IonicContact OD1-NE 3.42Å; D1194-R1197 PolarHBondContact OD1-NE 3.29Å; D1194-R1197 IonicContact OD1-NH2 2.67Å; D1194-R1197 PolarHBondContact OD1-NH2 3.19Å; D1194-R1197 IonicContact OD2-CZ 2.65Å; D1194-R1197 IonicContact OD2-NE 3.56Å; D1194-R1197 IonicContact OD2-NH2 3.65Å; D1194-R1197 PolarHBondContact OD2-NH2 3.02Å | ||
| 1195 | S | 25.7 | Very low | 28 | Very low | 91.4 Ų | 91.4 | 128.4 Ų | 128.4 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | trans | -78 | 66.6 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 116.5 | V1192 | V1192-S1195 PolarHBondContact O-OG 3.19Š| ||
| 1196 | F | 27.3 | Very low | 28.4 | Very low | 179.4 Ų | 179.4 | 121.9 Ų | 121.9 | 79% | 0.787 | 67% | 0.666 | S | S | * | * | trans | -133.4 | 104.4 | 145.7 | -92.1 | -74.1 | 0 | 0 | 0 | 112.2 | D736 D888 D1194 L1198 | D736-F1196 VanDerWaalsContact OD1-CD2 3.24Å; D736-F1196 WeakPolarHBondContact OD1-CD2 3.26Å; D888-F1196 WeakPolarHBondContact OD1-CE1 3.33Å; D888-F1196 WeakPolarHBondContact OD1-CZ 3.48Å; D1194-F1196 VanDerWaalsContact C-N 3.3Å; D1194-F1196 PolarHBondContact O-N 3.07Å; F1196-L1198 PolarHBondContact O-N 2.95Å | ||
| 1197 | R | 25.7 | Very low | 28.6 | Very low | 207.8 Ų | 207.8 | 111.8 Ų | 111.8 | 78% | 0.784 | 63% | 0.632 | S | S | * | * | trans | -102.6 | 110.4 | 178 | -70.7 | -173.6 | 176.2 | -164 | -1.1 | 111.3 | D1194 S1199 G1200 | D1194-R1197 VanDerWaalsContact CG-NH2 3.35Å; D1194-R1197 IonicContact OD1-CZ 3.29Å; D1194-R1197 IonicContact OD1-NE 3.42Å; D1194-R1197 PolarHBondContact OD1-NE 3.29Å; D1194-R1197 IonicContact OD1-NH2 2.67Å; D1194-R1197 PolarHBondContact OD1-NH2 3.19Å; D1194-R1197 IonicContact OD2-CZ 2.65Å; D1194-R1197 IonicContact OD2-NE 3.56Å; D1194-R1197 IonicContact OD2-NH2 3.65Å; D1194-R1197 PolarHBondContact OD2-NH2 3.02Å; R1197-S1199 WeakPolarHBondContact CB-OG 3.33Å; R1197-S1199 PolarHBondContact O-N 3.13Å; R1197-S1199 PolarHBondContact O-OG 3.27Å; R1197-G1200 PolarHBondContact O-N 3.22Å | ||
| 1198 | L | 29 | Very low | 29.1 | Very low | 127.6 Ų | 127.6 | 109.6 Ų | 109.6 | 67% | 0.668 | 62% | 0.615 | S | S | * | * | trans | -86.8 | 67.6 | 166.4 | -90.8 | 128.8 | 0 | 0 | 0 | 110.7 | Y974 F1196 G1200 V1201 S1202 | Y974-L1198 HydrophobicContact CD2-CD2 4.13Å; Y974-L1198 HydrophobicContact CE2-CD2 3.29Å; F1196-L1198 PolarHBondContact O-N 2.95Å; L1198-G1200 VanDerWaalsContact C-N 3.33Å; L1198-G1200 PolarHBondContact O-N 2.98Å; L1198-G1200 VanDerWaalsContact O-N 3.12Å; L1198-V1201 PolarHBondContact O-N 3.47Å; L1198-S1202 PolarHBondContact O-N 2.87Å; L1198-S1202 PolarHBondContact O-OG 3.35Å | ||
| 1199 | S | 25.9 | Very low | 29.7 | Very low | 97.8 Ų | 97.8 | 105.4 Ų | 105.4 | 68% | 0.684 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 89.1 | 161.3 | 57 | 0 | 0 | 0 | 0 | 112 | R1197 S1202 | R1197-S1199 WeakPolarHBondContact CB-OG 3.33Å; R1197-S1199 PolarHBondContact O-N 3.13Å; R1197-S1199 PolarHBondContact O-OG 3.27Å; S1199-S1202 PolarHBondContact O-OG 3.39Å |
| 1200 | G | 28.8 | Very low | 30.4 | Very low | 57.6 Ų | 57.6 | 105.9 Ų | 105.9 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.3 | -48.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1197 L1198 F1204 | R1197-G1200 PolarHBondContact O-N 3.22Å; L1198-G1200 VanDerWaalsContact C-N 3.33Å; L1198-G1200 PolarHBondContact O-N 2.98Å; L1198-G1200 VanDerWaalsContact O-N 3.12Å; G1200-F1204 WeakPolarHBondContact O-CE2 3.49Å |
| 1201 | V | 31 | Very low | 31.1 | Very low | 103.4 Ų | 103.4 | 103.5 Ų | 103.5 | 63% | 0.627 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -101.3 | -26.5 | -166.4 | -169.2 | 0 | 0 | 0 | 0 | 113.7 | L1198 N1203 F1204 I1205 | L1198-V1201 PolarHBondContact O-N 3.47Å; V1201-N1203 VanDerWaalsContact C-N 3.29Å; V1201-N1203 PolarHBondContact O-N 3.33Å; V1201-N1203 VanDerWaalsContact O-N 3.11Å; V1201-F1204 WeakPolarHBondContact O-CB 3.21Å; V1201-F1204 PolarHBondContact O-N 3.05Å; V1201-F1204 VanDerWaalsContact O-N 3.11Å; V1201-I1205 HydrophobicContact CG1-CD1 4.35Å |
| 1202 | S | 30.4 | Very low | 31.6 | Very low | 63.2 Ų | 63.2 | 102 Ų | 102 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -11.9 | -169.7 | 54 | 0 | 0 | 0 | 0 | 116.4 | L1198 S1199 F1204 I1205 L1235 | L1198-S1202 PolarHBondContact O-N 2.87Å; L1198-S1202 PolarHBondContact O-OG 3.35Å; S1199-S1202 PolarHBondContact O-OG 3.39Å; S1202-F1204 VanDerWaalsContact C-N 3.34Å; S1202-F1204 PolarHBondContact O-N 2.92Å; S1202-I1205 PolarHBondContact O-N 3.08Å; S1202-L1235 WeakPolarHBondContact O-CD1 3.49Å |
| 1203 | N | 30.9 | Very low | 32.1 | Very low | 134.4 Ų | 134.4 | 98.3 Ų | 98.3 | 72% | 0.719 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.1 | -173 | -75 | 0.9 | 0 | 0 | 0 | 115 | V1201 | V1201-N1203 VanDerWaalsContact C-N 3.29Å; V1201-N1203 PolarHBondContact O-N 3.33Å; V1201-N1203 VanDerWaalsContact O-N 3.11Å |
| 1204 | F | 32.9 | Very low | 32.7 | Very low | 107 Ų | 107 | 96.6 Ų | 96.6 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | trans | -90.7 | -13.4 | -173.3 | -85.3 | -86.4 | 0 | 0 | 0 | 115.8 | G1200 V1201 S1202 A1206 A1207 G1232 L1233 L1235 | G1200-F1204 WeakPolarHBondContact O-CE2 3.49Å; V1201-F1204 WeakPolarHBondContact O-CB 3.21Å; V1201-F1204 PolarHBondContact O-N 3.05Å; V1201-F1204 VanDerWaalsContact O-N 3.11Å; S1202-F1204 VanDerWaalsContact C-N 3.34Å; S1202-F1204 PolarHBondContact O-N 2.92Å; F1204-A1206 PolarHBondContact O-N 3.38Å; F1204-A1207 WeakPolarHBondContact O-CB 3.35Å; F1204-G1232 VanDerWaalsContact CE1-C 3.49Å; F1204-L1233 WeakPolarHBondContact CD1-O 3.43Å; F1204-L1233 VanDerWaalsContact CE1-O 3.22Å; F1204-L1233 WeakPolarHBondContact CE1-O 3.42Å; F1204-L1233 HydrophobicContact CZ-CB 4.22Å; F1204-L1233 WeakPolarHBondContact CZ-O 3.47Å; F1204-L1235 HydrophobicContact CB-CD1 4.27Å; F1204-L1235 HydrophobicContact CD1-CD1 3.9Å; F1204-L1235 HydrophobicContact CD1-CD2 4.14Å; F1204-L1235 HydrophobicContact CD1-CG 3.87Å; F1204-L1235 HydrophobicContact CE1-CD2 4.32Å; F1204-L1235 HydrophobicContact CE1-CG 4.1Å; F1204-L1235 HydrophobicContact CG-CD1 4.37Å; F1204-L1235 VanDerWaalsContact O-CD1 3.28Å; F1204-L1235 WeakPolarHBondContact O-CD1 3.33Å | ||
| 1205 | I | 33.1 | Very low | 33.3 | Very low | 45.6 Ų | 45.6 | 92.9 Ų | 92.9 | 23% | 0.234 | 51% | 0.505 | C | S | . | . | trans | -99.4 | 78.7 | -168.4 | -57.3 | 177.1 | 0 | 0 | 0 | 111.6 | E978 R1094 V1201 S1202 A1207 R1212 L1215 L1217 | E978-I1205 HydrophobicContact CG-CD1 4.19Å; E978-I1205 WeakPolarHBondContact OE1-CG1 3.4Å; E978-I1205 WeakPolarHBondContact OE1-CG2 3.4Å; R1094-I1205 VanDerWaalsContact CZ-CG2 3.48Å; R1094-I1205 VanDerWaalsContact NE-CG2 3.29Å; R1094-I1205 VanDerWaalsContact NH1-CD1 3.28Å; V1201-I1205 HydrophobicContact CG1-CD1 4.35Å; S1202-I1205 PolarHBondContact O-N 3.08Å; I1205-A1207 HydrophobicContact CG2-CB 4.38Å; I1205-A1207 PolarHBondContact O-N 3.32Å; I1205-R1212 PolarHBondContact O-NE 3.38Å; I1205-R1212 PolarHBondContact O-NH1 3.41Å; I1205-R1212 PolarHBondContact O-NH2 2.95Å; I1205-L1215 HydrophobicContact CG2-CD1 4.49Å; I1205-L1217 HydrophobicContact CB-CD1 3.99Å; I1205-L1217 HydrophobicContact CD1-CD1 3.48Å; I1205-L1217 HydrophobicContact CD1-CD2 4.01Å; I1205-L1217 HydrophobicContact CD1-CG 4.39Å; I1205-L1217 HydrophobicContact CG1-CD1 4.3Å; I1205-L1217 HydrophobicContact CG2-CD1 3.73Å | ||
| 1206 | A | 32.9 | Very low | 33.7 | Very low | 63 Ų | 63 | 90.9 Ų | 90.9 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | trans | -83.5 | 58.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1090 R1094 F1204 V1208 S1209 | S1090-A1206 PolarHBondContact OG-O 2.81Å; R1094-A1206 VanDerWaalsContact NH2-C 3.35Å; R1094-A1206 PolarHBondContact NH2-O 3.15Å; F1204-A1206 PolarHBondContact O-N 3.38Å; A1206-V1208 PolarHBondContact O-N 3.12Å; A1206-S1209 PolarHBondContact O-OG 2.98Å | ||
| 1207 | A | 33.1 | Very low | 34.2 | Very low | 21.6 Ų | 21.6 | 85.6 Ų | 85.6 | 18% | 0.179 | 48% | 0.478 | C | S | . | . | trans | -77 | 152.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y974 Y1158 F1204 I1205 S1209 W1210 R1211 R1212 | Y974-A1207 HydrophobicContact CE1-CB 4.5Å; Y974-A1207 HydrophobicContact CE2-CB 3.88Å; Y1158-A1207 HydrophobicContact CE1-CB 4.32Å; F1204-A1207 WeakPolarHBondContact O-CB 3.35Å; I1205-A1207 HydrophobicContact CG2-CB 4.38Å; I1205-A1207 PolarHBondContact O-N 3.32Å; A1207-S1209 PolarHBondContact O-N 3.25Å; A1207-S1209 VanDerWaalsContact O-N 3.14Å; A1207-W1210 HydrophobicContact CB-CH2 3.58Å; A1207-W1210 HydrophobicContact CB-CZ2 3.34Å; A1207-W1210 HydrophobicContact CB-CZ3 4.34Å; A1207-W1210 PolarHBondContact O-N 3.45Å; A1207-W1210 PolarHBondContact O-NE1 2.99Å; A1207-R1211 HydrophobicContact CB-CB 4.23Å; A1207-R1212 HydrophobicContact CB-CB 4.4Å; A1207-R1212 HydrophobicContact CB-CG 4.22Å; A1207-R1212 WeakPolarHBondContact O-CD 3.36Å; A1207-R1212 WeakPolarHBondContact O-CG 3.36Å; A1207-R1212 PolarHBondContact O-NE 3Å | ||
| 1208 | V | 36.5 | Very low | 34.7 | Very low | 53 Ų | 53 | 80.4 Ų | 80.4 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | trans | -63.3 | 113.9 | -178.5 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | D1086 D1087 R1161 A1206 W1210 R1211 R1212 | D1086-V1208 HydrophobicContact CB-CG2 4.21Å; D1087-V1208 WeakPolarHBondContact OD1-CB 3.1Å; D1087-V1208 VanDerWaalsContact OD1-CG2 3.26Å; D1087-V1208 WeakPolarHBondContact OD1-CG2 3.37Å; R1161-V1208 VanDerWaalsContact NH1-CG2 3.28Å; A1206-V1208 PolarHBondContact O-N 3.12Å; V1208-W1210 VanDerWaalsContact C-N 3.26Å; V1208-W1210 HydrophobicContact CG1-CB 4.47Å; V1208-W1210 HydrophobicContact CG1-CD2 4.18Å; V1208-W1210 HydrophobicContact CG1-CE3 4.32Å; V1208-W1210 HydrophobicContact CG1-CG 4.42Å; V1208-W1210 HydrophobicContact CG1-CH2 4.38Å; V1208-W1210 HydrophobicContact CG1-CZ2 4.15Å; V1208-W1210 PolarHBondContact O-N 3.24Å; V1208-W1210 VanDerWaalsContact O-N 3.07Å; V1208-R1211 PolarHBondContact O-N 3.14Å; V1208-R1211 VanDerWaalsContact O-N 3.11Å; V1208-R1212 PolarHBondContact O-N 3.22Å | ||
| 1209 | S | 38.6 | Very low | 34.9 | Very low | 72.4 Ų | 72.4 | 77.6 Ų | 77.6 | 51% | 0.506 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.5 | -27.8 | -176.9 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | D1087 A1206 A1207 R1211 R1212 G1213 | D1087-S1209 WeakPolarHBondContact OD1-CB 3.32Å; D1087-S1209 PolarHBondContact OD1-OG 2.72Å; A1206-S1209 PolarHBondContact O-OG 2.98Å; A1207-S1209 PolarHBondContact O-N 3.25Å; A1207-S1209 VanDerWaalsContact O-N 3.14Å; S1209-R1211 PolarHBondContact O-N 3.17Å; S1209-R1211 VanDerWaalsContact O-N 3.14Å; S1209-R1212 PolarHBondContact O-N 3.39Å; S1209-G1213 PolarHBondContact O-N 3.06Å |
| 1210 | W | 41.9 | Very low | 35.1 | Very low | 179 Ų | 179 | 80.3 Ų | 80.3 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.6 | -34 | 178.7 | 7.7 | 73.3 | 0 | 0 | 0 | 113.3 | A1207 V1208 R1212 G1213 F1214 | A1207-W1210 HydrophobicContact CB-CH2 3.58Å; A1207-W1210 HydrophobicContact CB-CZ2 3.34Å; A1207-W1210 HydrophobicContact CB-CZ3 4.34Å; A1207-W1210 PolarHBondContact O-N 3.45Å; A1207-W1210 PolarHBondContact O-NE1 2.99Å; V1208-W1210 VanDerWaalsContact C-N 3.26Å; V1208-W1210 HydrophobicContact CG1-CB 4.47Å; V1208-W1210 HydrophobicContact CG1-CD2 4.18Å; V1208-W1210 HydrophobicContact CG1-CE3 4.32Å; V1208-W1210 HydrophobicContact CG1-CG 4.42Å; V1208-W1210 HydrophobicContact CG1-CH2 4.38Å; V1208-W1210 HydrophobicContact CG1-CZ2 4.15Å; V1208-W1210 PolarHBondContact O-N 3.24Å; V1208-W1210 VanDerWaalsContact O-N 3.07Å; W1210-R1212 VanDerWaalsContact C-N 3.31Å; W1210-R1212 PolarHBondContact O-N 3.22Å; W1210-G1213 WeakPolarHBondContact O-CA 3.49Å; W1210-G1213 PolarHBondContact O-N 2.93Å; W1210-G1213 VanDerWaalsContact O-N 3.13Å; W1210-F1214 WeakPolarHBondContact O-CB 3.43Å; W1210-F1214 WeakPolarHBondContact O-CD2 3.32Å; W1210-F1214 PolarHBondContact O-N 2.94Å |
| 1211 | R | 42 | Very low | 35.1 | Very low | 53 Ų | 53 | 82.7 Ų | 82.7 | 20% | 0.2 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.7 | -31.5 | 176.9 | -66.5 | -173 | -170.6 | -108.5 | -2.3 | 112.6 | S902 N967 S970 D1087 A1207 V1208 S1209 G1213 F1214 L1215 D1237 | S902-R1211 VanDerWaalsContact CA-NH2 3.32Å; S902-R1211 PolarHBondContact O-NH2 3Å; N967-R1211 VanDerWaalsContact OD1-CZ 3.24Å; N967-R1211 PolarHBondContact OD1-NH1 3.22Å; N967-R1211 PolarHBondContact OD1-NH2 3.26Å; S970-R1211 PolarHBondContact OG-NH1 3.06Å; D1087-R1211 IonicContact OD1-NE 3.86Å; D1087-R1211 IonicContact OD2-CZ 3.29Å; D1087-R1211 IonicContact OD2-NE 3.23Å; D1087-R1211 PolarHBondContact OD2-NE 3.06Å; D1087-R1211 IonicContact OD2-NH2 3.02Å; D1087-R1211 PolarHBondContact OD2-NH2 3.27Å; A1207-R1211 HydrophobicContact CB-CB 4.23Å; V1208-R1211 PolarHBondContact O-N 3.14Å; V1208-R1211 VanDerWaalsContact O-N 3.11Å; S1209-R1211 PolarHBondContact O-N 3.17Å; S1209-R1211 VanDerWaalsContact O-N 3.14Å; R1211-G1213 VanDerWaalsContact C-N 3.28Å; R1211-G1213 PolarHBondContact O-N 3.35Å; R1211-F1214 PolarHBondContact O-N 3.02Å; R1211-L1215 WeakPolarHBondContact O-CB 3.34Å; R1211-L1215 WeakPolarHBondContact O-CD1 3.34Å; R1211-L1215 VanDerWaalsContact O-CG 3.24Å; R1211-L1215 WeakPolarHBondContact O-CG 3.32Å; R1211-L1215 PolarHBondContact O-N 3.3Å; R1211-L1215 VanDerWaalsContact O-N 3.12Å; R1211-D1237 IonicContact NH1-OD2 2.83Å; R1211-D1237 PolarHBondContact NH1-OD2 3.03Å |
| 1212 | R | 38.1 | Very low | 35 | Very low | 69.4 Ų | 69.4 | 87.2 Ų | 87.2 | 26% | 0.262 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.5 | -34.8 | 175.4 | -91.7 | -172.9 | -172.8 | -104.4 | 0.6 | 113 | Y974 E978 S985 I1205 A1207 V1208 S1209 W1210 F1214 L1215 G1216 L1217 T1218 L1233 | Y974-R1212 HydrophobicContact CE2-CG 4.45Å; E978-R1212 IonicContact OE1-CZ 3.62Å; E978-R1212 IonicContact OE1-NH1 3.8Å; E978-R1212 PolarHBondContact OE1-NH1 2.87Å; E978-R1212 IonicContact OE1-NH2 3.41Å; E978-R1212 PolarHBondContact OE1-NH2 3.41Å; S985-R1212 PolarHBondContact O-NE 3.29Å; S985-R1212 PolarHBondContact O-NH2 3.18Å; S985-R1212 PolarHBondContact OG-NE 2.71Å; I1205-R1212 PolarHBondContact O-NE 3.38Å; I1205-R1212 PolarHBondContact O-NH1 3.41Å; I1205-R1212 PolarHBondContact O-NH2 2.95Å; A1207-R1212 HydrophobicContact CB-CB 4.4Å; A1207-R1212 HydrophobicContact CB-CG 4.22Å; A1207-R1212 WeakPolarHBondContact O-CD 3.36Å; A1207-R1212 WeakPolarHBondContact O-CG 3.36Å; A1207-R1212 PolarHBondContact O-NE 3Å; V1208-R1212 PolarHBondContact O-N 3.22Å; S1209-R1212 PolarHBondContact O-N 3.39Å; W1210-R1212 VanDerWaalsContact C-N 3.31Å; W1210-R1212 PolarHBondContact O-N 3.22Å; R1212-F1214 VanDerWaalsContact C-N 3.35Å; R1212-F1214 PolarHBondContact O-N 3.4Å; R1212-L1215 PolarHBondContact O-N 3.31Å; R1212-G1216 PolarHBondContact O-N 3.01Å; R1212-G1216 VanDerWaalsContact O-N 3.1Å; R1212-L1217 VanDerWaalsContact CD-O 3.27Å; R1212-L1217 WeakPolarHBondContact CD-O 3.36Å; R1212-L1217 HydrophobicContact CG-CB 3.75Å; R1212-L1217 WeakPolarHBondContact CG-O 3.18Å; R1212-L1217 PolarHBondContact NH1-O 2.87Å; R1212-L1217 PolarHBondContact O-N 3.11Å; R1212-T1218 HydrophobicContact CB-CG2 3.92Å; R1212-L1233 PolarHBondContact NH1-O 3.18Å |
| 1213 | G | 37.6 | Very low | 35 | Very low | 42.6 Ų | 42.6 | 91.2 Ų | 91.2 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1209 W1210 R1211 L1215 G1216 | S1209-G1213 PolarHBondContact O-N 3.06Å; W1210-G1213 WeakPolarHBondContact O-CA 3.49Å; W1210-G1213 PolarHBondContact O-N 2.93Å; W1210-G1213 VanDerWaalsContact O-N 3.13Å; R1211-G1213 VanDerWaalsContact C-N 3.28Å; R1211-G1213 PolarHBondContact O-N 3.35Å; G1213-L1215 VanDerWaalsContact C-N 3.28Å; G1213-L1215 PolarHBondContact O-N 3.02Å; G1213-L1215 VanDerWaalsContact O-N 3.08Å; G1213-G1216 WeakPolarHBondContact O-CA 3.34Å; G1213-G1216 PolarHBondContact O-N 3.19Å |
| 1214 | F | 41 | Very low | 34.9 | Very low | 130.2 Ų | 130.2 | 87.6 Ų | 87.6 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -24.4 | 179.8 | -112.8 | -89.7 | 0 | 0 | 0 | 114.2 | F735 D888 W1210 R1211 R1212 G1216 | F735-F1214 HydrophobicContact CD1-CE1 4.49Å; F735-F1214 HydrophobicContact CE1-CE1 4.21Å; D888-F1214 HydrophobicContact CB-CE1 4.21Å; D888-F1214 WeakPolarHBondContact OD1-CE1 3.09Å; W1210-F1214 WeakPolarHBondContact O-CB 3.43Å; W1210-F1214 WeakPolarHBondContact O-CD2 3.32Å; W1210-F1214 PolarHBondContact O-N 2.94Å; R1211-F1214 PolarHBondContact O-N 3.02Å; R1212-F1214 VanDerWaalsContact C-N 3.35Å; R1212-F1214 PolarHBondContact O-N 3.4Å; F1214-G1216 VanDerWaalsContact C-N 3.3Å; F1214-G1216 PolarHBondContact O-N 3Å |
| 1215 | L | 36.3 | Very low | 34.5 | Very low | 52 Ų | 52 | 90.8 Ų | 90.8 | 27% | 0.272 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 4.3 | 175.2 | -71.2 | 171.3 | 0 | 0 | 0 | 114 | F735 A891 C894 R895 V1047 I1205 R1211 R1212 G1213 L1217 | F735-L1215 HydrophobicContact CZ-CD2 4.46Å; A891-L1215 HydrophobicContact CB-CD2 4.33Å; A891-L1215 WeakPolarHBondContact O-CD2 3.27Å; C894-L1215 HydrophobicContact CB-CD2 4.28Å; R895-L1215 HydrophobicContact CB-CD2 4.2Å; R895-L1215 VanDerWaalsContact CD-C 3.48Å; R895-L1215 VanDerWaalsContact CD-O 3.32Å; R895-L1215 WeakPolarHBondContact CD-O 3.23Å; R895-L1215 WeakPolarHBondContact CG-O 3.36Å; V1047-L1215 HydrophobicContact CG2-CD1 4.15Å; V1047-L1215 HydrophobicContact CG2-CD2 3.9Å; I1205-L1215 HydrophobicContact CG2-CD1 4.49Å; R1211-L1215 WeakPolarHBondContact O-CB 3.34Å; R1211-L1215 WeakPolarHBondContact O-CD1 3.34Å; R1211-L1215 VanDerWaalsContact O-CG 3.24Å; R1211-L1215 WeakPolarHBondContact O-CG 3.32Å; R1211-L1215 PolarHBondContact O-N 3.3Å; R1211-L1215 VanDerWaalsContact O-N 3.12Å; R1212-L1215 PolarHBondContact O-N 3.31Å; G1213-L1215 VanDerWaalsContact C-N 3.28Å; G1213-L1215 PolarHBondContact O-N 3.02Å; G1213-L1215 VanDerWaalsContact O-N 3.08Å; L1215-L1217 VanDerWaalsContact C-N 3.3Å; L1215-L1217 HydrophobicContact CB-CD1 3.91Å; L1215-L1217 HydrophobicContact CB-CG 4.06Å; L1215-L1217 HydrophobicContact CD1-CD1 4.33Å; L1215-L1217 WeakPolarHBondContact O-CD2 3.26Å; L1215-L1217 WeakPolarHBondContact O-CG 3.49Å; L1215-L1217 PolarHBondContact O-N 3.28Å |
| 1216 | G | 35.2 | Very low | 34.3 | Very low | 48.8 Ų | 48.8 | 93.2 Ų | 93.2 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 68.4 | 17.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1212 G1213 F1214 T1218 R1441 | R1212-G1216 PolarHBondContact O-N 3.01Å; R1212-G1216 VanDerWaalsContact O-N 3.1Å; G1213-G1216 WeakPolarHBondContact O-CA 3.34Å; G1213-G1216 PolarHBondContact O-N 3.19Å; F1214-G1216 VanDerWaalsContact C-N 3.3Å; F1214-G1216 PolarHBondContact O-N 3Å; G1216-T1218 VanDerWaalsContact C-N 3.28Å; G1216-T1218 PolarHBondContact O-N 3.25Å; G1216-T1218 VanDerWaalsContact O-N 3.1Å; G1216-R1441 PolarHBondContact O-NH2 2.98Å |
| 1217 | L | 37.4 | Very low | 33.9 | Very low | 68.2 Ų | 68.2 | 97.3 Ų | 97.3 | 36% | 0.357 | 57% | 0.569 | S | S | . | * | trans | -95.7 | 34.5 | -172.2 | -65 | 171.7 | 0 | 0 | 0 | 113.1 | E978 I1205 R1212 L1215 G1219 | E978-L1217 HydrophobicContact CG-CD1 4.33Å; I1205-L1217 HydrophobicContact CB-CD1 3.99Å; I1205-L1217 HydrophobicContact CD1-CD1 3.48Å; I1205-L1217 HydrophobicContact CD1-CD2 4.01Å; I1205-L1217 HydrophobicContact CD1-CG 4.39Å; I1205-L1217 HydrophobicContact CG1-CD1 4.3Å; I1205-L1217 HydrophobicContact CG2-CD1 3.73Å; R1212-L1217 VanDerWaalsContact CD-O 3.27Å; R1212-L1217 WeakPolarHBondContact CD-O 3.36Å; R1212-L1217 HydrophobicContact CG-CB 3.75Å; R1212-L1217 WeakPolarHBondContact CG-O 3.18Å; R1212-L1217 PolarHBondContact NH1-O 2.87Å; R1212-L1217 PolarHBondContact O-N 3.11Å; L1215-L1217 VanDerWaalsContact C-N 3.3Å; L1215-L1217 HydrophobicContact CB-CD1 3.91Å; L1215-L1217 HydrophobicContact CB-CG 4.06Å; L1215-L1217 HydrophobicContact CD1-CD1 4.33Å; L1215-L1217 WeakPolarHBondContact O-CD2 3.26Å; L1215-L1217 WeakPolarHBondContact O-CG 3.49Å; L1215-L1217 PolarHBondContact O-N 3.28Å; L1217-G1219 PolarHBondContact O-N 2.93Å | ||
| 1218 | T | 35.7 | Very low | 33.6 | Very low | 97.6 Ų | 97.6 | 104.7 Ų | 104.7 | 60% | 0.599 | 60% | 0.604 | S | S | * | * | trans | -105 | 97.9 | 172.2 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | R1212 G1216 D1220 | R1212-T1218 HydrophobicContact CB-CG2 3.92Å; G1216-T1218 VanDerWaalsContact C-N 3.28Å; G1216-T1218 PolarHBondContact O-N 3.25Å; G1216-T1218 VanDerWaalsContact O-N 3.1Å; T1218-D1220 PolarHBondContact O-N 3.31Å | ||
| 1219 | G | 33.1 | Very low | 33 | Very low | 69.2 Ų | 69.2 | 107.3 Ų | 107.3 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | trans | -73.8 | 117.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1217 S1221 | L1217-G1219 PolarHBondContact O-N 2.93Å; G1219-S1221 PolarHBondContact O-N 3.14Å | ||
| 1220 | D | 30.5 | Very low | 32.5 | Very low | 154.2 Ų | 154.2 | 108.9 Ų | 108.9 | 83% | 0.825 | 64% | 0.636 | S | S | * | * | trans | -73.8 | 129.9 | -179.1 | -121.3 | -21.5 | 0 | 0 | 0 | 111.7 | T1218 K1222 | T1218-D1220 PolarHBondContact O-N 3.31Å; D1220-K1222 VanDerWaalsContact C-N 3.28Å; D1220-K1222 PolarHBondContact O-N 3.16Å; D1220-K1222 VanDerWaalsContact O-N 3.16Å | ||
| 1221 | S | 29.2 | Very low | 31.7 | Very low | 109.4 Ų | 109.4 | 106.2 Ų | 106.2 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | trans | -84.7 | 88.7 | -170.7 | 57.3 | 0 | 0 | 0 | 0 | 113 | G1219 | G1219-S1221 PolarHBondContact O-N 3.14Š| ||
| 1222 | K | 28.7 | Very low | 31 | Very low | 196.6 Ų | 196.6 | 106.6 Ų | 106.6 | 86% | 0.855 | 66% | 0.663 | S | S | * | * | trans | -154.1 | 90.3 | 166.4 | -102.2 | 158.2 | -172.3 | 173.2 | 0 | 114.7 | D1220 | D1220-K1222 VanDerWaalsContact C-N 3.28Å; D1220-K1222 PolarHBondContact O-N 3.16Å; D1220-K1222 VanDerWaalsContact O-N 3.16Å | ||
| 1223 | V | 30.4 | Very low | 30.7 | Very low | 147.6 Ų | 147.6 | 109.9 Ų | 109.9 | 90% | 0.895 | 69% | 0.685 | S | S | * | * | trans | 159.1 | 136 | 162.4 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1224 | G | 27.9 | Very low | 30.3 | Very low | 58.8 Ų | 58.8 | 110 Ų | 110 | 61% | 0.606 | 69% | 0.686 | S | S | * | * | cis | 167.1 | 136.4 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1226 | G1224-S1226 PolarHBondContact O-N 2.75Š| ||
| 1225 | N | 25.2 | Very low | 30.1 | Very low | 174.4 Ų | 174.4 | 107.4 Ų | 107.4 | 93% | 0.933 | 68% | 0.677 | S | S | * | * | trans | -60.6 | 108.3 | -175.5 | -62.7 | -5.1 | 0 | 0 | 0 | 114.9 | ||||
| 1226 | S | 28.1 | Very low | 30.5 | Very low | 95.4 Ų | 95.4 | 107.8 Ų | 107.8 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | trans | -163.1 | 134.8 | 149.8 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | G1224 | G1224-S1226 PolarHBondContact O-N 2.75Š| ||
| 1227 | D | 25.3 | Very low | 31.3 | Very low | 150.6 Ų | 150.6 | 108.5 Ų | 108.5 | 81% | 0.805 | 67% | 0.668 | S | S | * | * | trans | 32.4 | 96.6 | 162 | -51.1 | -35.8 | 0 | 0 | 0 | 118.7 | S1229 | D1227-S1229 VanDerWaalsContact C-N 3.33Å; D1227-S1229 PolarHBondContact O-N 3.04Å; D1227-S1229 VanDerWaalsContact O-N 3.11Å | ||
| 1228 | L | 26.4 | Very low | 32.3 | Very low | 175.8 Ų | 175.8 | 106.9 Ų | 106.9 | 92% | 0.92 | 66% | 0.659 | S | S | * | * | trans | -108 | 93.6 | 161.2 | -92 | 99.9 | 0 | 0 | 0 | 111.6 | S1230 | L1228-S1230 PolarHBondContact O-N 2.87Š| ||
| 1229 | S | 25.1 | Very low | 33.6 | Very low | 108.6 Ų | 108.6 | 103.3 Ų | 103.3 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | trans | -119.4 | 62.1 | 175.6 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | D1227 | D1227-S1229 VanDerWaalsContact C-N 3.33Å; D1227-S1229 PolarHBondContact O-N 3.04Å; D1227-S1229 VanDerWaalsContact O-N 3.11Å | ||
| 1230 | S | 26.4 | Very low | 35.8 | Very low | 105.2 Ų | 105.2 | 100.2 Ų | 100.2 | 74% | 0.736 | 61% | 0.605 | S | S | * | * | trans | -154.4 | 111.9 | 161.4 | -32.2 | 0 | 0 | 0 | 0 | 111.5 | L1228 G1232 | L1228-S1230 PolarHBondContact O-N 2.87Å; S1230-G1232 PolarHBondContact O-N 3.2Å | ||
| 1231 | P | 26.9 | Very low | 38.3 | Very low | 122.2 Ų | 122.2 | 95 Ų | 95 | 79% | 0.794 | 57% | 0.574 | S | S | * | * | trans | -78.3 | 105.4 | 178.8 | 23.4 | -22.4 | 0 | 0 | 0 | 111.1 | L1233 | P1231-L1233 PolarHBondContact O-N 3.46Š| ||
| 1232 | G | 27.5 | Very low | 40.9 | Very low | 62.4 Ų | 62.4 | 95 Ų | 95 | 64% | 0.643 | 56% | 0.557 | S | S | * | * | trans | -17.8 | 117.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1204 S1230 G1234 | F1204-G1232 VanDerWaalsContact CE1-C 3.49Å; S1230-G1232 PolarHBondContact O-N 3.2Å; G1232-G1234 VanDerWaalsContact C-N 3.28Å; G1232-G1234 PolarHBondContact O-N 3.11Å | ||
| 1233 | L | 30 | Very low | 43.7 | Very low | 138.4 Ų | 138.4 | 85.6 Ų | 85.6 | 73% | 0.725 | 52% | 0.516 | S | S | * | . | trans | -68.1 | 79.6 | 174.1 | -96.8 | 72.7 | 0 | 0 | 0 | 111.4 | F1204 R1212 P1231 L1235 Y1236 | F1204-L1233 WeakPolarHBondContact CD1-O 3.43Å; F1204-L1233 VanDerWaalsContact CE1-O 3.22Å; F1204-L1233 WeakPolarHBondContact CE1-O 3.42Å; F1204-L1233 HydrophobicContact CZ-CB 4.22Å; F1204-L1233 WeakPolarHBondContact CZ-O 3.47Å; R1212-L1233 PolarHBondContact NH1-O 3.18Å; P1231-L1233 PolarHBondContact O-N 3.46Å; L1233-L1235 PolarHBondContact O-N 3.34Å; L1233-Y1236 HydrophobicContact CD2-CE2 3.55Å; L1233-Y1236 WeakPolarHBondContact CD2-OH 3.33Å; L1233-Y1236 HydrophobicContact CG-CE2 3.94Å; L1233-Y1236 WeakPolarHBondContact CG-OH 3.38Å | ||
| 1234 | G | 30.6 | Very low | 46.4 | Very low | 44.2 Ų | 44.2 | 78.7 Ų | 78.7 | 46% | 0.456 | 47% | 0.474 | S | S | . | . | trans | -76.7 | 123.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1232 Y1236 | G1232-G1234 VanDerWaalsContact C-N 3.28Å; G1232-G1234 PolarHBondContact O-N 3.11Å; G1234-Y1236 VanDerWaalsContact C-N 3.31Å; G1234-Y1236 VanDerWaalsContact O-CD2 3.23Å; G1234-Y1236 WeakPolarHBondContact O-CD2 3.43Å; G1234-Y1236 PolarHBondContact O-N 3.1Å | ||
| 1235 | L | 35.9 | Very low | 49.2 | Very low | 76.4 Ų | 76.4 | 77.2 Ų | 77.2 | 40% | 0.4 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -26.4 | 73 | 172.4 | -66.4 | 166.2 | 0 | 0 | 0 | 116.5 | H981 S1202 F1204 L1233 D1237 | H981-L1235 VanDerWaalsContact CE1-CD1 3.48Å; H981-L1235 WeakPolarHBondContact CE1-CD1 3.5Å; S1202-L1235 WeakPolarHBondContact O-CD1 3.49Å; F1204-L1235 HydrophobicContact CB-CD1 4.27Å; F1204-L1235 HydrophobicContact CD1-CD1 3.9Å; F1204-L1235 HydrophobicContact CD1-CD2 4.14Å; F1204-L1235 HydrophobicContact CD1-CG 3.87Å; F1204-L1235 HydrophobicContact CE1-CD2 4.32Å; F1204-L1235 HydrophobicContact CE1-CG 4.1Å; F1204-L1235 HydrophobicContact CG-CD1 4.37Å; F1204-L1235 VanDerWaalsContact O-CD1 3.28Å; F1204-L1235 WeakPolarHBondContact O-CD1 3.33Å; L1233-L1235 PolarHBondContact O-N 3.34Å; L1235-D1237 PolarHBondContact O-N 2.95Å |
| 1236 | Y | 44.5 | Very low | 52.2 | Low | 59.6 Ų | 59.6 | 70 Ų | 70 | 23% | 0.234 | 41% | 0.413 | C | S | . | . | trans | -119.6 | 66.7 | 176.2 | -68.2 | -74.7 | 0 | 0 | 0 | 113 | G1159 V1162 L1233 G1234 I1238 C1536 Y1537 N1538 | G1159-Y1236 VanDerWaalsContact C-OH 3.25Å; G1159-Y1236 VanDerWaalsContact O-CE1 3.24Å; G1159-Y1236 WeakPolarHBondContact O-CE1 3.47Å; G1159-Y1236 PolarHBondContact O-OH 2.85Å; V1162-Y1236 HydrophobicContact CB-CE2 4.03Å; V1162-Y1236 VanDerWaalsContact CB-OH 3.3Å; V1162-Y1236 WeakPolarHBondContact CB-OH 3.39Å; V1162-Y1236 HydrophobicContact CG1-CE2 4.14Å; V1162-Y1236 WeakPolarHBondContact CG1-OH 3.47Å; V1162-Y1236 HydrophobicContact CG2-CE2 3.69Å; V1162-Y1236 WeakPolarHBondContact CG2-OH 3.41Å; L1233-Y1236 HydrophobicContact CD2-CE2 3.55Å; L1233-Y1236 WeakPolarHBondContact CD2-OH 3.33Å; L1233-Y1236 HydrophobicContact CG-CE2 3.94Å; L1233-Y1236 WeakPolarHBondContact CG-OH 3.38Å; G1234-Y1236 VanDerWaalsContact C-N 3.31Å; G1234-Y1236 VanDerWaalsContact O-CD2 3.23Å; G1234-Y1236 WeakPolarHBondContact O-CD2 3.43Å; G1234-Y1236 PolarHBondContact O-N 3.1Å; Y1236-I1238 HydrophobicContact CG-CG1 4.47Å; Y1236-I1238 PolarHBondContact O-N 3.12Å; Y1236-C1536 WeakPolarHBondContact CB-O 3.45Å; Y1236-C1536 HydrophobicContact CD1-CB 4Å; Y1236-C1536 HydrophobicContact CD2-CB 4.2Å; Y1236-C1536 HydrophobicContact CE1-CB 4.14Å; Y1236-C1536 HydrophobicContact CE2-CB 4.11Å; Y1236-C1536 HydrophobicContact CG-CB 4.11Å; Y1236-Y1537 WeakPolarHBondContact O-CD1 3.49Å; Y1236-N1538 PolarHBondContact O-ND2 2.87Å | ||
| 1237 | D | 53.3 | Low | 55.1 | Low | 63.2 Ų | 63.2 | 65.5 Ų | 65.5 | 34% | 0.338 | 38% | 0.382 | S | S | . | . | trans | -114.4 | 104.3 | 160.2 | -81.2 | -26.5 | 0 | 0 | 0 | 108.1 | Q1097 R1211 L1235 P1239 N1538 | Q1097-D1237 PolarHBondContact NE2-O 3.23Å; Q1097-D1237 PolarHBondContact NE2-OD1 3.1Å; R1211-D1237 IonicContact NH1-OD2 2.83Å; R1211-D1237 PolarHBondContact NH1-OD2 3.03Å; L1235-D1237 PolarHBondContact O-N 2.95Å; D1237-P1239 VanDerWaalsContact O-CD 3.23Å; D1237-P1239 WeakPolarHBondContact O-CD 3.45Å; D1237-N1538 WeakPolarHBondContact OD1-CB 3.32Å; D1237-N1538 PolarHBondContact OD1-N 3.26Å; D1237-N1538 PolarHBondContact OD1-ND2 2.76Å; D1237-N1538 VanDerWaalsContact OD2-CA 3.26Å; D1237-N1538 WeakPolarHBondContact OD2-CA 3.46Å; D1237-N1538 WeakPolarHBondContact OD2-CB 3.27Å; D1237-N1538 PolarHBondContact OD2-N 3.42Å; D1237-N1538 PolarHBondContact OD2-ND2 2.99Å | ||
| 1238 | I | 57.4 | Low | 58.1 | Low | 35.4 Ų | 35.4 | 58.3 Ų | 58.3 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | trans | -110 | 97.6 | 176 | -55 | -179.4 | 0 | 0 | 0 | 107.6 | V1093 H1096 Q1097 I1121 L1155 Y1236 F1240 R1324 Y1537 | V1093-I1238 HydrophobicContact CG1-CD1 3.28Å; V1093-I1238 HydrophobicContact CG1-CG2 4.14Å; H1096-I1238 PolarHBondContact CE1-O 3Å; H1096-I1238 PolarHBondContact ND1-O 3.39Å; Q1097-I1238 VanDerWaalsContact CD-CD1 3.42Å; Q1097-I1238 HydrophobicContact CG-CD1 3.99Å; Q1097-I1238 HydrophobicContact CG-CG1 3.9Å; Q1097-I1238 HydrophobicContact CG-CG2 4.28Å; I1121-I1238 WeakPolarHBondContact O-CG2 3.17Å; L1155-I1238 HydrophobicContact CB-CD1 4.36Å; L1155-I1238 HydrophobicContact CD1-CG2 4.03Å; L1155-I1238 HydrophobicContact CD2-CD1 4.32Å; Y1236-I1238 HydrophobicContact CG-CG1 4.47Å; Y1236-I1238 PolarHBondContact O-N 3.12Å; I1238-F1240 VanDerWaalsContact C-N 3.29Å; I1238-F1240 HydrophobicContact CG2-CD2 4.11Å; I1238-F1240 HydrophobicContact CG2-CE2 4.36Å; I1238-F1240 PolarHBondContact O-N 3.36Å; I1238-R1324 VanDerWaalsContact CD1-CZ 3.43Å; I1238-Y1537 HydrophobicContact CD1-CE1 4.48Å | ||
| 1239 | P | 63.9 | Low | 61 | Low | 21.4 Ų | 21.4 | 52.4 Ų | 52.4 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | trans | -96 | 65.4 | -165.3 | 22.5 | -12.8 | 0 | 0 | 0 | 113 | H1096 I1121 E1126 D1237 Y1241 | H1096-P1239 HydrophobicContact CB-CG 4.48Å; H1096-P1239 VanDerWaalsContact CE1-CB 3.46Å; H1096-P1239 WeakPolarHBondContact CE1-CB 3.31Å; H1096-P1239 WeakPolarHBondContact CE1-CG 3.43Å; H1096-P1239 PolarHBondContact CE1-O 3.43Å; H1096-P1239 WeakPolarHBondContact ND1-CG 3.36Å; H1096-P1239 WeakPolarHBondContact NE2-CG 3.3Å; H1096-P1239 PolarHBondContact NE2-O 2.91Å; I1121-P1239 HydrophobicContact CG2-CB 3.94Å; I1121-P1239 HydrophobicContact CG2-CG 3.75Å; I1121-P1239 VanDerWaalsContact O-CG 3.27Å; I1121-P1239 WeakPolarHBondContact O-CG 3.41Å; E1126-P1239 VanDerWaalsContact OE1-O 3.11Å; D1237-P1239 VanDerWaalsContact O-CD 3.23Å; D1237-P1239 WeakPolarHBondContact O-CD 3.45Å; P1239-Y1241 VanDerWaalsContact C-N 3.31Å; P1239-Y1241 HydrophobicContact CB-CD1 4.34Å; P1239-Y1241 HydrophobicContact CB-CD2 3.59Å; P1239-Y1241 HydrophobicContact CB-CE1 4.22Å; P1239-Y1241 HydrophobicContact CB-CE2 3.83Å; P1239-Y1241 HydrophobicContact CB-CG 4.27Å; P1239-Y1241 HydrophobicContact CG-CD1 3.62Å; P1239-Y1241 HydrophobicContact CG-CD2 3.64Å; P1239-Y1241 HydrophobicContact CG-CE1 3.33Å; P1239-Y1241 HydrophobicContact CG-CE2 3.36Å; P1239-Y1241 HydrophobicContact CG-CG 3.76Å; P1239-Y1241 PolarHBondContact O-N 2.97Å | ||
| 1240 | F | 79.4 | Confident | 63.8 | Low | 4.8 Ų | 4.8 | 47.7 Ų | 47.7 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -87.1 | 41.6 | 171.3 | -63.7 | -72.2 | 0 | 0 | 0 | 112 | L1092 H1096 E1126 I1129 F1148 L1151 L1155 I1238 R1242 C1243 T1244 | L1092-F1240 HydrophobicContact CD2-CE1 4.34Å; L1092-F1240 HydrophobicContact CD2-CZ 4.02Å; H1096-F1240 HydrophobicContact CB-CE1 4.49Å; H1096-F1240 HydrophobicContact CB-CZ 4.19Å; H1096-F1240 AromaticContact CD2-CD1 3.91Å; H1096-F1240 AromaticContact CD2-CE1 3.37Å; H1096-F1240 WeakPolarHBondContact CD2-CE1 3.34Å; H1096-F1240 AromaticContact CD2-CZ 3.75Å; H1096-F1240 AromaticContact CE1-CE1 3.83Å; H1096-F1240 AromaticContact CG-CE1 3.87Å; H1096-F1240 AromaticContact CG-CZ 3.78Å; H1096-F1240 AromaticContact ND1-CE1 3.71Å; H1096-F1240 AromaticContact NE2-CD1 3.83Å; H1096-F1240 AromaticContact NE2-CE1 3.73Å; E1126-F1240 HydrophobicContact CB-CD1 4.18Å; E1126-F1240 HydrophobicContact CB-CE1 4.26Å; E1126-F1240 HydrophobicContact CG-CD1 4.26Å; E1126-F1240 VanDerWaalsContact OE1-C 3.25Å; E1126-F1240 VanDerWaalsContact OE1-CA 3.28Å; E1126-F1240 WeakPolarHBondContact OE1-CA 3.35Å; I1129-F1240 HydrophobicContact CD1-CD1 4.36Å; I1129-F1240 HydrophobicContact CD1-CE1 3.75Å; I1129-F1240 HydrophobicContact CD1-CZ 4.43Å; F1148-F1240 HydrophobicContact CE2-CB 3.78Å; F1148-F1240 HydrophobicContact CE2-CD1 4.39Å; F1148-F1240 HydrophobicContact CE2-CD2 4.43Å; F1148-F1240 AromaticContact CE2-CG 3.97Å; F1148-F1240 HydrophobicContact CE2-CG 4.06Å; F1148-F1240 HydrophobicContact CZ-CB 3.9Å; L1151-F1240 HydrophobicContact CD2-CD2 4.39Å; L1151-F1240 HydrophobicContact CD2-CE2 4.17Å; L1151-F1240 HydrophobicContact CD2-CZ 4.26Å; L1155-F1240 HydrophobicContact CD1-CD2 4.31Å; L1155-F1240 HydrophobicContact CD1-CE2 4.41Å; I1238-F1240 VanDerWaalsContact C-N 3.29Å; I1238-F1240 HydrophobicContact CG2-CD2 4.11Å; I1238-F1240 HydrophobicContact CG2-CE2 4.36Å; I1238-F1240 PolarHBondContact O-N 3.36Å; F1240-R1242 VanDerWaalsContact C-N 3.33Å; F1240-R1242 PolarHBondContact O-N 3.07Å; F1240-C1243 HydrophobicContact CB-CB 4.39Å; F1240-C1243 PolarHBondContact O-N 3.22Å; F1240-T1244 WeakPolarHBondContact O-CB 3.32Å; F1240-T1244 PolarHBondContact O-N 3.08Å; F1240-T1244 PolarHBondContact O-OG1 2.97Å; F1240-T1244 VanDerWaalsContact O-OG1 3.08Å | ||
| 1241 | Y | 82.1 | Confident | 66.5 | Low | 45.6 Ų | 45.6 | 42.9 Ų | 42.9 | 18% | 0.179 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | -173.2 | -71.3 | -37.9 | 0 | 0 | 0 | 112.3 | I1121 E1126 P1239 T1244 L1245 A1327 P1328 L1539 | I1121-Y1241 HydrophobicContact CG2-CD2 4.19Å; E1126-Y1241 PolarHBondContact OE1-N 3.21Å; E1126-Y1241 VanDerWaalsContact OE1-N 3.09Å; P1239-Y1241 VanDerWaalsContact C-N 3.31Å; P1239-Y1241 HydrophobicContact CB-CD1 4.34Å; P1239-Y1241 HydrophobicContact CB-CD2 3.59Å; P1239-Y1241 HydrophobicContact CB-CE1 4.22Å; P1239-Y1241 HydrophobicContact CB-CE2 3.83Å; P1239-Y1241 HydrophobicContact CB-CG 4.27Å; P1239-Y1241 HydrophobicContact CG-CD1 3.62Å; P1239-Y1241 HydrophobicContact CG-CD2 3.64Å; P1239-Y1241 HydrophobicContact CG-CE1 3.33Å; P1239-Y1241 HydrophobicContact CG-CE2 3.36Å; P1239-Y1241 HydrophobicContact CG-CG 3.76Å; P1239-Y1241 PolarHBondContact O-N 2.97Å; Y1241-T1244 WeakPolarHBondContact O-CB 3.43Å; Y1241-T1244 PolarHBondContact O-N 3.06Å; Y1241-L1245 WeakPolarHBondContact O-CB 3.32Å; Y1241-L1245 VanDerWaalsContact O-CG 3.28Å; Y1241-L1245 WeakPolarHBondContact O-CG 3.25Å; Y1241-L1245 PolarHBondContact O-N 3.22Å; Y1241-A1327 HydrophobicContact CE1-CB 3.99Å; Y1241-P1328 HydrophobicContact CD1-CB 3.71Å; Y1241-P1328 HydrophobicContact CD1-CG 4.07Å; Y1241-P1328 HydrophobicContact CE1-CB 4.4Å; Y1241-P1328 HydrophobicContact CE1-CG 4.46Å; Y1241-P1328 HydrophobicContact CG-CB 4.05Å; Y1241-L1539 HydrophobicContact CE2-CD2 4.47Å |
| 1242 | R | 84.1 | Confident | 68.6 | Low | 108.6 Ų | 108.6 | 39.4 Ų | 39.4 | 41% | 0.41 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70 | -41.4 | 178.9 | -63.3 | 179.9 | 171 | 166.9 | -6.8 | 111.4 | N1026 G1027 D1028 S1122 E1126 L1130 F1240 T1244 L1245 L1246 | N1026-R1242 PolarHBondContact O-NH1 3.48Å; G1027-R1242 PolarHBondContact O-NH1 3.34Å; D1028-R1242 PolarHBondContact O-NH1 3.44Å; D1028-R1242 PolarHBondContact O-NH2 3.5Å; S1122-R1242 VanDerWaalsContact CB-CZ 3.47Å; S1122-R1242 WeakPolarHBondContact OG-CD 3.47Å; S1122-R1242 PolarHBondContact OG-NH1 3.26Å; S1122-R1242 PolarHBondContact OG-NH2 3.15Å; S1122-R1242 VanDerWaalsContact OG-NH2 3.1Å; E1126-R1242 HydrophobicContact CG-CB 4.44Å; E1126-R1242 WeakPolarHBondContact OE1-CA 3.27Å; E1126-R1242 VanDerWaalsContact OE1-CB 3.28Å; E1126-R1242 WeakPolarHBondContact OE1-CB 3.33Å; E1126-R1242 PolarHBondContact OE1-N 3.13Å; E1126-R1242 VanDerWaalsContact OE2-CD 3.29Å; E1126-R1242 WeakPolarHBondContact OE2-CD 3.37Å; E1126-R1242 WeakPolarHBondContact OE2-CG 3.49Å; E1126-R1242 IonicContact OE2-CZ 2.73Å; E1126-R1242 IonicContact OE2-NE 2.68Å; E1126-R1242 IonicContact OE2-NH1 3.1Å; E1126-R1242 PolarHBondContact OE2-NH1 3.07Å; L1130-R1242 HydrophobicContact CD1-CB 3.66Å; L1130-R1242 HydrophobicContact CD1-CG 4.35Å; L1130-R1242 HydrophobicContact CD2-CB 3.92Å; L1130-R1242 HydrophobicContact CG-CB 4.29Å; F1240-R1242 VanDerWaalsContact C-N 3.33Å; F1240-R1242 PolarHBondContact O-N 3.07Å; R1242-T1244 VanDerWaalsContact C-N 3.3Å; R1242-T1244 PolarHBondContact O-N 3.24Å; R1242-L1245 PolarHBondContact O-N 3.03Å; R1242-L1246 WeakPolarHBondContact O-CB 3.35Å; R1242-L1246 PolarHBondContact O-N 3.3Å |
| 1243 | C | 86.7 | Confident | 70.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 174.5 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | E1126 L1130 M1133 F1148 F1240 L1246 L1247 | E1126-C1243 PolarHBondContact OE1-N 3.18Å; L1130-C1243 HydrophobicContact CD2-CB 4.43Å; M1133-C1243 HydrophobicContact SD-CB 4.14Å; F1148-C1243 HydrophobicContact CD1-CB 3.98Å; F1148-C1243 HydrophobicContact CD2-CB 3.98Å; F1148-C1243 HydrophobicContact CE1-CB 3.49Å; F1148-C1243 VanDerWaalsContact CE1-CB 3.47Å; F1148-C1243 HydrophobicContact CE2-CB 3.49Å; F1148-C1243 VanDerWaalsContact CE2-CB 3.47Å; F1148-C1243 HydrophobicContact CG-CB 4.23Å; F1148-C1243 HydrophobicContact CZ-CB 3.24Å; F1240-C1243 HydrophobicContact CB-CB 4.39Å; F1240-C1243 PolarHBondContact O-N 3.22Å; C1243-L1246 PolarHBondContact O-N 3.21Å; C1243-L1247 PolarHBondContact O-N 3.19Å; C1243-L1247 VanDerWaalsContact O-N 3.13Å |
| 1244 | T | 87.5 | Confident | 71 | Confident | 1.4 Ų | 1.4 | 40.9 Ų | 40.9 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 174.8 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | W1152 F1240 Y1241 R1242 L1246 L1247 L1248 W1312 P1328 | W1152-T1244 HydrophobicContact CH2-CG2 3.74Å; W1152-T1244 HydrophobicContact CZ2-CG2 4.38Å; W1152-T1244 HydrophobicContact CZ3-CG2 3.95Å; W1152-T1244 WeakPolarHBondContact CZ3-OG1 3.25Å; F1240-T1244 WeakPolarHBondContact O-CB 3.32Å; F1240-T1244 PolarHBondContact O-N 3.08Å; F1240-T1244 PolarHBondContact O-OG1 2.97Å; F1240-T1244 VanDerWaalsContact O-OG1 3.08Å; Y1241-T1244 WeakPolarHBondContact O-CB 3.43Å; Y1241-T1244 PolarHBondContact O-N 3.06Å; R1242-T1244 VanDerWaalsContact C-N 3.3Å; R1242-T1244 PolarHBondContact O-N 3.24Å; T1244-L1246 VanDerWaalsContact C-N 3.35Å; T1244-L1247 PolarHBondContact O-N 3.16Å; T1244-L1248 WeakPolarHBondContact O-CG 3.34Å; T1244-L1248 PolarHBondContact O-N 3.27Å; T1244-L1248 VanDerWaalsContact O-N 3.14Å; T1244-W1312 HydrophobicContact CG2-CH2 4.08Å; T1244-W1312 HydrophobicContact CG2-CZ2 4.26Å; T1244-P1328 HydrophobicContact CG2-CG 4.29Å |
| 1245 | L | 87.4 | Confident | 71.8 | Confident | 27.2 Ų | 27.2 | 43.2 Ų | 43.2 | 14% | 0.142 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 175.7 | -74.2 | 179.7 | 0 | 0 | 0 | 111.7 | Y1241 R1242 L1247 L1248 D1249 P1328 I1329 I1332 Y1506 R1510 | Y1241-L1245 WeakPolarHBondContact O-CB 3.32Å; Y1241-L1245 VanDerWaalsContact O-CG 3.28Å; Y1241-L1245 WeakPolarHBondContact O-CG 3.25Å; Y1241-L1245 PolarHBondContact O-N 3.22Å; R1242-L1245 PolarHBondContact O-N 3.03Å; L1245-L1247 VanDerWaalsContact C-N 3.34Å; L1245-L1247 PolarHBondContact O-N 2.96Å; L1245-L1248 HydrophobicContact CD2-CD1 4.35Å; L1245-L1248 CarbonylContact O-C 3.55Å; L1245-L1248 WeakPolarHBondContact O-CA 3.27Å; L1245-L1248 WeakPolarHBondContact O-CB 3.42Å; L1245-L1248 PolarHBondContact O-N 3.21Å; L1245-D1249 VanDerWaalsContact O-CG 3.28Å; L1245-D1249 PolarHBondContact O-N 3.16Å; L1245-P1328 HydrophobicContact CD1-CB 4.45Å; L1245-P1328 HydrophobicContact CD2-CB 4.12Å; L1245-P1328 HydrophobicContact CD2-CG 4.38Å; L1245-P1328 HydrophobicContact CG-CB 4.16Å; L1245-I1329 HydrophobicContact CD2-CG1 4.49Å; L1245-I1332 HydrophobicContact CD1-CD1 4.22Å; L1245-Y1506 WeakPolarHBondContact CB-OH 3.35Å; L1245-Y1506 HydrophobicContact CD1-CE1 4.16Å; L1245-Y1506 HydrophobicContact CD2-CE1 3.92Å; L1245-Y1506 HydrophobicContact CG-CE1 4.44Å; L1245-Y1506 PolarHBondContact O-OH 2.91Å; L1245-R1510 HydrophobicContact CD2-CG 4.48Å |
| 1246 | L | 88 | Confident | 72 | Confident | 23.8 Ų | 23.8 | 44.8 Ų | 44.8 | 13% | 0.125 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.8 | -177.4 | 58.5 | 0 | 0 | 0 | 112.7 | L1130 M1133 L1134 R1242 C1243 T1244 L1248 D1249 N1250 | L1130-L1246 HydrophobicContact CD2-CB 4.4Å; L1130-L1246 HydrophobicContact CD2-CD2 4.06Å; M1133-L1246 HydrophobicContact CB-CD2 3.58Å; M1133-L1246 HydrophobicContact CE-CD2 4.07Å; M1133-L1246 HydrophobicContact CE-CG 4.31Å; M1133-L1246 HydrophobicContact SD-CD2 4.39Å; L1134-L1246 HydrophobicContact CD2-CD1 3.79Å; L1134-L1246 HydrophobicContact CD2-CD2 3.84Å; L1134-L1246 HydrophobicContact CD2-CG 4.48Å; L1134-L1246 HydrophobicContact CG-CD2 3.9Å; R1242-L1246 WeakPolarHBondContact O-CB 3.35Å; R1242-L1246 PolarHBondContact O-N 3.3Å; C1243-L1246 PolarHBondContact O-N 3.21Å; T1244-L1246 VanDerWaalsContact C-N 3.35Å; L1246-L1248 VanDerWaalsContact C-N 3.28Å; L1246-L1248 PolarHBondContact O-N 3.2Å; L1246-D1249 PolarHBondContact O-N 3.04Å; L1246-D1249 VanDerWaalsContact O-N 3.15Å; L1246-N1250 PolarHBondContact O-N 3.01Å |
| 1247 | L | 88.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 170.7 | -72.1 | -170.9 | 0 | 0 | 0 | 112.7 | M1133 H1145 F1148 I1149 C1243 T1244 L1245 D1249 S1309 W1312 | M1133-L1247 HydrophobicContact CE-CD2 3.65Å; M1133-L1247 HydrophobicContact CE-CG 4.03Å; H1145-L1247 VanDerWaalsContact CD2-CD2 3.47Å; H1145-L1247 WeakPolarHBondContact CD2-CD2 3.38Å; F1148-L1247 HydrophobicContact CD1-CD1 3.65Å; F1148-L1247 HydrophobicContact CD1-CD2 4.43Å; F1148-L1247 HydrophobicContact CD1-CG 3.96Å; F1148-L1247 HydrophobicContact CE1-CD1 3.79Å; F1148-L1247 HydrophobicContact CE1-CG 4.16Å; I1149-L1247 HydrophobicContact CD1-CD2 4.4Å; I1149-L1247 HydrophobicContact CG1-CD1 3.98Å; I1149-L1247 HydrophobicContact CG1-CD2 4.35Å; C1243-L1247 PolarHBondContact O-N 3.19Å; C1243-L1247 VanDerWaalsContact O-N 3.13Å; T1244-L1247 PolarHBondContact O-N 3.16Å; L1245-L1247 VanDerWaalsContact C-N 3.34Å; L1245-L1247 PolarHBondContact O-N 2.96Å; L1247-D1249 VanDerWaalsContact C-N 3.33Å; L1247-S1309 VanDerWaalsContact O-CB 3.3Å; L1247-S1309 WeakPolarHBondContact O-CB 3.44Å; L1247-S1309 PolarHBondContact O-OG 3.16Å; L1247-W1312 HydrophobicContact CB-CD2 4.47Å; L1247-W1312 HydrophobicContact CB-CE3 4Å; L1247-W1312 HydrophobicContact CB-CH2 4.01Å; L1247-W1312 HydrophobicContact CB-CZ3 3.7Å; L1247-W1312 HydrophobicContact CD1-CD2 3.57Å; L1247-W1312 VanDerWaalsContact CD1-CD2 3.5Å; L1247-W1312 VanDerWaalsContact CD1-CE2 3.48Å; L1247-W1312 HydrophobicContact CD1-CE3 3.85Å; L1247-W1312 HydrophobicContact CD1-CG 4.07Å; L1247-W1312 HydrophobicContact CD1-CH2 4.06Å; L1247-W1312 HydrophobicContact CD1-CZ2 3.8Å; L1247-W1312 HydrophobicContact CD1-CZ3 4.09Å; L1247-W1312 HydrophobicContact CG-CE3 4.5Å; L1247-W1312 HydrophobicContact CG-CZ3 4.46Å |
| 1248 | L | 87.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -78.9 | -19.1 | 176.5 | -65.2 | 173.5 | 0 | 0 | 0 | 113.1 | T1244 L1245 L1246 L1251 W1312 L1325 I1329 R1510 I1514 | T1244-L1248 WeakPolarHBondContact O-CG 3.34Å; T1244-L1248 PolarHBondContact O-N 3.27Å; T1244-L1248 VanDerWaalsContact O-N 3.14Å; L1245-L1248 HydrophobicContact CD2-CD1 4.35Å; L1245-L1248 CarbonylContact O-C 3.55Å; L1245-L1248 WeakPolarHBondContact O-CA 3.27Å; L1245-L1248 WeakPolarHBondContact O-CB 3.42Å; L1245-L1248 PolarHBondContact O-N 3.21Å; L1246-L1248 VanDerWaalsContact C-N 3.28Å; L1246-L1248 PolarHBondContact O-N 3.2Å; L1248-L1251 HydrophobicContact CB-CD1 4.46Å; L1248-L1251 HydrophobicContact CD2-CD1 3.76Å; L1248-L1251 WeakPolarHBondContact O-CB 3.35Å; L1248-L1251 WeakPolarHBondContact O-CG 3.4Å; L1248-L1251 PolarHBondContact O-N 3.14Å; L1248-W1312 HydrophobicContact CD2-CH2 4.22Å; L1248-W1312 HydrophobicContact CD2-CZ3 3.87Å; L1248-W1312 HydrophobicContact CG-CH2 4.36Å; L1248-W1312 HydrophobicContact CG-CZ3 4.3Å; L1248-L1325 HydrophobicContact CD2-CD2 4.47Å; L1248-I1329 HydrophobicContact CD1-CD1 4.2Å; L1248-I1329 HydrophobicContact CD1-CG1 4.49Å; L1248-R1510 VanDerWaalsContact CB-CD 3.44Å; L1248-R1510 HydrophobicContact CB-CG 4.29Å; L1248-R1510 HydrophobicContact CD1-CB 4.46Å; L1248-R1510 WeakPolarHBondContact O-CD 3.47Å; L1248-R1510 PolarHBondContact O-NE 3.5Å; L1248-R1510 PolarHBondContact O-NH1 2.99Å; L1248-R1510 VanDerWaalsContact O-NH1 3.16Å; L1248-I1514 HydrophobicContact CD1-CD1 4.37Å; L1248-I1514 HydrophobicContact CD2-CD1 3.88Å; L1248-I1514 HydrophobicContact CD2-CG1 3.88Å |
| 1249 | D | 87.5 | Confident | 70 | Confident | 52.2 Ų | 52.2 | 48.9 Ų | 48.9 | 28% | 0.279 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.6 | -34.8 | 174.7 | -69.7 | -29.2 | 0 | 0 | 0 | 111.9 | L1245 L1246 L1247 L1251 D1252 Y1506 R1510 | L1245-D1249 VanDerWaalsContact O-CG 3.28Å; L1245-D1249 PolarHBondContact O-N 3.16Å; L1246-D1249 PolarHBondContact O-N 3.04Å; L1246-D1249 VanDerWaalsContact O-N 3.15Å; L1247-D1249 VanDerWaalsContact C-N 3.33Å; D1249-L1251 PolarHBondContact O-N 2.88Å; D1249-D1252 WeakPolarHBondContact O-CA 3.2Å; D1249-D1252 PolarHBondContact O-N 3.02Å; D1249-D1252 VanDerWaalsContact O-N 3.16Å; D1249-Y1506 VanDerWaalsContact CG-OH 3.26Å; D1249-Y1506 WeakPolarHBondContact OD1-CE2 3.29Å; D1249-Y1506 VanDerWaalsContact OD1-CZ 3.27Å; D1249-Y1506 PolarHBondContact OD1-OH 2.9Å; D1249-Y1506 PolarHBondContact OD2-OH 3.22Å; D1249-Y1506 VanDerWaalsContact OD2-OH 3.07Å; D1249-R1510 VanDerWaalsContact OD1-CD 3.31Å; D1249-R1510 WeakPolarHBondContact OD1-CD 3.39Å; D1249-R1510 IonicContact OD1-CZ 3.23Å; D1249-R1510 IonicContact OD1-NE 2.99Å; D1249-R1510 PolarHBondContact OD1-NE 3.11Å; D1249-R1510 VanDerWaalsContact OD1-NE 3.17Å; D1249-R1510 IonicContact OD1-NH1 3.16Å; D1249-R1510 IonicContact OD1-NH2 2.7Å; D1249-R1510 PolarHBondContact OD1-NH2 3.39Å |
| 1250 | N | 85 | Confident | 68.8 | Low | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11 | 173.2 | -66.8 | -26.8 | 0 | 0 | 0 | 114.3 | H1145 L1246 D1252 Y1253 R1306 S1309 | H1145-N1250 PolarHBondContact CD2-ND2 3.28Å; H1145-N1250 VanDerWaalsContact CD2-ND2 3.33Å; H1145-N1250 PolarHBondContact NE2-ND2 3.25Å; L1246-N1250 PolarHBondContact O-N 3.01Å; N1250-D1252 VanDerWaalsContact C-N 3.29Å; N1250-Y1253 HydrophobicContact CB-CE2 4.22Å; N1250-Y1253 VanDerWaalsContact O-CD2 3.27Å; N1250-Y1253 WeakPolarHBondContact O-CD2 3.37Å; N1250-R1306 WeakPolarHBondContact O-CA 3.23Å; N1250-R1306 VanDerWaalsContact O-CB 3.29Å; N1250-R1306 WeakPolarHBondContact O-CB 3.34Å; N1250-R1306 WeakPolarHBondContact O-CD 3.48Å; N1250-R1306 VanDerWaalsContact O-CG 3.27Å; N1250-R1306 WeakPolarHBondContact O-CG 3.3Å; N1250-S1309 VanDerWaalsContact CB-OG 3.24Å; N1250-S1309 WeakPolarHBondContact CB-OG 3.37Å; N1250-S1309 PolarHBondContact ND2-OG 3.02Å; N1250-S1309 VanDerWaalsContact ND2-OG 3.13Å |
| 1251 | L | 83.3 | Confident | 66.6 | Low | 4.8 Ų | 4.8 | 53.8 Ų | 53.8 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19.1 | 179.6 | -57.1 | -179 | 0 | 0 | 0 | 113.2 | L1248 D1249 Y1253 R1306 I1310 L1313 I1514 I1517 | L1248-L1251 HydrophobicContact CB-CD1 4.46Å; L1248-L1251 HydrophobicContact CD2-CD1 3.76Å; L1248-L1251 WeakPolarHBondContact O-CB 3.35Å; L1248-L1251 WeakPolarHBondContact O-CG 3.4Å; L1248-L1251 PolarHBondContact O-N 3.14Å; D1249-L1251 PolarHBondContact O-N 2.88Å; L1251-Y1253 PolarHBondContact O-N 3.14Å; L1251-R1306 PolarHBondContact O-NE 3.26Å; L1251-I1310 HydrophobicContact CD2-CG1 4.12Å; L1251-L1313 HydrophobicContact CD1-CD2 4Å; L1251-L1313 HydrophobicContact CD2-CD2 4.45Å; L1251-I1514 HydrophobicContact CD1-CG1 4.26Å; L1251-I1517 HydrophobicContact CB-CD1 3.77Å; L1251-I1517 HydrophobicContact CD1-CD1 4.33Å; L1251-I1517 HydrophobicContact CD2-CD1 3.82Å; L1251-I1517 HydrophobicContact CG-CD1 4.17Å |
| 1252 | D | 70.6 | Confident | 64.3 | Low | 47.4 Ų | 47.4 | 56.1 Ų | 56.1 | 25% | 0.253 | 31% | 0.313 | S | S | . | . | trans | -74.5 | -6.8 | -170.4 | -81.6 | 12.2 | 0 | 0 | 0 | 116.1 | D1249 N1250 D1254 N1255 P1259 R1510 S1513 | D1249-D1252 WeakPolarHBondContact O-CA 3.2Å; D1249-D1252 PolarHBondContact O-N 3.02Å; D1249-D1252 VanDerWaalsContact O-N 3.16Å; N1250-D1252 VanDerWaalsContact C-N 3.29Å; D1252-D1254 VanDerWaalsContact C-N 3.3Å; D1252-D1254 PolarHBondContact O-N 3.04Å; D1252-N1255 PolarHBondContact O-N 3.32Å; D1252-N1255 VanDerWaalsContact O-N 3.07Å; D1252-P1259 WeakPolarHBondContact OD2-CD 3.37Å; D1252-R1510 VanDerWaalsContact CG-NH1 3.28Å; D1252-R1510 VanDerWaalsContact CG-NH2 3.31Å; D1252-R1510 IonicContact OD1-CZ 3.21Å; D1252-R1510 VanDerWaalsContact OD1-CZ 3.32Å; D1252-R1510 IonicContact OD1-NH1 2.88Å; D1252-R1510 PolarHBondContact OD1-NH1 3.17Å; D1252-R1510 IonicContact OD1-NH2 3.04Å; D1252-R1510 PolarHBondContact OD1-NH2 3.23Å; D1252-R1510 IonicContact OD2-CZ 3.45Å; D1252-R1510 IonicContact OD2-NH1 3.13Å; D1252-R1510 PolarHBondContact OD2-NH1 3.28Å; D1252-R1510 IonicContact OD2-NH2 3.15Å; D1252-R1510 PolarHBondContact OD2-NH2 3.25Å; D1252-S1513 VanDerWaalsContact OD1-CB 3.25Å; D1252-S1513 WeakPolarHBondContact OD1-CB 3.48Å; D1252-S1513 PolarHBondContact OD1-OG 3.22Å | ||
| 1253 | Y | 58.4 | Low | 62 | Low | 117.2 Ų | 117.2 | 56.8 Ų | 56.8 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.8 | -167 | -79.8 | -76.7 | 0 | 0 | 0 | 114.8 | N1250 L1251 N1255 N1302 R1306 | N1250-Y1253 HydrophobicContact CB-CE2 4.22Å; N1250-Y1253 VanDerWaalsContact O-CD2 3.27Å; N1250-Y1253 WeakPolarHBondContact O-CD2 3.37Å; L1251-Y1253 PolarHBondContact O-N 3.14Å; Y1253-N1255 WeakPolarHBondContact O-CB 3.48Å; Y1253-N1255 PolarHBondContact O-N 3.46Å; Y1253-N1302 HydrophobicContact CD1-CB 4.13Å; Y1253-N1302 HydrophobicContact CD2-CB 4.11Å; Y1253-N1302 HydrophobicContact CE1-CB 4.06Å; Y1253-N1302 HydrophobicContact CE2-CB 4.12Å; Y1253-N1302 HydrophobicContact CG-CB 4.19Å; Y1253-N1302 PolarHBondContact OH-ND2 3.4Å; Y1253-N1302 PolarHBondContact OH-OD1 3.12Å; Y1253-R1306 HydrophobicContact CD2-CB 4.28Å; Y1253-R1306 PolarHBondContact OH-NH2 2.95Å |
| 1254 | D | 49.1 | Very low | 59.4 | Low | 116.6 Ų | 116.6 | 58.5 Ų | 58.5 | 62% | 0.624 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 21.5 | -175.6 | -60.5 | -26.7 | 0 | 0 | 0 | 114.1 | D1252 P1256 R1306 | D1252-D1254 VanDerWaalsContact C-N 3.3Å; D1252-D1254 PolarHBondContact O-N 3.04Å; D1254-P1256 VanDerWaalsContact C-CD 3.49Å; D1254-P1256 WeakPolarHBondContact O-CD 3.3Å; D1254-R1306 VanDerWaalsContact CG-CZ 3.48Å; D1254-R1306 VanDerWaalsContact CG-NH1 3.28Å; D1254-R1306 VanDerWaalsContact CG-NH2 3.27Å; D1254-R1306 IonicContact OD1-CZ 2.77Å; D1254-R1306 IonicContact OD1-NE 3.25Å; D1254-R1306 PolarHBondContact OD1-NE 2.89Å; D1254-R1306 IonicContact OD1-NH1 3.44Å; D1254-R1306 PolarHBondContact OD1-NH1 2.99Å; D1254-R1306 IonicContact OD1-NH2 3.24Å; D1254-R1306 WeakPolarHBondContact OD2-CD 3.45Å; D1254-R1306 IonicContact OD2-CZ 3.55Å; D1254-R1306 IonicContact OD2-NE 3.1Å; D1254-R1306 PolarHBondContact OD2-NE 3.13Å; D1254-R1306 IonicContact OD2-NH1 3.24Å; D1254-R1306 PolarHBondContact OD2-NH1 3.37Å; D1254-R1306 IonicContact OD2-NH2 3.76Å; D1254-R1306 PolarHBondContact OD2-NH2 3.16Å |
| 1255 | N | 46.9 | Very low | 56.8 | Low | 92.6 Ų | 92.6 | 65 Ų | 65 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | trans | -121.1 | 86.8 | -173.5 | -121.7 | -33.7 | 0 | 0 | 0 | 113 | D1252 Y1253 L1257 G1258 | D1252-N1255 PolarHBondContact O-N 3.32Å; D1252-N1255 VanDerWaalsContact O-N 3.07Å; Y1253-N1255 WeakPolarHBondContact O-CB 3.48Å; Y1253-N1255 PolarHBondContact O-N 3.46Å; N1255-L1257 PolarHBondContact O-N 3.32Å; N1255-L1257 VanDerWaalsContact O-N 3.11Å; N1255-G1258 PolarHBondContact O-N 2.88Å; N1255-G1258 VanDerWaalsContact O-N 3.1Å; N1255-G1258 PolarHBondContact OD1-N 3.4Å | ||
| 1256 | P | 40.5 | Very low | 54.1 | Low | 109.2 Ų | 109.2 | 68 Ų | 68 | 71% | 0.709 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -3.4 | 179.7 | 28.4 | -36 | 0 | 0 | 0 | 114.3 | D1254 | D1254-P1256 VanDerWaalsContact C-CD 3.49Å; D1254-P1256 WeakPolarHBondContact O-CD 3.3Å |
| 1257 | L | 33.9 | Very low | 51.3 | Low | 157.2 Ų | 157.2 | 72.9 Ų | 72.9 | 82% | 0.823 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 13 | 176.7 | -72.4 | 147.8 | 0 | 0 | 0 | 113.1 | N1255 | N1255-L1257 PolarHBondContact O-N 3.32Å; N1255-L1257 VanDerWaalsContact O-N 3.11Å |
| 1258 | G | 40.2 | Very low | 48.6 | Very low | 19.2 Ų | 19.2 | 79.8 Ų | 79.8 | 20% | 0.198 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -67.1 | 154 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1255 I1260 G1261 | N1255-G1258 PolarHBondContact O-N 2.88Å; N1255-G1258 VanDerWaalsContact O-N 3.1Å; N1255-G1258 PolarHBondContact OD1-N 3.4Å; G1258-I1260 PolarHBondContact O-N 3.21Å; G1258-G1261 WeakPolarHBondContact O-CA 3.49Å; G1258-G1261 PolarHBondContact O-N 3.15Å |
| 1259 | P | 39 | Very low | 45.9 | Very low | 67.8 Ų | 67.8 | 86.6 Ų | 86.6 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -6.9 | -170.9 | -3.6 | 7 | 0 | 0 | 0 | 116.1 | D1252 Y1506 Y1652 | D1252-P1259 WeakPolarHBondContact OD2-CD 3.37Å; P1259-Y1506 HydrophobicContact CB-CD2 4.01Å; P1259-Y1506 HydrophobicContact CG-CD2 3.71Å; P1259-Y1506 HydrophobicContact CG-CE2 4.28Å; P1259-Y1652 WeakPolarHBondContact CA-OH 3.45Å; P1259-Y1652 HydrophobicContact CB-CE1 3.88Å; P1259-Y1652 VanDerWaalsContact CB-OH 3.28Å; P1259-Y1652 WeakPolarHBondContact CB-OH 3.45Å; P1259-Y1652 HydrophobicContact CG-CE1 4.25Å; P1259-Y1652 WeakPolarHBondContact CG-OH 3.32Å |
| 1260 | I | 39.8 | Very low | 43.1 | Very low | 90.4 Ų | 90.4 | 88.3 Ų | 88.3 | 46% | 0.464 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -4.3 | -177.2 | -49 | 175.2 | 0 | 0 | 0 | 110.9 | G1258 S1262 I1263 G1264 I1505 T1656 | G1258-I1260 PolarHBondContact O-N 3.21Å; I1260-S1262 PolarHBondContact O-N 3.31Å; I1260-S1262 VanDerWaalsContact O-N 3.15Å; I1260-I1263 PolarHBondContact O-N 3.27Å; I1260-G1264 PolarHBondContact O-N 3.02Å; I1260-G1264 VanDerWaalsContact O-N 3.12Å; I1260-I1505 HydrophobicContact CD1-CG2 3.88Å; I1260-I1505 HydrophobicContact CG1-CG2 4.14Å; I1260-T1656 HydrophobicContact CD1-CG2 4.5Å |
| 1261 | G | 32.6 | Very low | 40.3 | Very low | 39.2 Ų | 39.2 | 91.6 Ų | 91.6 | 40% | 0.404 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 12.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1258 I1263 | G1258-G1261 WeakPolarHBondContact O-CA 3.49Å; G1258-G1261 PolarHBondContact O-N 3.15Å; G1261-I1263 PolarHBondContact O-N 3.2Å; G1261-I1263 VanDerWaalsContact O-N 3.08Å |
| 1262 | S | 34.7 | Very low | 37.6 | Very low | 93.6 Ų | 93.6 | 99.4 Ų | 99.4 | 66% | 0.655 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 10.3 | 174.3 | 84.3 | 0 | 0 | 0 | 0 | 115.9 | I1260 G1264 T1266 | I1260-S1262 PolarHBondContact O-N 3.31Å; I1260-S1262 VanDerWaalsContact O-N 3.15Å; S1262-G1264 PolarHBondContact O-N 3.03Å; S1262-T1266 PolarHBondContact O-OG1 3.16Å |
| 1263 | I | 35.4 | Very low | 35.7 | Very low | 122.8 Ų | 122.8 | 104.5 Ų | 104.5 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -15.6 | -177.4 | -59.4 | 176.6 | 0 | 0 | 0 | 111.8 | I1260 G1261 | I1260-I1263 PolarHBondContact O-N 3.27Å; G1261-I1263 PolarHBondContact O-N 3.2Å; G1261-I1263 VanDerWaalsContact O-N 3.08Å |
| 1264 | G | 31.3 | Very low | 34.2 | Very low | 36.8 Ų | 36.8 | 103.9 Ų | 103.9 | 38% | 0.379 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -89.9 | -26.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1260 S1262 L1268 | I1260-G1264 PolarHBondContact O-N 3.02Å; I1260-G1264 VanDerWaalsContact O-N 3.12Å; S1262-G1264 PolarHBondContact O-N 3.03Å; G1264-L1268 WeakPolarHBondContact O-CD1 3.4Å |
| 1265 | L | 33.1 | Very low | 33.1 | Very low | 136.4 Ų | 136.4 | 107.6 Ų | 107.6 | 71% | 0.714 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -87.3 | -17.1 | -174.6 | -69.6 | 168.1 | 0 | 0 | 0 | 114.2 | N1267 L1268 L1269 | L1265-N1267 VanDerWaalsContact C-N 3.32Å; L1265-N1267 PolarHBondContact O-N 3.07Å; L1265-L1268 PolarHBondContact O-N 3.42Å; L1265-L1269 HydrophobicContact CD2-CD1 4.44Å; L1265-L1269 PolarHBondContact O-N 3.23Å; L1265-L1269 VanDerWaalsContact O-N 3.16Å |
| 1266 | T | 30.6 | Very low | 32.2 | Very low | 91.4 Ų | 91.4 | 109.1 Ų | 109.1 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -22.9 | 173.8 | 45.6 | 0 | 0 | 0 | 0 | 114 | S1262 S1270 | S1262-T1266 PolarHBondContact O-OG1 3.16Å; T1266-S1270 VanDerWaalsContact O-CB 3.28Å; T1266-S1270 WeakPolarHBondContact O-CB 3.37Å; T1266-S1270 PolarHBondContact O-OG 3.18Å |
| 1267 | N | 29.9 | Very low | 31.4 | Very low | 126.6 Ų | 126.6 | 111.3 Ų | 111.3 | 68% | 0.677 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 8.2 | -178.6 | -72.2 | -41.4 | 0 | 0 | 0 | 113.8 | L1265 S1270 | L1265-N1267 VanDerWaalsContact C-N 3.32Å; L1265-N1267 PolarHBondContact O-N 3.07Å; N1267-S1270 WeakPolarHBondContact CA-OG 3.37Å |
| 1268 | L | 31.4 | Very low | 31.2 | Very low | 143.4 Ų | 143.4 | 112 Ų | 112 | 75% | 0.751 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 1.8 | 171.4 | -83.6 | 168.8 | 0 | 0 | 0 | 113.9 | G1264 L1265 | G1264-L1268 WeakPolarHBondContact O-CD1 3.4Å; L1265-L1268 PolarHBondContact O-N 3.42Å |
| 1269 | L | 30.5 | Very low | 30.6 | Very low | 143 Ų | 143 | 117.7 Ų | 117.7 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -118.7 | 7.6 | 172.7 | -83 | 165.8 | 0 | 0 | 0 | 112.9 | L1265 S1271 H1272 | L1265-L1269 HydrophobicContact CD2-CD1 4.44Å; L1265-L1269 PolarHBondContact O-N 3.23Å; L1265-L1269 VanDerWaalsContact O-N 3.16Å; L1269-S1271 PolarHBondContact O-N 3.45Å; L1269-H1272 PolarHBondContact O-N 3.08Å |
| 1270 | S | 28 | Very low | 30.3 | Very low | 88.2 Ų | 88.2 | 123.2 Ų | 123.2 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | trans | -107.2 | 21 | -179.3 | -20.8 | 0 | 0 | 0 | 0 | 113.9 | T1266 N1267 H1272 | T1266-S1270 VanDerWaalsContact O-CB 3.28Å; T1266-S1270 WeakPolarHBondContact O-CB 3.37Å; T1266-S1270 PolarHBondContact O-OG 3.18Å; N1267-S1270 WeakPolarHBondContact CA-OG 3.37Å; S1270-H1272 PolarHBondContact O-N 2.76Å | ||
| 1271 | S | 26.5 | Very low | 29.8 | Very low | 79.2 Ų | 79.2 | 125.5 Ų | 125.5 | 55% | 0.554 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 34.5 | 173.8 | 65.4 | 0 | 0 | 0 | 0 | 113 | L1269 | L1269-S1271 PolarHBondContact O-N 3.45Š|
| 1272 | H | 27.5 | Very low | 29.6 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -153.6 | 31.8 | 173.7 | -77.9 | -63.9 | 0 | 0 | 0 | 115.2 | E1016 L1269 S1270 | E1016-H1272 IonicContact OE1-CD2 3.82Å; E1016-H1272 IonicContact OE1-NE2 2.85Å; E1016-H1272 PolarHBondContact OE1-NE2 2.85Å; E1016-H1272 IonicContact OE2-CD2 2.74Å; E1016-H1272 IonicContact OE2-CE1 3.95Å; E1016-H1272 IonicContact OE2-NE2 2.78Å; E1016-H1272 PolarHBondContact OE2-NE2 2.9Å; L1269-H1272 PolarHBondContact O-N 3.08Å; S1270-H1272 PolarHBondContact O-N 2.76Å |
| 1273 | I | 29.7 | Very low | 29.5 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 80% | 0.795 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -134 | 109.4 | 165.7 | -62.9 | 173.7 | 0 | 0 | 0 | 110.6 | ||
| 1274 | S | 27.8 | Very low | 29.3 | Very low | 104.4 Ų | 104.4 | 134.7 Ų | 134.7 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | trans | -138.2 | 93 | 168.5 | 54.4 | 0 | 0 | 0 | 0 | 115 | C1276 | S1274-C1276 PolarHBondContact O-N 3.19Š| ||
| 1275 | Q | 25.7 | Very low | 29.5 | Very low | 195.2 Ų | 195.2 | 140.5 Ų | 140.5 | 91% | 0.912 | 75% | 0.747 | S | S | * | * | trans | -77 | 99.6 | 158.5 | -82.6 | 173.5 | -25.1 | 0 | 0 | 111.3 | ||||
| 1276 | C | 27.6 | Very low | 29.4 | Very low | 123.6 Ų | 123.6 | 140.5 Ų | 140.5 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | -139.2 | 118.8 | 160.2 | -91.3 | 0 | 0 | 0 | 0 | 109.8 | S1274 L1278 | S1274-C1276 PolarHBondContact O-N 3.19Å; C1276-L1278 PolarHBondContact O-N 3.49Å | ||
| 1277 | N | 25.4 | Very low | 29.5 | Very low | 155.4 Ų | 155.4 | 143.1 Ų | 143.1 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -68.1 | 133.5 | 177.9 | -67.3 | -52.2 | 0 | 0 | 0 | 110.9 | ||||
| 1278 | L | 29.3 | Very low | 29.6 | Very low | 170.4 Ų | 170.4 | 143.5 Ų | 143.5 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | trans | -138.2 | 111.7 | 145.1 | -97 | 168.1 | 0 | 0 | 0 | 109.8 | C1276 K1280 | C1276-L1278 PolarHBondContact O-N 3.49Å; L1278-K1280 PolarHBondContact O-N 3.37Å | ||
| 1279 | N | 27.6 | Very low | 29.6 | Very low | 140.2 Ų | 140.2 | 144.9 Ų | 144.9 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | trans | -93.2 | 143.5 | 179.2 | -97.4 | -28.1 | 0 | 0 | 0 | 109.9 | ||||
| 1280 | K | 31.4 | Very low | 29.5 | Very low | 183.6 Ų | 183.6 | 147.1 Ų | 147.1 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 132.1 | 128.7 | 156.5 | -70.2 | 170.8 | -179.3 | -179.9 | 0 | 112.9 | L1278 | L1278-K1280 PolarHBondContact O-N 3.37Š| ||
| 1281 | N | 30.1 | Very low | 29.6 | Very low | 138 Ų | 138 | 151.2 Ų | 151.2 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | 108.6 | 134.4 | 103.3 | -76.6 | 11.6 | 0 | 0 | 0 | 113.8 | |||||
| 1282 | E | 28.8 | Very low | 29.8 | Very low | 158.4 Ų | 158.4 | 154.4 Ų | 154.4 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | 179.5 | 134.9 | 124.9 | -90.6 | -179 | 148.2 | 0 | 0 | 112.6 | |||||
| 1283 | Q | 33 | Very low | 29.9 | Very low | 154.8 Ų | 154.8 | 154.1 Ų | 154.1 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | trans | 83.1 | 119.2 | 147.9 | -60.9 | -177.5 | 23.1 | 0 | 0 | 118.1 | ||||
| 1284 | N | 29.7 | Very low | 29.9 | Very low | 136 Ų | 136 | 155 Ų | 155 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 73.9 | 118 | 138.5 | -56.4 | -22.3 | 0 | 0 | 0 | 118 | ||||
| 1285 | I | 35.3 | Very low | 30.4 | Very low | 157.6 Ų | 157.6 | 156.5 Ų | 156.5 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | 175.3 | 134.3 | 108.8 | -86.4 | 157.4 | 0 | 0 | 0 | 110.5 | |||||
| 1286 | D | 31.2 | Very low | 31.3 | Very low | 137.6 Ų | 137.6 | 154.9 Ų | 154.9 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -72.6 | 157.1 | 177.3 | -55.4 | -72.1 | 0 | 0 | 0 | 113.1 | ||||
| 1287 | N | 34.1 | Very low | 32.3 | Very low | 145 Ų | 145 | 153.5 Ų | 153.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 125 | 121 | 153.6 | -62.8 | -59.7 | 0 | 0 | 0 | 114.1 | ||||
| 1288 | N | 30.5 | Very low | 33.7 | Very low | 136 Ų | 136 | 151.9 Ų | 151.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 3.1 | 149.6 | 140.7 | -59.1 | -7.2 | 0 | 0 | 0 | 116.2 | ||||
| 1289 | E | 31.5 | Very low | 35.2 | Very low | 172.4 Ų | 172.4 | 148 Ų | 148 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | -153.2 | 151.2 | 93.7 | -88.7 | 163 | 162.9 | 0 | 0 | 111.3 | |||||
| 1290 | E | 29.3 | Very low | 37.3 | Very low | 188.2 Ų | 188.2 | 148 Ų | 148 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | 59.7 | 105.5 | 157.8 | -71.3 | -179.2 | 167.4 | 0 | 0 | 117.8 | ||||
| 1291 | L | 30.4 | Very low | 39.1 | Very low | 175.4 Ų | 175.4 | 139.3 Ų | 139.3 | 92% | 0.918 | 71% | 0.711 | S | S | * | * | trans | -145.7 | 79.3 | 148.3 | -161.1 | 75.9 | 0 | 0 | 0 | 111.5 | Q1293 | L1291-Q1293 PolarHBondContact O-N 3.11Š| ||
| 1292 | D | 29.7 | Very low | 41.3 | Very low | 145.4 Ų | 145.4 | 134.9 Ų | 134.9 | 78% | 0.778 | 69% | 0.688 | S | S | * | * | trans | -108.6 | 149 | 164.6 | -113.8 | -28.8 | 0 | 0 | 0 | 111.6 | ||||
| 1293 | Q | 30.3 | Very low | 43.7 | Very low | 164.4 Ų | 164.4 | 130.4 Ų | 130.4 | 77% | 0.768 | 67% | 0.673 | S | S | * | * | trans | 83.5 | 111.6 | 165.9 | -60.3 | 166 | 43.6 | 0 | 0 | 116.9 | L1291 | L1291-Q1293 PolarHBondContact O-N 3.11Š| ||
| 1294 | M | 30.2 | Very low | 46.2 | Very low | 172.8 Ų | 172.8 | 125.3 Ų | 125.3 | 85% | 0.851 | 65% | 0.651 | S | S | * | * | trans | 165.8 | 64.2 | 142.2 | -90.6 | -63.8 | 175.6 | 0 | 0 | 114 | H1296 P1297 | M1294-H1296 PolarHBondContact O-N 3.09Å; M1294-P1297 WeakPolarHBondContact O-CD 3.05Å | ||
| 1295 | D | 36.6 | Very low | 48.9 | Very low | 136.6 Ų | 136.6 | 118.9 Ų | 118.9 | 73% | 0.73 | 62% | 0.616 | S | S | * | * | trans | -142.5 | 1.8 | 174.8 | -107.3 | -27.7 | 0 | 0 | 0 | 116.1 | P1297 | D1295-P1297 VanDerWaalsContact C-CD 3.47Š| ||
| 1296 | H | 46.3 | Very low | 51.4 | Low | 161.2 Ų | 161.2 | 114.1 Ų | 114.1 | 75% | 0.746 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75.3 | -25.8 | -166.8 | -72.4 | -57.6 | 0 | 0 | 0 | 119.7 | M1294 I1298 S1299 F1300 | M1294-H1296 PolarHBondContact O-N 3.09Å; H1296-I1298 PolarHBondContact O-N 2.94Å; H1296-S1299 PolarHBondContact O-N 2.85Å; H1296-F1300 PolarHBondContact O-N 2.92Å |
| 1297 | P | 46.6 | Very low | 54.1 | Low | 94.6 Ų | 94.6 | 112.5 Ų | 112.5 | 61% | 0.614 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.5 | -33 | -170.3 | 27.2 | -32.7 | 0 | 0 | 0 | 114.1 | M1294 D1295 S1299 F1300 G1301 | M1294-P1297 WeakPolarHBondContact O-CD 3.05Å; D1295-P1297 VanDerWaalsContact C-CD 3.47Å; P1297-S1299 VanDerWaalsContact C-N 3.31Å; P1297-S1299 PolarHBondContact O-N 3.12Å; P1297-F1300 PolarHBondContact O-N 3.33Å; P1297-G1301 PolarHBondContact O-N 3.37Å; P1297-G1301 VanDerWaalsContact O-N 3.1Å |
| 1298 | I | 55.7 | Low | 56.7 | Low | 121.2 Ų | 121.2 | 107.6 Ų | 107.6 | 62% | 0.622 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.1 | -35 | -173.5 | -59.4 | 173.5 | 0 | 0 | 0 | 111.5 | H1296 F1300 G1301 N1302 | H1296-I1298 PolarHBondContact O-N 2.94Å; I1298-F1300 PolarHBondContact O-N 2.88Å; I1298-G1301 PolarHBondContact O-N 3.35Å; I1298-N1302 PolarHBondContact O-N 3.39Å; I1298-N1302 PolarHBondContact O-ND2 3.31Å |
| 1299 | S | 61.1 | Low | 59.6 | Low | 87.6 Ų | 87.6 | 101.2 Ų | 101.2 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | H1296 P1297 G1301 N1302 S1303 | H1296-S1299 PolarHBondContact O-N 2.85Å; P1297-S1299 VanDerWaalsContact C-N 3.31Å; P1297-S1299 PolarHBondContact O-N 3.12Å; S1299-G1301 PolarHBondContact O-N 2.94Å; S1299-N1302 PolarHBondContact O-N 3.13Å; S1299-S1303 PolarHBondContact O-N 2.98Å; S1299-S1303 VanDerWaalsContact O-N 3.13Å |
| 1300 | F | 71 | Confident | 62.4 | Low | 141 Ų | 141 | 94.3 Ų | 94.3 | 62% | 0.618 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | -178.1 | -174.2 | -110.7 | 0 | 0 | 0 | 112.3 | H1296 P1297 I1298 N1302 S1303 I1304 | H1296-F1300 PolarHBondContact O-N 2.92Å; P1297-F1300 PolarHBondContact O-N 3.33Å; I1298-F1300 PolarHBondContact O-N 2.88Å; F1300-N1302 VanDerWaalsContact C-N 3.33Å; F1300-N1302 PolarHBondContact O-N 3.28Å; F1300-S1303 WeakPolarHBondContact O-CB 3.27Å; F1300-S1303 PolarHBondContact O-N 3.26Å; F1300-S1303 VanDerWaalsContact O-N 3.14Å; F1300-S1303 PolarHBondContact O-OG 3.17Å; F1300-I1304 HydrophobicContact CD1-CD1 4.01Å; F1300-I1304 HydrophobicContact CE1-CD1 3.63Å; F1300-I1304 HydrophobicContact CZ-CD1 4.05Å; F1300-I1304 PolarHBondContact O-N 3.04Å |
| 1301 | G | 70.6 | Confident | 65.3 | Low | 1.4 Ų | 1.4 | 89.8 Ų | 89.8 | 1% | 0.014 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1138 P1297 I1298 S1299 S1303 I1304 L1305 | L1138-G1301 VanDerWaalsContact CD1-CA 3.41Å; L1138-G1301 VanDerWaalsContact CD2-CA 3.46Å; P1297-G1301 PolarHBondContact O-N 3.37Å; P1297-G1301 VanDerWaalsContact O-N 3.1Å; I1298-G1301 PolarHBondContact O-N 3.35Å; S1299-G1301 PolarHBondContact O-N 2.94Å; G1301-S1303 VanDerWaalsContact C-N 3.29Å; G1301-S1303 PolarHBondContact O-N 3.1Å; G1301-I1304 PolarHBondContact O-N 3.31Å; G1301-L1305 WeakPolarHBondContact O-CG 3.34Å; G1301-L1305 PolarHBondContact O-N 3.22Å |
| 1302 | N | 75.6 | Confident | 68.3 | Low | 45.6 Ų | 45.6 | 81.5 Ų | 81.5 | 24% | 0.244 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.8 | -32.2 | 177.8 | -69 | -29.7 | 0 | 0 | 0 | 112.5 | Y1253 I1298 S1299 F1300 I1304 L1305 R1306 | Y1253-N1302 HydrophobicContact CD1-CB 4.13Å; Y1253-N1302 HydrophobicContact CD2-CB 4.11Å; Y1253-N1302 HydrophobicContact CE1-CB 4.06Å; Y1253-N1302 HydrophobicContact CE2-CB 4.12Å; Y1253-N1302 HydrophobicContact CG-CB 4.19Å; Y1253-N1302 PolarHBondContact OH-ND2 3.4Å; Y1253-N1302 PolarHBondContact OH-OD1 3.12Å; I1298-N1302 PolarHBondContact O-N 3.39Å; I1298-N1302 PolarHBondContact O-ND2 3.31Å; S1299-N1302 PolarHBondContact O-N 3.13Å; F1300-N1302 VanDerWaalsContact C-N 3.33Å; F1300-N1302 PolarHBondContact O-N 3.28Å; N1302-I1304 PolarHBondContact O-N 2.9Å; N1302-L1305 PolarHBondContact O-N 3.08Å; N1302-R1306 VanDerWaalsContact O-CB 3.31Å; N1302-R1306 WeakPolarHBondContact O-CB 3.46Å; N1302-R1306 PolarHBondContact O-N 2.98Å |
| 1303 | S | 79.6 | Confident | 71.2 | Confident | 62.8 Ų | 62.8 | 74.6 Ų | 74.6 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 174.5 | 86.8 | 0 | 0 | 0 | 0 | 112.8 | S1299 F1300 G1301 R1306 E1307 | S1299-S1303 PolarHBondContact O-N 2.98Å; S1299-S1303 VanDerWaalsContact O-N 3.13Å; F1300-S1303 WeakPolarHBondContact O-CB 3.27Å; F1300-S1303 PolarHBondContact O-N 3.26Å; F1300-S1303 VanDerWaalsContact O-N 3.14Å; F1300-S1303 PolarHBondContact O-OG 3.17Å; G1301-S1303 VanDerWaalsContact C-N 3.29Å; G1301-S1303 PolarHBondContact O-N 3.1Å; S1303-R1306 PolarHBondContact O-N 3Å; S1303-E1307 WeakPolarHBondContact O-CB 3.32Å; S1303-E1307 PolarHBondContact O-N 3.17Å |
| 1304 | I | 85.4 | Confident | 74.1 | Confident | 49.4 Ų | 49.4 | 69.4 Ų | 69.4 | 25% | 0.253 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.6 | -64.3 | 167.5 | 0 | 0 | 0 | 110.8 | I1142 F1300 G1301 N1302 R1306 E1307 Q1308 | I1142-I1304 HydrophobicContact CD1-CB 4.3Å; I1142-I1304 HydrophobicContact CD1-CD1 3.95Å; I1142-I1304 HydrophobicContact CD1-CG2 3.99Å; I1142-I1304 HydrophobicContact CG1-CG2 4.21Å; I1142-I1304 HydrophobicContact CG2-CG2 4.22Å; F1300-I1304 HydrophobicContact CD1-CD1 4.01Å; F1300-I1304 HydrophobicContact CE1-CD1 3.63Å; F1300-I1304 HydrophobicContact CZ-CD1 4.05Å; F1300-I1304 PolarHBondContact O-N 3.04Å; G1301-I1304 PolarHBondContact O-N 3.31Å; N1302-I1304 PolarHBondContact O-N 2.9Å; I1304-R1306 VanDerWaalsContact C-N 3.32Å; I1304-R1306 PolarHBondContact O-N 3.29Å; I1304-E1307 PolarHBondContact O-N 3.33Å; I1304-Q1308 HydrophobicContact CG2-CG 4.46Å; I1304-Q1308 WeakPolarHBondContact O-CB 3.42Å; I1304-Q1308 WeakPolarHBondContact O-CG 3.38Å; I1304-Q1308 PolarHBondContact O-N 3.15Å |
| 1305 | L | 86.8 | Confident | 77 | Confident | 0.2 Ų | 0.2 | 66 Ų | 66 | 0% | 0.001 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | -179.8 | -65.6 | 169.1 | 0 | 0 | 0 | 112 | K1141 I1142 H1145 G1301 N1302 Q1308 S1309 | K1141-L1305 HydrophobicContact CD-CD1 3.72Å; K1141-L1305 VanDerWaalsContact CE-CD1 3.43Å; K1141-L1305 HydrophobicContact CG-CD1 4.09Å; K1141-L1305 HydrophobicContact CG-CD2 4.3Å; K1141-L1305 VanDerWaalsContact NZ-CD1 3.26Å; I1142-L1305 HydrophobicContact CB-CD2 4.48Å; I1142-L1305 HydrophobicContact CG1-CD2 3.92Å; I1142-L1305 HydrophobicContact CG1-CG 4.31Å; H1145-L1305 HydrophobicContact CB-CD2 4.14Å; G1301-L1305 WeakPolarHBondContact O-CG 3.34Å; G1301-L1305 PolarHBondContact O-N 3.22Å; N1302-L1305 PolarHBondContact O-N 3.08Å; L1305-Q1308 PolarHBondContact O-N 3.26Å; L1305-S1309 VanDerWaalsContact O-CB 3.32Å; L1305-S1309 WeakPolarHBondContact O-CB 3.41Å; L1305-S1309 PolarHBondContact O-N 3.17Å; L1305-S1309 PolarHBondContact O-OG 3.33Å |
| 1306 | R | 86.7 | Confident | 79.4 | Confident | 56.4 Ų | 56.4 | 59.5 Ų | 59.5 | 21% | 0.213 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 172.6 | -179.1 | 167.5 | 175.9 | -88.4 | 1.7 | 111.5 | N1250 L1251 Y1253 D1254 N1302 S1303 I1304 Q1308 S1309 I1310 | N1250-R1306 WeakPolarHBondContact O-CA 3.23Å; N1250-R1306 VanDerWaalsContact O-CB 3.29Å; N1250-R1306 WeakPolarHBondContact O-CB 3.34Å; N1250-R1306 WeakPolarHBondContact O-CD 3.48Å; N1250-R1306 VanDerWaalsContact O-CG 3.27Å; N1250-R1306 WeakPolarHBondContact O-CG 3.3Å; L1251-R1306 PolarHBondContact O-NE 3.26Å; Y1253-R1306 HydrophobicContact CD2-CB 4.28Å; Y1253-R1306 PolarHBondContact OH-NH2 2.95Å; D1254-R1306 VanDerWaalsContact CG-CZ 3.48Å; D1254-R1306 VanDerWaalsContact CG-NH1 3.28Å; D1254-R1306 VanDerWaalsContact CG-NH2 3.27Å; D1254-R1306 IonicContact OD1-CZ 2.77Å; D1254-R1306 IonicContact OD1-NE 3.25Å; D1254-R1306 PolarHBondContact OD1-NE 2.89Å; D1254-R1306 IonicContact OD1-NH1 3.44Å; D1254-R1306 PolarHBondContact OD1-NH1 2.99Å; D1254-R1306 IonicContact OD1-NH2 3.24Å; D1254-R1306 WeakPolarHBondContact OD2-CD 3.45Å; D1254-R1306 IonicContact OD2-CZ 3.55Å; D1254-R1306 IonicContact OD2-NE 3.1Å; D1254-R1306 PolarHBondContact OD2-NE 3.13Å; D1254-R1306 IonicContact OD2-NH1 3.24Å; D1254-R1306 PolarHBondContact OD2-NH1 3.37Å; D1254-R1306 IonicContact OD2-NH2 3.76Å; D1254-R1306 PolarHBondContact OD2-NH2 3.16Å; N1302-R1306 VanDerWaalsContact O-CB 3.31Å; N1302-R1306 WeakPolarHBondContact O-CB 3.46Å; N1302-R1306 PolarHBondContact O-N 2.98Å; S1303-R1306 PolarHBondContact O-N 3Å; I1304-R1306 VanDerWaalsContact C-N 3.32Å; I1304-R1306 PolarHBondContact O-N 3.29Å; R1306-Q1308 PolarHBondContact O-N 3.03Å; R1306-S1309 CarbonylContact O-C 3.59Å; R1306-S1309 WeakPolarHBondContact O-CA 3.37Å; R1306-S1309 WeakPolarHBondContact O-CB 3.25Å; R1306-S1309 PolarHBondContact O-N 3.1Å; R1306-I1310 HydrophobicContact CG-CD1 3.91Å; R1306-I1310 HydrophobicContact CG-CG1 4.36Å; R1306-I1310 VanDerWaalsContact O-CG1 3.29Å; R1306-I1310 WeakPolarHBondContact O-CG1 3.34Å; R1306-I1310 PolarHBondContact O-N 3.23Å |
| 1307 | E | 87.5 | Confident | 81.4 | Confident | 104 Ų | 104 | 52 Ų | 52 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 178.8 | -172.5 | 74.1 | -163.3 | 0 | 0 | 111.9 | S1303 I1304 S1309 I1310 I1311 | S1303-E1307 WeakPolarHBondContact O-CB 3.32Å; S1303-E1307 PolarHBondContact O-N 3.17Å; I1304-E1307 PolarHBondContact O-N 3.33Å; E1307-S1309 VanDerWaalsContact C-N 3.3Å; E1307-S1309 PolarHBondContact O-N 3.03Å; E1307-I1310 PolarHBondContact O-N 3.3Å; E1307-I1311 HydrophobicContact CG-CD1 3.98Å; E1307-I1311 WeakPolarHBondContact O-CB 3.29Å; E1307-I1311 VanDerWaalsContact O-CG1 3.3Å; E1307-I1311 WeakPolarHBondContact O-CG1 3.38Å; E1307-I1311 PolarHBondContact O-N 3.09Å |
| 1308 | Q | 89.1 | Confident | 83.4 | Confident | 43.6 Ų | 43.6 | 54.8 Ų | 54.8 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 172.3 | -74.9 | -173.1 | -7.7 | 0 | 0 | 112.3 | I1142 I1149 I1304 L1305 R1306 I1310 I1311 W1312 | I1142-Q1308 PolarHBondContact O-NE2 2.96Å; I1149-Q1308 HydrophobicContact CD1-CB 4.01Å; I1304-Q1308 HydrophobicContact CG2-CG 4.46Å; I1304-Q1308 WeakPolarHBondContact O-CB 3.42Å; I1304-Q1308 WeakPolarHBondContact O-CG 3.38Å; I1304-Q1308 PolarHBondContact O-N 3.15Å; L1305-Q1308 PolarHBondContact O-N 3.26Å; R1306-Q1308 PolarHBondContact O-N 3.03Å; Q1308-I1310 VanDerWaalsContact C-N 3.34Å; Q1308-I1310 PolarHBondContact O-N 3.41Å; Q1308-I1311 PolarHBondContact O-N 3.11Å; Q1308-W1312 WeakPolarHBondContact O-CB 3.36Å; Q1308-W1312 PolarHBondContact O-N 3.23Å |
| 1309 | S | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 177.4 | -72.7 | 0 | 0 | 0 | 0 | 112.5 | L1247 N1250 L1305 R1306 E1307 L1313 | L1247-S1309 VanDerWaalsContact O-CB 3.3Å; L1247-S1309 WeakPolarHBondContact O-CB 3.44Å; L1247-S1309 PolarHBondContact O-OG 3.16Å; N1250-S1309 VanDerWaalsContact CB-OG 3.24Å; N1250-S1309 WeakPolarHBondContact CB-OG 3.37Å; N1250-S1309 PolarHBondContact ND2-OG 3.02Å; N1250-S1309 VanDerWaalsContact ND2-OG 3.13Å; L1305-S1309 VanDerWaalsContact O-CB 3.32Å; L1305-S1309 WeakPolarHBondContact O-CB 3.41Å; L1305-S1309 PolarHBondContact O-N 3.17Å; L1305-S1309 PolarHBondContact O-OG 3.33Å; R1306-S1309 CarbonylContact O-C 3.59Å; R1306-S1309 WeakPolarHBondContact O-CA 3.37Å; R1306-S1309 WeakPolarHBondContact O-CB 3.25Å; R1306-S1309 PolarHBondContact O-N 3.1Å; E1307-S1309 VanDerWaalsContact C-N 3.3Å; E1307-S1309 PolarHBondContact O-N 3.03Å; S1309-L1313 VanDerWaalsContact O-CB 3.25Å; S1309-L1313 WeakPolarHBondContact O-CB 3.33Å; S1309-L1313 PolarHBondContact O-N 3.11Å |
| 1310 | I | 90.4 | Very high | 85.6 | Confident | 27.8 Ų | 27.8 | 48.9 Ų | 48.9 | 14% | 0.143 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -48.4 | 173.7 | -69.6 | 168.9 | 0 | 0 | 0 | 110.7 | L1251 R1306 E1307 Q1308 W1312 L1313 E1314 I1517 | L1251-I1310 HydrophobicContact CD2-CG1 4.12Å; R1306-I1310 HydrophobicContact CG-CD1 3.91Å; R1306-I1310 HydrophobicContact CG-CG1 4.36Å; R1306-I1310 VanDerWaalsContact O-CG1 3.29Å; R1306-I1310 WeakPolarHBondContact O-CG1 3.34Å; R1306-I1310 PolarHBondContact O-N 3.23Å; E1307-I1310 PolarHBondContact O-N 3.3Å; Q1308-I1310 VanDerWaalsContact C-N 3.34Å; Q1308-I1310 PolarHBondContact O-N 3.41Å; I1310-W1312 VanDerWaalsContact C-N 3.32Å; I1310-W1312 PolarHBondContact O-N 3.1Å; I1310-L1313 WeakPolarHBondContact O-CB 3.34Å; I1310-L1313 PolarHBondContact O-N 3.18Å; I1310-L1313 VanDerWaalsContact O-N 3.15Å; I1310-E1314 HydrophobicContact CG2-CG 4.46Å; I1310-E1314 WeakPolarHBondContact O-CG 3.36Å; I1310-E1314 PolarHBondContact O-N 3.29Å; I1310-I1517 HydrophobicContact CD1-CD1 4.28Å; I1310-I1517 HydrophobicContact CD1-CG2 4.28Å; I1310-I1517 HydrophobicContact CG1-CD1 4.21Å; I1310-I1517 HydrophobicContact CG1-CG2 4.08Å; I1310-I1517 HydrophobicContact CG2-CG2 4.06Å |
| 1311 | I | 91 | Very high | 86.1 | Confident | 94.2 Ų | 94.2 | 42.5 Ų | 42.5 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 178.2 | -67.8 | 167 | 0 | 0 | 0 | 110.9 | E1307 Q1308 K1315 | E1307-I1311 HydrophobicContact CG-CD1 3.98Å; E1307-I1311 WeakPolarHBondContact O-CB 3.29Å; E1307-I1311 VanDerWaalsContact O-CG1 3.3Å; E1307-I1311 WeakPolarHBondContact O-CG1 3.38Å; E1307-I1311 PolarHBondContact O-N 3.09Å; Q1308-I1311 PolarHBondContact O-N 3.11Å; I1311-K1315 WeakPolarHBondContact O-CB 3.34Å; I1311-K1315 PolarHBondContact O-N 3.06Å; I1311-K1315 VanDerWaalsContact O-N 3.1Å |
| 1312 | W | 92.5 | Very high | 86.8 | Confident | 1.2 Ų | 1.2 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 172.8 | 165 | 78.2 | 0 | 0 | 0 | 112.1 | I1149 W1152 H1153 T1244 L1247 L1248 Q1308 I1310 K1315 A1316 L1325 | I1149-W1312 HydrophobicContact CD1-CB 3.94Å; I1149-W1312 HydrophobicContact CG1-CB 3.87Å; I1149-W1312 HydrophobicContact CG1-CG 3.95Å; I1149-W1312 HydrophobicContact CG2-CB 4.13Å; I1149-W1312 HydrophobicContact CG2-CG 4.4Å; W1152-W1312 AromaticContact CD1-CD1 3.89Å; W1152-W1312 AromaticContact CD1-CE2 3.91Å; W1152-W1312 AromaticContact CD1-NE1 3.05Å; W1152-W1312 HydrophobicContact CD2-CZ2 4.19Å; W1152-W1312 AromaticContact CD2-NE1 3.91Å; W1152-W1312 AromaticContact CE2-CZ2 3.89Å; W1152-W1312 AromaticContact CE2-NE1 3.95Å; W1152-W1312 HydrophobicContact CG-CZ2 4.38Å; W1152-W1312 AromaticContact CG-NE1 3.33Å; W1152-W1312 VanDerWaalsContact CG-NE1 3.31Å; W1152-W1312 HydrophobicContact CZ2-CZ2 4.2Å; W1152-W1312 AromaticContact NE1-CE2 3.97Å; W1152-W1312 AromaticContact NE1-CZ2 3.95Å; W1152-W1312 AromaticContact NE1-NE1 3.47Å; H1153-W1312 AromaticContact CE1-CD1 3.8Å; H1153-W1312 AromaticContact NE2-CD1 3.84Å; T1244-W1312 HydrophobicContact CG2-CH2 4.08Å; T1244-W1312 HydrophobicContact CG2-CZ2 4.26Å; L1247-W1312 HydrophobicContact CB-CD2 4.47Å; L1247-W1312 HydrophobicContact CB-CE3 4Å; L1247-W1312 HydrophobicContact CB-CH2 4.01Å; L1247-W1312 HydrophobicContact CB-CZ3 3.7Å; L1247-W1312 HydrophobicContact CD1-CD2 3.57Å; L1247-W1312 VanDerWaalsContact CD1-CD2 3.5Å; L1247-W1312 VanDerWaalsContact CD1-CE2 3.48Å; L1247-W1312 HydrophobicContact CD1-CE3 3.85Å; L1247-W1312 HydrophobicContact CD1-CG 4.07Å; L1247-W1312 HydrophobicContact CD1-CH2 4.06Å; L1247-W1312 HydrophobicContact CD1-CZ2 3.8Å; L1247-W1312 HydrophobicContact CD1-CZ3 4.09Å; L1247-W1312 HydrophobicContact CG-CE3 4.5Å; L1247-W1312 HydrophobicContact CG-CZ3 4.46Å; L1248-W1312 HydrophobicContact CD2-CH2 4.22Å; L1248-W1312 HydrophobicContact CD2-CZ3 3.87Å; L1248-W1312 HydrophobicContact CG-CH2 4.36Å; L1248-W1312 HydrophobicContact CG-CZ3 4.3Å; Q1308-W1312 WeakPolarHBondContact O-CB 3.36Å; Q1308-W1312 PolarHBondContact O-N 3.23Å; I1310-W1312 VanDerWaalsContact C-N 3.32Å; I1310-W1312 PolarHBondContact O-N 3.1Å; W1312-K1315 CarbonylContact O-C 3.3Å; W1312-K1315 PolarHBondContact O-N 3.32Å; W1312-A1316 VanDerWaalsContact O-CB 3.29Å; W1312-A1316 WeakPolarHBondContact O-CB 3.3Å; W1312-A1316 PolarHBondContact O-N 3.17Å; W1312-L1325 HydrophobicContact CH2-CD1 3.88Å; W1312-L1325 HydrophobicContact CH2-CG 4.39Å; W1312-L1325 HydrophobicContact CZ2-CD1 4.28Å; W1312-L1325 HydrophobicContact CZ3-CD1 4.3Å |
| 1313 | L | 91.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -52.8 | 179.7 | 174 | 63.2 | 0 | 0 | 0 | 111.1 | L1251 S1309 I1310 K1315 A1316 L1317 L1325 I1514 I1517 | L1251-L1313 HydrophobicContact CD1-CD2 4Å; L1251-L1313 HydrophobicContact CD2-CD2 4.45Å; S1309-L1313 VanDerWaalsContact O-CB 3.25Å; S1309-L1313 WeakPolarHBondContact O-CB 3.33Å; S1309-L1313 PolarHBondContact O-N 3.11Å; I1310-L1313 WeakPolarHBondContact O-CB 3.34Å; I1310-L1313 PolarHBondContact O-N 3.18Å; I1310-L1313 VanDerWaalsContact O-N 3.15Å; L1313-K1315 VanDerWaalsContact C-N 3.28Å; L1313-K1315 PolarHBondContact O-N 3.06Å; L1313-A1316 WeakPolarHBondContact O-CB 3.46Å; L1313-A1316 PolarHBondContact O-N 3.05Å; L1313-A1316 VanDerWaalsContact O-N 3.16Å; L1313-L1317 HydrophobicContact CD1-CD1 4.04Å; L1313-L1317 HydrophobicContact CD1-CG 4.21Å; L1313-L1317 HydrophobicContact CG-CD1 4.2Å; L1313-L1317 VanDerWaalsContact O-CG 3.3Å; L1313-L1317 WeakPolarHBondContact O-CG 3.43Å; L1313-L1317 PolarHBondContact O-N 3.01Å; L1313-L1325 HydrophobicContact CD1-CD1 3.59Å; L1313-L1325 HydrophobicContact CD1-CD2 4.44Å; L1313-I1514 HydrophobicContact CD1-CG1 4.28Å; L1313-I1514 HydrophobicContact CD1-CG2 4.06Å; L1313-I1514 HydrophobicContact CD2-CG1 4.38Å; L1313-I1514 HydrophobicContact CD2-CG2 4.29Å; L1313-I1517 HydrophobicContact CD2-CB 4.47Å; L1313-I1517 HydrophobicContact CD2-CG2 4.27Å |
| 1314 | E | 91 | Very high | 87.3 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 177.7 | -72.1 | -150.5 | 122.1 | 0 | 0 | 112 | I1310 L1317 R1318 L1521 | I1310-E1314 HydrophobicContact CG2-CG 4.46Å; I1310-E1314 WeakPolarHBondContact O-CG 3.36Å; I1310-E1314 PolarHBondContact O-N 3.29Å; E1314-L1317 PolarHBondContact O-N 3.07Å; E1314-R1318 VanDerWaalsContact O-CB 3.28Å; E1314-R1318 WeakPolarHBondContact O-CB 3.34Å; E1314-R1318 VanDerWaalsContact O-CG 3.28Å; E1314-R1318 WeakPolarHBondContact O-CG 3.37Å; E1314-R1318 PolarHBondContact O-N 3.27Å; E1314-R1318 IonicContact OE1-CZ 3.72Å; E1314-R1318 IonicContact OE1-NH1 3.38Å; E1314-R1318 IonicContact OE1-NH2 3.15Å; E1314-R1318 PolarHBondContact OE1-NH2 3.24Å; E1314-R1318 IonicContact OE2-CZ 3.23Å; E1314-R1318 IonicContact OE2-NH1 2.93Å; E1314-R1318 PolarHBondContact OE2-NH1 2.98Å; E1314-R1318 IonicContact OE2-NH2 3.69Å; E1314-R1318 PolarHBondContact OE2-NH2 3.28Å; E1314-L1521 HydrophobicContact CB-CD1 4.34Å; E1314-L1521 HydrophobicContact CG-CD1 4.19Å |
| 1315 | K | 90.2 | Very high | 87.4 | Confident | 101.4 Ų | 101.4 | 37.5 Ų | 37.5 | 44% | 0.441 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.7 | -36.1 | 179.5 | -176.3 | 173.5 | 164.3 | -165.7 | 0 | 112.1 | H1153 I1311 W1312 L1313 T1319 | H1153-K1315 VanDerWaalsContact CD2-CE 3.48Å; H1153-K1315 WeakPolarHBondContact CD2-CE 3.35Å; H1153-K1315 PolarHBondContact CD2-NZ 2.98Å; H1153-K1315 VanDerWaalsContact CD2-NZ 3.31Å; H1153-K1315 VanDerWaalsContact NE2-CD 3.33Å; H1153-K1315 WeakPolarHBondContact NE2-CD 3.42Å; H1153-K1315 VanDerWaalsContact NE2-CE 3.26Å; H1153-K1315 WeakPolarHBondContact NE2-CE 3.27Å; H1153-K1315 PolarHBondContact NE2-NZ 2.95Å; I1311-K1315 WeakPolarHBondContact O-CB 3.34Å; I1311-K1315 PolarHBondContact O-N 3.06Å; I1311-K1315 VanDerWaalsContact O-N 3.1Å; W1312-K1315 CarbonylContact O-C 3.3Å; W1312-K1315 PolarHBondContact O-N 3.32Å; L1313-K1315 VanDerWaalsContact C-N 3.28Å; L1313-K1315 PolarHBondContact O-N 3.06Å; K1315-T1319 WeakPolarHBondContact O-CB 3.35Å; K1315-T1319 VanDerWaalsContact O-CG2 3.31Å; K1315-T1319 WeakPolarHBondContact O-CG2 3.36Å; K1315-T1319 PolarHBondContact O-N 3.12Å; K1315-T1319 VanDerWaalsContact O-N 3.13Å; K1315-T1319 PolarHBondContact O-OG1 3.17Å |
| 1316 | A | 87.7 | Confident | 87.5 | Confident | 0.4 Ų | 0.4 | 37.5 Ų | 37.5 | 0% | 0.003 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W1312 L1313 T1319 G1320 Q1321 L1325 | W1312-A1316 VanDerWaalsContact O-CB 3.29Å; W1312-A1316 WeakPolarHBondContact O-CB 3.3Å; W1312-A1316 PolarHBondContact O-N 3.17Å; L1313-A1316 WeakPolarHBondContact O-CB 3.46Å; L1313-A1316 PolarHBondContact O-N 3.05Å; L1313-A1316 VanDerWaalsContact O-N 3.16Å; A1316-T1319 CarbonylContact O-C 3.54Å; A1316-T1319 PolarHBondContact O-N 3.3Å; A1316-T1319 PolarHBondContact O-OG1 3.18Å; A1316-G1320 PolarHBondContact O-N 2.93Å; A1316-G1320 VanDerWaalsContact O-N 3.15Å; A1316-Q1321 HydrophobicContact CB-CB 4.31Å; A1316-Q1321 WeakPolarHBondContact O-CB 3.04Å; A1316-Q1321 PolarHBondContact O-N 3.17Å; A1316-L1325 HydrophobicContact CB-CD1 4.2Å |
| 1317 | L | 88.9 | Confident | 87.4 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -49.7 | 176.7 | -63.7 | 176.3 | 0 | 0 | 0 | 111.9 | L1313 E1314 T1319 G1320 I1322 A1518 L1521 F1522 S1525 | L1313-L1317 HydrophobicContact CD1-CD1 4.04Å; L1313-L1317 HydrophobicContact CD1-CG 4.21Å; L1313-L1317 HydrophobicContact CG-CD1 4.2Å; L1313-L1317 VanDerWaalsContact O-CG 3.3Å; L1313-L1317 WeakPolarHBondContact O-CG 3.43Å; L1313-L1317 PolarHBondContact O-N 3.01Å; E1314-L1317 PolarHBondContact O-N 3.07Å; L1317-T1319 VanDerWaalsContact C-N 3.27Å; L1317-T1319 PolarHBondContact O-N 3.28Å; L1317-T1319 VanDerWaalsContact O-N 3.12Å; L1317-G1320 PolarHBondContact O-N 3.27Å; L1317-I1322 HydrophobicContact CD2-CB 4.35Å; L1317-I1322 HydrophobicContact CD2-CD1 3.85Å; L1317-I1322 HydrophobicContact CD2-CG1 4.19Å; L1317-A1518 HydrophobicContact CD1-CB 4.02Å; L1317-L1521 HydrophobicContact CB-CB 4.38Å; L1317-L1521 HydrophobicContact CD1-CB 4.22Å; L1317-F1522 HydrophobicContact CD1-CB 4.13Å; L1317-F1522 HydrophobicContact CD1-CD2 4.38Å; L1317-F1522 HydrophobicContact CD2-CD2 3.9Å; L1317-S1525 PolarHBondContact O-OG 3.5Å |
| 1318 | R | 87.2 | Confident | 87.3 | Confident | 152.6 Ų | 152.6 | 30.1 Ų | 30.1 | 58% | 0.576 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -60.7 | -23.9 | 176.5 | -72.4 | 177 | -173.9 | 126 | 8.8 | 113.7 | E1314 L1521 | E1314-R1318 VanDerWaalsContact O-CB 3.28Å; E1314-R1318 WeakPolarHBondContact O-CB 3.34Å; E1314-R1318 VanDerWaalsContact O-CG 3.28Å; E1314-R1318 WeakPolarHBondContact O-CG 3.37Å; E1314-R1318 PolarHBondContact O-N 3.27Å; E1314-R1318 IonicContact OE1-CZ 3.72Å; E1314-R1318 IonicContact OE1-NH1 3.38Å; E1314-R1318 IonicContact OE1-NH2 3.15Å; E1314-R1318 PolarHBondContact OE1-NH2 3.24Å; E1314-R1318 IonicContact OE2-CZ 3.23Å; E1314-R1318 IonicContact OE2-NH1 2.93Å; E1314-R1318 PolarHBondContact OE2-NH1 2.98Å; E1314-R1318 IonicContact OE2-NH2 3.69Å; E1314-R1318 PolarHBondContact OE2-NH2 3.28Å; R1318-L1521 HydrophobicContact CG-CD1 4.23Å; R1318-L1521 HydrophobicContact CG-CD2 4.39Å |
| 1319 | T | 83.4 | Confident | 87.4 | Confident | 41.8 Ų | 41.8 | 28.1 Ų | 28.1 | 26% | 0.256 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 6.2 | 176 | 56.9 | 0 | 0 | 0 | 0 | 114 | R1156 K1315 A1316 L1317 Q1321 | R1156-T1319 VanDerWaalsContact CZ-O 3.3Å; R1156-T1319 PolarHBondContact NE-O 3.09Å; R1156-T1319 VanDerWaalsContact NE-O 3.14Å; R1156-T1319 PolarHBondContact NH2-O 3.38Å; K1315-T1319 WeakPolarHBondContact O-CB 3.35Å; K1315-T1319 VanDerWaalsContact O-CG2 3.31Å; K1315-T1319 WeakPolarHBondContact O-CG2 3.36Å; K1315-T1319 PolarHBondContact O-N 3.12Å; K1315-T1319 VanDerWaalsContact O-N 3.13Å; K1315-T1319 PolarHBondContact O-OG1 3.17Å; A1316-T1319 CarbonylContact O-C 3.54Å; A1316-T1319 PolarHBondContact O-N 3.3Å; A1316-T1319 PolarHBondContact O-OG1 3.18Å; L1317-T1319 VanDerWaalsContact C-N 3.27Å; L1317-T1319 PolarHBondContact O-N 3.28Å; L1317-T1319 VanDerWaalsContact O-N 3.12Å; T1319-Q1321 VanDerWaalsContact C-N 3.32Å; T1319-Q1321 PolarHBondContact O-N 3.08Å; T1319-Q1321 WeakPolarHBondContact OG1-CG 3.29Å; T1319-Q1321 PolarHBondContact OG1-NE2 3.2Å; T1319-Q1321 PolarHBondContact OG1-OE1 3.27Å |
| 1320 | G | 80.2 | Confident | 87.2 | Confident | 43.2 Ų | 43.2 | 28.1 Ų | 28.1 | 45% | 0.445 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 17.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1316 L1317 I1322 | A1316-G1320 PolarHBondContact O-N 2.93Å; A1316-G1320 VanDerWaalsContact O-N 3.15Å; L1317-G1320 PolarHBondContact O-N 3.27Å; G1320-I1322 PolarHBondContact O-N 3.19Å; G1320-I1322 VanDerWaalsContact O-N 3.11Å |
| 1321 | Q | 80.9 | Confident | 87 | Confident | 6.8 Ų | 6.8 | 27.2 Ų | 27.2 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 28.7 | -178.1 | -56.9 | -177.1 | 6.8 | 0 | 0 | 112.9 | W1152 H1153 R1156 A1316 T1319 D1323 R1324 L1325 | W1152-Q1321 VanDerWaalsContact NE1-OE1 3.17Å; W1152-Q1321 PolarHBondContact O-NE2 3.23Å; H1153-Q1321 PolarHBondContact ND1-OE1 3.04Å; R1156-Q1321 HydrophobicContact CG-CG 4.27Å; A1316-Q1321 HydrophobicContact CB-CB 4.31Å; A1316-Q1321 WeakPolarHBondContact O-CB 3.04Å; A1316-Q1321 PolarHBondContact O-N 3.17Å; T1319-Q1321 VanDerWaalsContact C-N 3.32Å; T1319-Q1321 PolarHBondContact O-N 3.08Å; T1319-Q1321 WeakPolarHBondContact OG1-CG 3.29Å; T1319-Q1321 PolarHBondContact OG1-NE2 3.2Å; T1319-Q1321 PolarHBondContact OG1-OE1 3.27Å; Q1321-D1323 VanDerWaalsContact C-N 3.31Å; Q1321-D1323 PolarHBondContact O-N 3.42Å; Q1321-R1324 PolarHBondContact O-N 3.37Å; Q1321-L1325 PolarHBondContact O-N 3.17Å |
| 1322 | I | 86.4 | Confident | 86.8 | Confident | 1.4 Ų | 1.4 | 23.6 Ų | 23.6 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.5 | -29.6 | -174.5 | -172.4 | 147.3 | 0 | 0 | 0 | 112.4 | L1317 G1320 R1324 L1325 I1326 F1522 L1526 C1529 L1579 | L1317-I1322 HydrophobicContact CD2-CB 4.35Å; L1317-I1322 HydrophobicContact CD2-CD1 3.85Å; L1317-I1322 HydrophobicContact CD2-CG1 4.19Å; G1320-I1322 PolarHBondContact O-N 3.19Å; G1320-I1322 VanDerWaalsContact O-N 3.11Å; I1322-R1324 VanDerWaalsContact C-N 3.35Å; I1322-R1324 PolarHBondContact O-N 2.79Å; I1322-L1325 PolarHBondContact O-N 3.02Å; I1322-I1326 HydrophobicContact CD1-CD1 3.98Å; I1322-I1326 HydrophobicContact CD1-CG1 3.53Å; I1322-I1326 HydrophobicContact CG1-CD1 3.52Å; I1322-I1326 VanDerWaalsContact CG1-CD1 3.5Å; I1322-I1326 HydrophobicContact CG1-CG1 3.98Å; I1322-I1326 VanDerWaalsContact O-CB 3.27Å; I1322-I1326 WeakPolarHBondContact O-CB 3.34Å; I1322-I1326 WeakPolarHBondContact O-CG1 3.37Å; I1322-I1326 WeakPolarHBondContact O-CG2 3.47Å; I1322-I1326 PolarHBondContact O-N 3.04Å; I1322-F1522 HydrophobicContact CD1-CD2 3.76Å; I1322-F1522 HydrophobicContact CD1-CE2 3.71Å; I1322-F1522 HydrophobicContact CD1-CZ 4.5Å; I1322-F1522 HydrophobicContact CG1-CE2 4.38Å; I1322-L1526 HydrophobicContact CD1-CB 4.42Å; I1322-L1526 HydrophobicContact CD1-CD2 3.69Å; I1322-L1526 VanDerWaalsContact CD1-CD2 3.5Å; I1322-L1526 HydrophobicContact CD1-CG 3.87Å; I1322-L1526 HydrophobicContact CG1-CD2 4.1Å; I1322-L1526 HydrophobicContact CG1-CG 4.37Å; I1322-C1529 HydrophobicContact CG2-CB 3.7Å; I1322-L1579 HydrophobicContact CG1-CD2 4.34Å; I1322-L1579 HydrophobicContact CG2-CD2 4.23Å |
| 1323 | D | 83.1 | Confident | 86.6 | Confident | 20 Ų | 20 | 23.6 Ų | 23.6 | 11% | 0.107 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 175.3 | 65.5 | -29.9 | 0 | 0 | 0 | 111.6 | Q1321 L1325 I1326 A1327 S1533 M1534 Y1537 | Q1321-D1323 VanDerWaalsContact C-N 3.31Å; Q1321-D1323 PolarHBondContact O-N 3.42Å; D1323-L1325 VanDerWaalsContact C-N 3.32Å; D1323-L1325 PolarHBondContact O-N 3.01Å; D1323-I1326 PolarHBondContact O-N 2.66Å; D1323-A1327 WeakPolarHBondContact O-CB 3.4Å; D1323-A1327 PolarHBondContact O-N 3.32Å; D1323-S1533 WeakPolarHBondContact OD2-CB 3.5Å; D1323-S1533 PolarHBondContact OD2-OG 3.16Å; D1323-M1534 HydrophobicContact CB-CE 3.99Å; D1323-M1534 HydrophobicContact CB-CG 4.08Å; D1323-M1534 HydrophobicContact CB-SD 4.28Å; D1323-M1534 VanDerWaalsContact O-CE 3.25Å; D1323-M1534 WeakPolarHBondContact O-CE 3.4Å; D1323-Y1537 HydrophobicContact CB-CE2 4.45Å; D1323-Y1537 PolarHBondContact OD2-OH 3.09Å |
| 1324 | R | 82.6 | Confident | 86.4 | Confident | 31.8 Ų | 31.8 | 23.7 Ų | 23.7 | 12% | 0.12 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | 177 | -67.7 | -179.9 | -178.6 | -168.8 | -1.7 | 113.1 | W1152 L1155 I1238 Q1321 I1322 I1326 P1328 Y1537 | W1152-R1324 HydrophobicContact CH2-CB 3.7Å; W1152-R1324 WeakPolarHBondContact CH2-O 3.33Å; W1152-R1324 HydrophobicContact CZ2-CB 3.67Å; W1152-R1324 PolarHBondContact O-NH1 3.48Å; L1155-R1324 PolarHBondContact O-NH1 3.09Å; L1155-R1324 PolarHBondContact O-NH2 3.32Å; L1155-R1324 VanDerWaalsContact O-NH2 3.1Å; I1238-R1324 VanDerWaalsContact CD1-CZ 3.43Å; Q1321-R1324 PolarHBondContact O-N 3.37Å; I1322-R1324 VanDerWaalsContact C-N 3.35Å; I1322-R1324 PolarHBondContact O-N 2.79Å; R1324-I1326 VanDerWaalsContact C-N 3.32Å; R1324-P1328 VanDerWaalsContact O-CD 3.28Å; R1324-P1328 WeakPolarHBondContact O-CD 3.35Å; R1324-Y1537 HydrophobicContact CG-CE1 4.34Å; R1324-Y1537 WeakPolarHBondContact CG-OH 3.39Å |
| 1325 | L | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.9 | -35.8 | -178.6 | -171.6 | 146.5 | 0 | 0 | 0 | 111.7 | W1152 L1248 W1312 L1313 A1316 Q1321 I1322 D1323 P1328 I1514 | W1152-L1325 HydrophobicContact CZ2-CB 4.38Å; L1248-L1325 HydrophobicContact CD2-CD2 4.47Å; W1312-L1325 HydrophobicContact CH2-CD1 3.88Å; W1312-L1325 HydrophobicContact CH2-CG 4.39Å; W1312-L1325 HydrophobicContact CZ2-CD1 4.28Å; W1312-L1325 HydrophobicContact CZ3-CD1 4.3Å; L1313-L1325 HydrophobicContact CD1-CD1 3.59Å; L1313-L1325 HydrophobicContact CD1-CD2 4.44Å; A1316-L1325 HydrophobicContact CB-CD1 4.2Å; Q1321-L1325 PolarHBondContact O-N 3.17Å; I1322-L1325 PolarHBondContact O-N 3.02Å; D1323-L1325 VanDerWaalsContact C-N 3.32Å; D1323-L1325 PolarHBondContact O-N 3.01Å; L1325-P1328 WeakPolarHBondContact O-CD 3.38Å; L1325-P1328 WeakPolarHBondContact O-CG 3.42Å; L1325-I1514 HydrophobicContact CD2-CD1 3.76Å |
| 1326 | I | 88.1 | Confident | 85.9 | Confident | 0.6 Ų | 0.6 | 19.5 Ų | 19.5 | 0% | 0.003 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -88.9 | -22.8 | -178.7 | -81.7 | -164.7 | 0 | 0 | 0 | 112.8 | I1322 D1323 R1324 I1329 L1330 L1511 F1522 L1526 M1534 L1579 I1583 | I1322-I1326 HydrophobicContact CD1-CD1 3.98Å; I1322-I1326 HydrophobicContact CD1-CG1 3.53Å; I1322-I1326 HydrophobicContact CG1-CD1 3.52Å; I1322-I1326 VanDerWaalsContact CG1-CD1 3.5Å; I1322-I1326 HydrophobicContact CG1-CG1 3.98Å; I1322-I1326 VanDerWaalsContact O-CB 3.27Å; I1322-I1326 WeakPolarHBondContact O-CB 3.34Å; I1322-I1326 WeakPolarHBondContact O-CG1 3.37Å; I1322-I1326 WeakPolarHBondContact O-CG2 3.47Å; I1322-I1326 PolarHBondContact O-N 3.04Å; D1323-I1326 PolarHBondContact O-N 2.66Å; R1324-I1326 VanDerWaalsContact C-N 3.32Å; I1326-I1329 HydrophobicContact CD1-CD1 4.38Å; I1326-I1329 HydrophobicContact CG1-CB 4.43Å; I1326-I1329 WeakPolarHBondContact O-CA 3.27Å; I1326-I1329 WeakPolarHBondContact O-CB 3.35Å; I1326-I1329 PolarHBondContact O-N 3.08Å; I1326-L1330 HydrophobicContact CG1-CG 4.28Å; I1326-L1330 HydrophobicContact CG2-CD1 3.61Å; I1326-L1330 HydrophobicContact CG2-CD2 4.49Å; I1326-L1330 HydrophobicContact CG2-CG 3.71Å; I1326-L1330 PolarHBondContact O-N 3.14Å; I1326-L1511 HydrophobicContact CD1-CD2 3.89Å; I1326-L1511 HydrophobicContact CG1-CD2 4.35Å; I1326-F1522 HydrophobicContact CD1-CE2 3.79Å; I1326-F1522 HydrophobicContact CD1-CZ 3.92Å; I1326-F1522 HydrophobicContact CG1-CE2 4.37Å; I1326-L1526 HydrophobicContact CD1-CD2 3.53Å; I1326-L1526 VanDerWaalsContact CD1-CD2 3.43Å; I1326-L1526 HydrophobicContact CD1-CG 4.48Å; I1326-L1526 HydrophobicContact CG1-CD2 4.3Å; I1326-M1534 HydrophobicContact CG2-SD 3.99Å; I1326-L1579 HydrophobicContact CB-CD2 4.35Å; I1326-L1579 HydrophobicContact CD1-CD2 4.16Å; I1326-L1579 HydrophobicContact CG2-CD1 4.32Å; I1326-L1579 HydrophobicContact CG2-CD2 4.2Å; I1326-I1583 HydrophobicContact CD1-CD1 3.78Å; I1326-I1583 HydrophobicContact CD1-CG1 3.93Å; I1326-I1583 HydrophobicContact CG1-CD1 4.44Å; I1326-I1583 HydrophobicContact CG2-CD1 4.4Å |
| 1327 | A | 84.8 | Confident | 85.7 | Confident | 1.6 Ų | 1.6 | 20.3 Ų | 20.3 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -45.3 | -50 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1241 D1323 I1329 L1330 A1331 M1534 Y1537 | Y1241-A1327 HydrophobicContact CE1-CB 3.99Å; D1323-A1327 WeakPolarHBondContact O-CB 3.4Å; D1323-A1327 PolarHBondContact O-N 3.32Å; A1327-I1329 VanDerWaalsContact C-N 3.33Å; A1327-I1329 PolarHBondContact O-N 3.07Å; A1327-L1330 PolarHBondContact O-N 3.18Å; A1327-A1331 WeakPolarHBondContact O-CB 3.27Å; A1327-A1331 PolarHBondContact O-N 3.22Å; A1327-M1534 HydrophobicContact CB-CE 4.25Å; A1327-Y1537 HydrophobicContact CB-CD1 4.21Å; A1327-Y1537 HydrophobicContact CB-CE1 4.27Å |
| 1328 | P | 86.1 | Confident | 85.5 | Confident | 3.8 Ų | 3.8 | 20.1 Ų | 20.1 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.9 | -33.3 | 177.4 | 24.5 | -33.7 | 0 | 0 | 0 | 113.3 | Y1241 T1244 L1245 R1324 L1325 A1331 I1332 | Y1241-P1328 HydrophobicContact CD1-CB 3.71Å; Y1241-P1328 HydrophobicContact CD1-CG 4.07Å; Y1241-P1328 HydrophobicContact CE1-CB 4.4Å; Y1241-P1328 HydrophobicContact CE1-CG 4.46Å; Y1241-P1328 HydrophobicContact CG-CB 4.05Å; T1244-P1328 HydrophobicContact CG2-CG 4.29Å; L1245-P1328 HydrophobicContact CD1-CB 4.45Å; L1245-P1328 HydrophobicContact CD2-CB 4.12Å; L1245-P1328 HydrophobicContact CD2-CG 4.38Å; L1245-P1328 HydrophobicContact CG-CB 4.16Å; R1324-P1328 VanDerWaalsContact O-CD 3.28Å; R1324-P1328 WeakPolarHBondContact O-CD 3.35Å; L1325-P1328 WeakPolarHBondContact O-CD 3.38Å; L1325-P1328 WeakPolarHBondContact O-CG 3.42Å; P1328-A1331 WeakPolarHBondContact O-CB 3.36Å; P1328-A1331 PolarHBondContact O-N 3.19Å; P1328-I1332 WeakPolarHBondContact O-CG1 3.36Å; P1328-I1332 PolarHBondContact O-N 3.16Å |
| 1329 | I | 89.4 | Confident | 85.4 | Confident | 0.6 Ų | 0.6 | 13 Ų | 13 | 0% | 0.003 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70 | -44.9 | 177.4 | -57.5 | 179.3 | 0 | 0 | 0 | 109.9 | L1245 L1248 I1326 A1327 A1331 I1332 L1333 A1507 R1510 L1511 I1514 | L1245-I1329 HydrophobicContact CD2-CG1 4.49Å; L1248-I1329 HydrophobicContact CD1-CD1 4.2Å; L1248-I1329 HydrophobicContact CD1-CG1 4.49Å; I1326-I1329 HydrophobicContact CD1-CD1 4.38Å; I1326-I1329 HydrophobicContact CG1-CB 4.43Å; I1326-I1329 WeakPolarHBondContact O-CA 3.27Å; I1326-I1329 WeakPolarHBondContact O-CB 3.35Å; I1326-I1329 PolarHBondContact O-N 3.08Å; A1327-I1329 VanDerWaalsContact C-N 3.33Å; A1327-I1329 PolarHBondContact O-N 3.07Å; I1329-A1331 VanDerWaalsContact C-N 3.32Å; I1329-A1331 PolarHBondContact O-N 3.19Å; I1329-I1332 PolarHBondContact O-N 3.29Å; I1329-I1332 VanDerWaalsContact O-N 3.15Å; I1329-L1333 HydrophobicContact CG2-CD1 4.01Å; I1329-L1333 HydrophobicContact CG2-CG 4.46Å; I1329-L1333 WeakPolarHBondContact O-CG 3.33Å; I1329-L1333 PolarHBondContact O-N 3.39Å; I1329-A1507 HydrophobicContact CG2-CB 4.07Å; I1329-R1510 HydrophobicContact CD1-CB 4.09Å; I1329-R1510 HydrophobicContact CG1-CB 4.49Å; I1329-L1511 HydrophobicContact CD1-CD2 3.96Å; I1329-L1511 HydrophobicContact CD1-CG 4.23Å; I1329-L1511 HydrophobicContact CG2-CD1 3.88Å; I1329-L1511 HydrophobicContact CG2-CD2 4.06Å; I1329-L1511 HydrophobicContact CG2-CG 3.75Å; I1329-I1514 HydrophobicContact CD1-CD1 4.02Å |
| 1330 | L | 88.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.6 | -33.9 | 176.1 | -76.9 | 176.5 | 0 | 0 | 0 | 112.7 | I1326 A1327 I1332 L1333 L1334 M1534 F1544 L1579 L1582 I1583 L1586 | I1326-L1330 HydrophobicContact CG1-CG 4.28Å; I1326-L1330 HydrophobicContact CG2-CD1 3.61Å; I1326-L1330 HydrophobicContact CG2-CD2 4.49Å; I1326-L1330 HydrophobicContact CG2-CG 3.71Å; I1326-L1330 PolarHBondContact O-N 3.14Å; A1327-L1330 PolarHBondContact O-N 3.18Å; L1330-I1332 VanDerWaalsContact C-N 3.32Å; L1330-I1332 PolarHBondContact O-N 3.07Å; L1330-L1333 PolarHBondContact O-N 3.2Å; L1330-L1334 HydrophobicContact CB-CD1 4.4Å; L1330-L1334 HydrophobicContact CD2-CD1 4.26Å; L1330-L1334 VanDerWaalsContact O-CB 3.25Å; L1330-L1334 WeakPolarHBondContact O-CB 3.4Å; L1330-L1334 WeakPolarHBondContact O-CG 3.42Å; L1330-L1334 PolarHBondContact O-N 3.18Å; L1330-M1534 HydrophobicContact CD1-SD 4.05Å; L1330-F1544 HydrophobicContact CB-CE2 4.38Å; L1330-F1544 HydrophobicContact CD1-CE2 3.83Å; L1330-F1544 HydrophobicContact CD1-CZ 3.94Å; L1330-L1579 HydrophobicContact CD1-CD1 4.06Å; L1330-L1582 HydrophobicContact CD1-CD2 4.02Å; L1330-L1582 HydrophobicContact CD2-CD2 3.92Å; L1330-I1583 HydrophobicContact CD2-CD1 4.02Å; L1330-L1586 HydrophobicContact CD2-CD1 3.56Å; L1330-L1586 VanDerWaalsContact CD2-CD1 3.48Å |
| 1331 | A | 85.4 | Confident | 85.6 | Confident | 9.4 Ų | 9.4 | 10 Ų | 10 | 8% | 0.078 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55.9 | -49.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1327 P1328 I1329 L1333 L1334 H1335 L1539 Y1540 | A1327-A1331 WeakPolarHBondContact O-CB 3.27Å; A1327-A1331 PolarHBondContact O-N 3.22Å; P1328-A1331 WeakPolarHBondContact O-CB 3.36Å; P1328-A1331 PolarHBondContact O-N 3.19Å; I1329-A1331 VanDerWaalsContact C-N 3.32Å; I1329-A1331 PolarHBondContact O-N 3.19Å; A1331-L1333 VanDerWaalsContact C-N 3.35Å; A1331-L1333 PolarHBondContact O-N 2.86Å; A1331-L1334 CarbonylContact O-C 3.52Å; A1331-L1334 PolarHBondContact O-N 3.06Å; A1331-H1335 PolarHBondContact O-N 3.02Å; A1331-H1335 VanDerWaalsContact O-N 3.1Å; A1331-L1539 HydrophobicContact CB-CD1 4.23Å; A1331-L1539 HydrophobicContact CB-CD2 4.08Å; A1331-Y1540 VanDerWaalsContact C-OH 3.25Å; A1331-Y1540 HydrophobicContact CB-CE2 4.19Å; A1331-Y1540 VanDerWaalsContact O-CE2 3.31Å; A1331-Y1540 WeakPolarHBondContact O-CE2 3.32Å; A1331-Y1540 PolarHBondContact O-OH 2.96Å |
| 1332 | I | 86.5 | Confident | 85.6 | Confident | 17.4 Ų | 17.4 | 10 Ų | 10 | 9% | 0.089 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 178.5 | -62.4 | 164.6 | 0 | 0 | 0 | 111.7 | L1245 P1328 I1329 L1330 L1334 H1335 Q1503 Y1506 A1507 | L1245-I1332 HydrophobicContact CD1-CD1 4.22Å; P1328-I1332 WeakPolarHBondContact O-CG1 3.36Å; P1328-I1332 PolarHBondContact O-N 3.16Å; I1329-I1332 PolarHBondContact O-N 3.29Å; I1329-I1332 VanDerWaalsContact O-N 3.15Å; L1330-I1332 VanDerWaalsContact C-N 3.32Å; L1330-I1332 PolarHBondContact O-N 3.07Å; I1332-L1334 VanDerWaalsContact C-N 3.3Å; I1332-L1334 PolarHBondContact O-N 3.01Å; I1332-H1335 WeakPolarHBondContact O-CB 3.37Å; I1332-H1335 PolarHBondContact O-N 3.08Å; I1332-Q1503 VanDerWaalsContact CG2-C 3.47Å; I1332-Q1503 HydrophobicContact CG2-CB 3.77Å; I1332-Q1503 VanDerWaalsContact CG2-O 3.31Å; I1332-Q1503 WeakPolarHBondContact CG2-O 3.42Å; I1332-Y1506 HydrophobicContact CD1-CD1 4.29Å; I1332-Y1506 HydrophobicContact CD1-CE1 4.38Å; I1332-A1507 HydrophobicContact CB-CB 3.98Å; I1332-A1507 HydrophobicContact CD1-CB 4.26Å; I1332-A1507 HydrophobicContact CG2-CB 3.75Å |
| 1333 | L | 89.4 | Confident | 85.2 | Confident | 2.8 Ų | 2.8 | 10.6 Ų | 10.6 | 2% | 0.015 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -72.5 | -25.7 | -177.5 | -66 | 177.3 | 0 | 0 | 0 | 114 | I1329 L1330 A1331 T1338 V1504 A1507 F1508 L1511 Y1590 | I1329-L1333 HydrophobicContact CG2-CD1 4.01Å; I1329-L1333 HydrophobicContact CG2-CG 4.46Å; I1329-L1333 WeakPolarHBondContact O-CG 3.33Å; I1329-L1333 PolarHBondContact O-N 3.39Å; L1330-L1333 PolarHBondContact O-N 3.2Å; A1331-L1333 VanDerWaalsContact C-N 3.35Å; A1331-L1333 PolarHBondContact O-N 2.86Å; L1333-T1338 PolarHBondContact O-OG1 2.97Å; L1333-V1504 HydrophobicContact CD2-CG1 4.2Å; L1333-A1507 HydrophobicContact CD2-CB 3.94Å; L1333-A1507 HydrophobicContact CG-CB 4.04Å; L1333-F1508 HydrophobicContact CD1-CE1 4.25Å; L1333-F1508 HydrophobicContact CD1-CZ 4.47Å; L1333-F1508 HydrophobicContact CD2-CD1 4.42Å; L1333-F1508 HydrophobicContact CD2-CD2 4.01Å; L1333-F1508 HydrophobicContact CD2-CE1 4.25Å; L1333-F1508 HydrophobicContact CD2-CE2 3.7Å; L1333-F1508 HydrophobicContact CD2-CG 4.41Å; L1333-F1508 HydrophobicContact CD2-CZ 3.85Å; L1333-L1511 HydrophobicContact CD1-CD1 3.97Å; L1333-Y1590 HydrophobicContact CB-CE2 4.32Å; L1333-Y1590 HydrophobicContact CD2-CE2 3.87Å; L1333-Y1590 PolarHBondContact O-OH 3.14Å |
| 1334 | L | 87.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 14.6 | 177.8 | -65.7 | 166.5 | 0 | 0 | 0 | 113 | L1330 A1331 I1332 F1544 L1547 H1551 L1586 | L1330-L1334 HydrophobicContact CB-CD1 4.4Å; L1330-L1334 HydrophobicContact CD2-CD1 4.26Å; L1330-L1334 VanDerWaalsContact O-CB 3.25Å; L1330-L1334 WeakPolarHBondContact O-CB 3.4Å; L1330-L1334 WeakPolarHBondContact O-CG 3.42Å; L1330-L1334 PolarHBondContact O-N 3.18Å; A1331-L1334 CarbonylContact O-C 3.52Å; A1331-L1334 PolarHBondContact O-N 3.06Å; I1332-L1334 VanDerWaalsContact C-N 3.3Å; I1332-L1334 PolarHBondContact O-N 3.01Å; L1334-F1544 HydrophobicContact CD1-CD2 4.39Å; L1334-F1544 HydrophobicContact CD1-CE2 3.62Å; L1334-F1544 HydrophobicContact CD1-CZ 4.29Å; L1334-L1547 HydrophobicContact CB-CD2 3.89Å; L1334-L1547 HydrophobicContact CB-CG 4.28Å; L1334-H1551 PolarHBondContact O-NE2 3.11Å; L1334-L1586 HydrophobicContact CD2-CD1 4.45Å; L1334-L1586 HydrophobicContact CD2-CD2 3.84Å; L1334-L1586 HydrophobicContact CG-CD1 4.47Å; L1334-L1586 HydrophobicContact CG-CD2 4.4Å |
| 1335 | H | 86.7 | Confident | 84.5 | Confident | 43.8 Ų | 43.8 | 10.9 Ų | 10.9 | 20% | 0.203 | 6% | 0.06 | C | C | . | . | trans | -53.2 | 138 | 177.4 | -179.1 | -95.9 | 0 | 0 | 0 | 111 | A1331 I1332 S1337 T1338 Y1540 | A1331-H1335 PolarHBondContact O-N 3.02Å; A1331-H1335 VanDerWaalsContact O-N 3.1Å; I1332-H1335 WeakPolarHBondContact O-CB 3.37Å; I1332-H1335 PolarHBondContact O-N 3.08Å; H1335-S1337 PolarHBondContact CE1-OG 3.15Å; H1335-S1337 PolarHBondContact ND1-N 3.24Å; H1335-S1337 PolarHBondContact ND1-OG 3.31Å; H1335-S1337 PolarHBondContact O-N 2.96Å; H1335-T1338 HydrophobicContact CB-CG2 4.28Å; H1335-T1338 WeakPolarHBondContact O-CB 3.15Å; H1335-T1338 PolarHBondContact O-N 3.13Å; H1335-T1338 PolarHBondContact O-OG1 3.13Å; H1335-Y1540 HydrophobicContact CB-CE2 4.43Å; H1335-Y1540 AromaticContact CD2-CE1 3.7Å; H1335-Y1540 AromaticContact CD2-CZ 3.62Å | ||
| 1336 | P | 83.1 | Confident | 83.7 | Confident | 24.2 Ų | 24.2 | 13.5 Ų | 13.5 | 16% | 0.157 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -50.5 | -30.7 | -174.3 | -34.4 | 38.7 | 0 | 0 | 0 | 116.6 | T1338 A1339 Y1540 L1547 F1560 | P1336-T1338 VanDerWaalsContact C-N 3.29Å; P1336-T1338 PolarHBondContact O-N 3.26Å; P1336-A1339 VanDerWaalsContact O-CB 3.22Å; P1336-A1339 WeakPolarHBondContact O-CB 3.4Å; P1336-A1339 PolarHBondContact O-N 3.3Å; P1336-Y1540 HydrophobicContact CG-CD2 4.45Å; P1336-L1547 HydrophobicContact CG-CD1 4.46Å; P1336-F1560 HydrophobicContact CB-CE1 3.84Å; P1336-F1560 HydrophobicContact CB-CZ 4.11Å; P1336-F1560 HydrophobicContact CG-CE1 4.32Å; P1336-F1560 HydrophobicContact CG-CZ 4.4Å |
| 1337 | S | 82.8 | Confident | 83 | Confident | 15.6 Ų | 15.6 | 14.6 Ų | 14.6 | 11% | 0.109 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -76.7 | -11.7 | 176.8 | 52.2 | 0 | 0 | 0 | 0 | 115 | H1335 A1339 N1498 | H1335-S1337 PolarHBondContact CE1-OG 3.15Å; H1335-S1337 PolarHBondContact ND1-N 3.24Å; H1335-S1337 PolarHBondContact ND1-OG 3.31Å; H1335-S1337 PolarHBondContact O-N 2.96Å; S1337-A1339 PolarHBondContact O-N 3.11Å; S1337-N1498 WeakPolarHBondContact CB-O 3.39Å; S1337-N1498 PolarHBondContact OG-O 3.41Å; S1337-N1498 VanDerWaalsContact OG-O 3.06Å |
| 1338 | T | 85.8 | Confident | 82.5 | Confident | 1.8 Ų | 1.8 | 16 Ų | 16 | 1% | 0.011 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -81.3 | 3.5 | 173.1 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | L1333 H1335 P1336 R1340 Y1495 Y1499 V1504 H1551 Y1590 | L1333-T1338 PolarHBondContact O-OG1 2.97Å; H1335-T1338 HydrophobicContact CB-CG2 4.28Å; H1335-T1338 WeakPolarHBondContact O-CB 3.15Å; H1335-T1338 PolarHBondContact O-N 3.13Å; H1335-T1338 PolarHBondContact O-OG1 3.13Å; P1336-T1338 VanDerWaalsContact C-N 3.29Å; P1336-T1338 PolarHBondContact O-N 3.26Å; T1338-R1340 WeakPolarHBondContact O-CG 3.43Å; T1338-R1340 PolarHBondContact O-N 3.49Å; T1338-R1340 PolarHBondContact O-NH1 2.96Å; T1338-Y1495 WeakPolarHBondContact O-CE1 3.47Å; T1338-Y1499 HydrophobicContact CG2-CD2 4.25Å; T1338-Y1499 HydrophobicContact CG2-CG 4.22Å; T1338-V1504 HydrophobicContact CG2-CG2 4.28Å; T1338-H1551 PolarHBondContact OG1-CE1 2.71Å; T1338-Y1590 WeakPolarHBondContact CG2-OH 3.48Å |
| 1339 | A | 84.7 | Confident | 81.7 | Confident | 2.8 Ų | 2.8 | 19.9 Ų | 19.9 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | trans | -60 | 137.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1336 S1337 L1496 F1560 | P1336-A1339 VanDerWaalsContact O-CB 3.22Å; P1336-A1339 WeakPolarHBondContact O-CB 3.4Å; P1336-A1339 PolarHBondContact O-N 3.3Å; S1337-A1339 PolarHBondContact O-N 3.11Å; A1339-L1496 HydrophobicContact CB-CD1 4.23Å; A1339-L1496 WeakPolarHBondContact O-CB 2.9Å; A1339-L1496 PolarHBondContact O-N 3.23Å; A1339-F1560 HydrophobicContact CB-CB 4.46Å; A1339-F1560 HydrophobicContact CB-CD2 3.63Å; A1339-F1560 HydrophobicContact CB-CE2 3.99Å; A1339-F1560 HydrophobicContact CB-CG 4.05Å | ||
| 1340 | R | 85.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157 | -174.5 | -59.2 | 170.5 | -167.3 | 87.3 | 15.7 | 111.5 | T1338 L1493 V1494 Y1495 S1554 M1555 Y1590 S1593 | T1338-R1340 WeakPolarHBondContact O-CG 3.43Å; T1338-R1340 PolarHBondContact O-N 3.49Å; T1338-R1340 PolarHBondContact O-NH1 2.96Å; R1340-L1493 HydrophobicContact CB-CB 4.33Å; R1340-V1494 CarbonylContact C-O 3.48Å; R1340-V1494 VanDerWaalsContact CA-O 3.27Å; R1340-V1494 WeakPolarHBondContact CA-O 3.4Å; R1340-Y1495 HydrophobicContact CG-CD1 3.96Å; R1340-Y1495 HydrophobicContact CG-CE1 3.91Å; R1340-Y1495 HydrophobicContact CG-CG 4.37Å; R1340-Y1495 VanDerWaalsContact NE-CE1 3.31Å; R1340-Y1495 PolarHBondContact NE-OH 3.42Å; R1340-Y1495 VanDerWaalsContact NE-OH 3.13Å; R1340-Y1495 VanDerWaalsContact NH2-CE1 3.32Å; R1340-Y1495 PolarHBondContact NH2-OH 3.24Å; R1340-Y1495 VanDerWaalsContact NH2-OH 3.14Å; R1340-S1554 CarbonylContact O-C 3.52Å; R1340-S1554 VanDerWaalsContact O-CB 3.24Å; R1340-S1554 WeakPolarHBondContact O-CB 3.39Å; R1340-S1554 VanDerWaalsContact O-O 3.12Å; R1340-S1554 PolarHBondContact O-OG 2.86Å; R1340-M1555 HydrophobicContact CB-CG 4.4Å; R1340-M1555 HydrophobicContact CB-SD 3.8Å; R1340-M1555 VanDerWaalsContact CB-SD 3.54Å; R1340-M1555 PolarHBondContact O-N 3.16Å; R1340-M1555 VanDerWaalsContact O-N 3.09Å; R1340-Y1590 VanDerWaalsContact NH2-CD1 3.29Å; R1340-Y1590 VanDerWaalsContact NH2-CD2 3.31Å; R1340-Y1590 VanDerWaalsContact NH2-CE2 3.27Å; R1340-Y1590 VanDerWaalsContact NH2-CG 3.3Å; R1340-Y1590 PolarHBondContact NH2-OH 3.29Å; R1340-S1593 WeakPolarHBondContact CD-OG 3.36Å; R1340-S1593 PolarHBondContact NE-OG 3.39Å |
| 1341 | I | 81.6 | Confident | 79.7 | Confident | 20.4 Ų | 20.4 | 24.9 Ų | 24.9 | 11% | 0.105 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.6 | 167.5 | -138.5 | 174.4 | 0 | 0 | 0 | 109.1 | H1346 L1493 V1494 L1496 S1554 | I1341-H1346 HydrophobicContact CD1-CB 4.1Å; I1341-H1346 HydrophobicContact CG1-CB 4.34Å; I1341-H1346 HydrophobicContact CG2-CB 4.01Å; I1341-L1493 CarbonylContact O-C 3.25Å; I1341-L1493 WeakPolarHBondContact O-CA 3.45Å; I1341-V1494 HydrophobicContact CG2-CB 4.11Å; I1341-V1494 PolarHBondContact N-O 3.16Å; I1341-V1494 PolarHBondContact O-N 3.17Å; I1341-L1496 HydrophobicContact CB-CD2 4.05Å; I1341-L1496 HydrophobicContact CB-CG 4.45Å; I1341-L1496 HydrophobicContact CD1-CD1 4.34Å; I1341-L1496 HydrophobicContact CD1-CD2 3.61Å; I1341-L1496 HydrophobicContact CD1-CG 4.28Å; I1341-L1496 HydrophobicContact CG1-CD1 4.29Å; I1341-L1496 HydrophobicContact CG1-CD2 3.98Å; I1341-L1496 HydrophobicContact CG1-CG 4.11Å; I1341-L1496 HydrophobicContact CG2-CD2 3.66Å; I1341-L1496 HydrophobicContact CG2-CG 4.41Å; I1341-S1554 WeakPolarHBondContact CA-O 3.38Å; I1341-S1554 WeakPolarHBondContact CG1-O 3.25Å |
| 1342 | S | 82.3 | Confident | 79 | Confident | 7.4 Ų | 7.4 | 26.1 Ų | 26.1 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 136.6 | 170.6 | 102.3 | 0 | 0 | 0 | 0 | 111.4 | K1344 S1345 H1346 L1492 M1555 P1864 | S1342-K1344 VanDerWaalsContact C-N 3.3Å; S1342-K1344 PolarHBondContact O-N 3.29Å; S1342-K1344 PolarHBondContact OG-N 3.04Å; S1342-S1345 WeakPolarHBondContact CB-OG 3.31Å; S1342-S1345 WeakPolarHBondContact O-CB 3.23Å; S1342-S1345 PolarHBondContact O-N 2.99Å; S1342-S1345 VanDerWaalsContact O-N 3.09Å; S1342-S1345 VanDerWaalsContact OG-CB 3.28Å; S1342-S1345 WeakPolarHBondContact OG-CB 3.42Å; S1342-S1345 PolarHBondContact OG-N 3.32Å; S1342-S1345 PolarHBondContact OG-OG 3.36Å; S1342-S1345 VanDerWaalsContact OG-OG 3.11Å; S1342-H1346 PolarHBondContact O-N 3.11Å; S1342-L1492 CarbonylContact C-O 3.41Å; S1342-M1555 VanDerWaalsContact CB-O 3.29Å; S1342-M1555 WeakPolarHBondContact CB-O 3.36Å; S1342-M1555 PolarHBondContact N-O 3.09Å; S1342-M1555 VanDerWaalsContact N-O 3.1Å; S1342-M1555 PolarHBondContact OG-O 3.09Å; S1342-P1864 VanDerWaalsContact CB-CG 3.42Å |
| 1343 | L | 77.6 | Confident | 78.1 | Confident | 13.2 Ų | 13.2 | 29.7 Ų | 29.7 | 7% | 0.069 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.1 | -39.5 | 178.2 | -177.6 | 61.9 | 0 | 0 | 0 | 111.1 | S1345 H1346 V1347 L1456 M1485 N1489 L1492 C1790 | L1343-S1345 PolarHBondContact O-N 2.65Å; L1343-H1346 WeakPolarHBondContact O-CB 3.4Å; L1343-H1346 PolarHBondContact O-N 3.14Å; L1343-V1347 HydrophobicContact CD1-CG2 4.15Å; L1343-V1347 HydrophobicContact CG-CG2 4.18Å; L1343-V1347 WeakPolarHBondContact O-CB 3.37Å; L1343-V1347 VanDerWaalsContact O-CG2 3.24Å; L1343-V1347 WeakPolarHBondContact O-CG2 3.4Å; L1343-V1347 PolarHBondContact O-N 3.01Å; L1343-L1456 HydrophobicContact CD1-CD2 4.07Å; L1343-M1485 HydrophobicContact CB-SD 4.31Å; L1343-M1485 HydrophobicContact CD2-CG 4.35Å; L1343-M1485 HydrophobicContact CD2-SD 4.21Å; L1343-M1485 HydrophobicContact CG-CG 4.39Å; L1343-M1485 HydrophobicContact CG-SD 4.21Å; L1343-N1489 HydrophobicContact CD2-CB 4.05Å; L1343-L1492 HydrophobicContact CB-CB 4.16Å; L1343-L1492 WeakPolarHBondContact CB-O 3.33Å; L1343-L1492 HydrophobicContact CD2-CB 4.2Å; L1343-L1492 HydrophobicContact CD2-CD1 4.01Å; L1343-L1492 HydrophobicContact CD2-CD2 3.9Å; L1343-L1492 PolarHBondContact N-O 3.42Å; L1343-C1790 HydrophobicContact CD2-CB 3.7Å |
| 1344 | K | 77 | Confident | 76.9 | Confident | 47.8 Ų | 47.8 | 33.3 Ų | 33.3 | 21% | 0.208 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.9 | -51.7 | 174 | -177.7 | 171.5 | -172.1 | 161.4 | 0 | 112.3 | S1342 H1346 V1347 L1348 M1485 D1490 L1861 M1886 | S1342-K1344 VanDerWaalsContact C-N 3.3Å; S1342-K1344 PolarHBondContact O-N 3.29Å; S1342-K1344 PolarHBondContact OG-N 3.04Å; K1344-H1346 VanDerWaalsContact C-N 3.33Å; K1344-H1346 PolarHBondContact O-N 3.39Å; K1344-V1347 PolarHBondContact O-N 2.99Å; K1344-L1348 HydrophobicContact CG-CD1 4.11Å; K1344-L1348 VanDerWaalsContact O-CB 3.27Å; K1344-L1348 WeakPolarHBondContact O-CB 3.37Å; K1344-L1348 WeakPolarHBondContact O-CG 3.37Å; K1344-L1348 PolarHBondContact O-N 3.22Å; K1344-M1485 VanDerWaalsContact CA-SD 3.53Å; K1344-M1485 HydrophobicContact CB-CE 3.84Å; K1344-M1485 HydrophobicContact CB-SD 3.87Å; K1344-M1485 HydrophobicContact CD-CE 4.32Å; K1344-M1485 HydrophobicContact CG-CE 3.8Å; K1344-M1485 HydrophobicContact CG-SD 4.45Å; K1344-D1490 WeakPolarHBondContact CB-O 3.49Å; K1344-D1490 HydrophobicContact CD-CB 4.34Å; K1344-D1490 WeakPolarHBondContact CD-OD1 3.12Å; K1344-D1490 WeakPolarHBondContact CD-OD2 3.24Å; K1344-D1490 VanDerWaalsContact CE-OD2 3.29Å; K1344-D1490 WeakPolarHBondContact CE-OD2 3.27Å; K1344-D1490 IonicContact NZ-OD1 2.72Å; K1344-D1490 IonicContact NZ-OD2 3.08Å; K1344-D1490 PolarHBondContact NZ-OD2 2.95Å; K1344-L1861 WeakPolarHBondContact CE-O 3.22Å; K1344-L1861 PolarHBondContact NZ-O 3.34Å; K1344-M1886 HydrophobicContact CD-CE 4.41Å; K1344-M1886 HydrophobicContact CD-SD 4.43Å; K1344-M1886 WeakPolarHBondContact CE-SD 3.34Å; K1344-M1886 HydrophobicContact CG-CE 4.48Å; K1344-M1886 HydrophobicContact CG-SD 4.29Å |
| 1345 | S | 73.7 | Confident | 75.6 | Confident | 9.8 Ų | 9.8 | 36.6 Ų | 36.6 | 7% | 0.069 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 178.7 | -91.6 | 0 | 0 | 0 | 0 | 112.2 | S1342 L1343 L1348 K1349 M1555 A1556 | S1342-S1345 WeakPolarHBondContact CB-OG 3.31Å; S1342-S1345 WeakPolarHBondContact O-CB 3.23Å; S1342-S1345 PolarHBondContact O-N 2.99Å; S1342-S1345 VanDerWaalsContact O-N 3.09Å; S1342-S1345 VanDerWaalsContact OG-CB 3.28Å; S1342-S1345 WeakPolarHBondContact OG-CB 3.42Å; S1342-S1345 PolarHBondContact OG-N 3.32Å; S1342-S1345 PolarHBondContact OG-OG 3.36Å; S1342-S1345 VanDerWaalsContact OG-OG 3.11Å; L1343-S1345 PolarHBondContact O-N 2.65Å; S1345-L1348 PolarHBondContact O-N 2.73Å; S1345-K1349 VanDerWaalsContact O-CB 3.27Å; S1345-K1349 WeakPolarHBondContact O-CB 3.4Å; S1345-K1349 PolarHBondContact O-N 3.08Å; S1345-M1555 WeakPolarHBondContact CB-O 3.15Å; S1345-M1555 PolarHBondContact OG-O 3.14Å; S1345-A1556 WeakPolarHBondContact CB-O 3.34Å; S1345-A1556 WeakPolarHBondContact OG-CA 3.41Å; S1345-A1556 PolarHBondContact OG-O 3.33Å |
| 1346 | H | 72 | Confident | 74.3 | Confident | 56.4 Ų | 56.4 | 39.2 Ų | 39.2 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 176.9 | -176.4 | 34.2 | 0 | 0 | 0 | 112.1 | I1341 S1342 L1343 K1344 K1349 H1350 | I1341-H1346 HydrophobicContact CD1-CB 4.1Å; I1341-H1346 HydrophobicContact CG1-CB 4.34Å; I1341-H1346 HydrophobicContact CG2-CB 4.01Å; S1342-H1346 PolarHBondContact O-N 3.11Å; L1343-H1346 WeakPolarHBondContact O-CB 3.4Å; L1343-H1346 PolarHBondContact O-N 3.14Å; K1344-H1346 VanDerWaalsContact C-N 3.33Å; K1344-H1346 PolarHBondContact O-N 3.39Å; H1346-K1349 PolarHBondContact O-N 3.15Å; H1346-H1350 WeakPolarHBondContact O-CB 3.22Å; H1346-H1350 PolarHBondContact O-N 3.12Å; H1346-H1350 VanDerWaalsContact O-N 3.08Å |
| 1347 | V | 72.6 | Confident | 73.3 | Confident | 23.6 Ų | 23.6 | 42.8 Ų | 42.8 | 14% | 0.143 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 111 | L1343 K1344 K1349 H1350 Y1351 L1483 M1485 I1889 | L1343-V1347 HydrophobicContact CD1-CG2 4.15Å; L1343-V1347 HydrophobicContact CG-CG2 4.18Å; L1343-V1347 WeakPolarHBondContact O-CB 3.37Å; L1343-V1347 VanDerWaalsContact O-CG2 3.24Å; L1343-V1347 WeakPolarHBondContact O-CG2 3.4Å; L1343-V1347 PolarHBondContact O-N 3.01Å; K1344-V1347 PolarHBondContact O-N 2.99Å; V1347-K1349 VanDerWaalsContact C-N 3.34Å; V1347-K1349 PolarHBondContact O-N 3.29Å; V1347-H1350 WeakPolarHBondContact O-CB 3.37Å; V1347-H1350 PolarHBondContact O-N 3.18Å; V1347-H1350 VanDerWaalsContact O-N 3.17Å; V1347-Y1351 WeakPolarHBondContact O-CB 3.44Å; V1347-Y1351 PolarHBondContact O-N 2.95Å; V1347-L1483 HydrophobicContact CB-CD2 4.39Å; V1347-L1483 HydrophobicContact CB-CG 4.32Å; V1347-L1483 HydrophobicContact CG1-CD2 4.5Å; V1347-L1483 HydrophobicContact CG1-CG 4.26Å; V1347-L1483 HydrophobicContact CG2-CD1 4.02Å; V1347-L1483 HydrophobicContact CG2-CD2 4.03Å; V1347-L1483 HydrophobicContact CG2-CG 3.9Å; V1347-M1485 HydrophobicContact CG2-CB 4.34Å; V1347-I1889 HydrophobicContact CG1-CD1 4.21Å; V1347-I1889 HydrophobicContact CG1-CG1 4.38Å; V1347-I1889 HydrophobicContact CG1-CG2 3.67Å |
| 1348 | L | 73.3 | Confident | 72 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 177.5 | -114.4 | 132.3 | 0 | 0 | 0 | 112.1 | K1344 S1345 H1350 Y1351 C1352 L1870 L1882 M1886 I1889 | K1344-L1348 HydrophobicContact CG-CD1 4.11Å; K1344-L1348 VanDerWaalsContact O-CB 3.27Å; K1344-L1348 WeakPolarHBondContact O-CB 3.37Å; K1344-L1348 WeakPolarHBondContact O-CG 3.37Å; K1344-L1348 PolarHBondContact O-N 3.22Å; S1345-L1348 PolarHBondContact O-N 2.73Å; L1348-H1350 VanDerWaalsContact C-N 3.32Å; L1348-H1350 PolarHBondContact O-N 3.19Å; L1348-Y1351 PolarHBondContact O-N 3.11Å; L1348-C1352 WeakPolarHBondContact O-CB 3.42Å; L1348-C1352 PolarHBondContact O-N 3.28Å; L1348-C1352 PolarHBondContact O-SG 3.21Å; L1348-C1352 VanDerWaalsContact O-SG 3.34Å; L1348-L1870 HydrophobicContact CD1-CD1 4.11Å; L1348-L1870 HydrophobicContact CD2-CD1 3.49Å; L1348-L1870 VanDerWaalsContact CD2-CD1 3.49Å; L1348-L1870 HydrophobicContact CD2-CD2 3.96Å; L1348-L1870 HydrophobicContact CD2-CG 4.35Å; L1348-L1882 HydrophobicContact CD2-CD2 3.79Å; L1348-M1886 HydrophobicContact CD1-SD 4.05Å; L1348-M1886 HydrophobicContact CD2-CG 4.18Å; L1348-M1886 HydrophobicContact CD2-SD 3.75Å; L1348-M1886 HydrophobicContact CG-SD 3.8Å; L1348-I1889 HydrophobicContact CD1-CD1 3.9Å; L1348-I1889 HydrophobicContact CD2-CD1 3.74Å; L1348-I1889 HydrophobicContact CG-CD1 4.21Å |
| 1349 | K | 70 | Confident | 70.5 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 37% | 0.365 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 178.3 | -172.4 | 172.9 | -176.3 | 176.4 | 0 | 111.7 | S1345 H1346 V1347 C1352 Q1353 G1557 C1558 | S1345-K1349 VanDerWaalsContact O-CB 3.27Å; S1345-K1349 WeakPolarHBondContact O-CB 3.4Å; S1345-K1349 PolarHBondContact O-N 3.08Å; H1346-K1349 PolarHBondContact O-N 3.15Å; V1347-K1349 VanDerWaalsContact C-N 3.34Å; V1347-K1349 PolarHBondContact O-N 3.29Å; K1349-C1352 PolarHBondContact O-N 2.93Å; K1349-Q1353 WeakPolarHBondContact O-CB 3.36Å; K1349-Q1353 VanDerWaalsContact O-CG 3.28Å; K1349-Q1353 WeakPolarHBondContact O-CG 3.37Å; K1349-Q1353 PolarHBondContact O-N 2.88Å; K1349-Q1353 PolarHBondContact O-OE1 2.86Å; K1349-G1557 WeakPolarHBondContact CD-O 3.45Å; K1349-G1557 PolarHBondContact NZ-O 3.07Å; K1349-C1558 PolarHBondContact NZ-SG 3.29Å |
| 1350 | H | 68 | Low | 68.9 | Low | 50.2 Ų | 50.2 | 55.8 Ų | 55.8 | 23% | 0.232 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 175.6 | -173.7 | -125.4 | 0 | 0 | 0 | 112.2 | H1346 V1347 L1348 C1352 Q1353 Q1354 M1458 R1459 S1480 L1483 | H1346-H1350 WeakPolarHBondContact O-CB 3.22Å; H1346-H1350 PolarHBondContact O-N 3.12Å; H1346-H1350 VanDerWaalsContact O-N 3.08Å; V1347-H1350 WeakPolarHBondContact O-CB 3.37Å; V1347-H1350 PolarHBondContact O-N 3.18Å; V1347-H1350 VanDerWaalsContact O-N 3.17Å; L1348-H1350 VanDerWaalsContact C-N 3.32Å; L1348-H1350 PolarHBondContact O-N 3.19Å; H1350-C1352 PolarHBondContact O-N 3.07Å; H1350-Q1353 WeakPolarHBondContact O-CB 3.01Å; H1350-Q1353 PolarHBondContact O-N 3.1Å; H1350-Q1354 PolarHBondContact CE1-NE2 3.07Å; H1350-Q1354 PolarHBondContact ND1-NE2 3.41Å; H1350-Q1354 PolarHBondContact NE2-NE2 3.23Å; H1350-Q1354 VanDerWaalsContact NE2-NE2 3.17Å; H1350-Q1354 WeakPolarHBondContact O-CG 3.36Å; H1350-Q1354 PolarHBondContact O-N 3.14Å; H1350-M1458 PolarHBondContact CE1-O 3.39Å; H1350-R1459 PolarHBondContact CD2-NH1 2.95Å; H1350-S1480 PolarHBondContact CE1-O 3.31Å; H1350-L1483 HydrophobicContact CB-CD2 4.03Å; H1350-L1483 VanDerWaalsContact ND1-CD2 3.33Å; H1350-L1483 WeakPolarHBondContact ND1-CD2 3.3Å |
| 1351 | Y | 69 | Low | 67.1 | Low | 57.4 Ų | 57.4 | 59.4 Ų | 59.4 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 175.7 | -172.8 | -95.6 | 0 | 0 | 0 | 112.1 | V1347 L1348 Q1353 Q1354 M1355 V1386 M1390 Y1885 D1888 I1889 I1892 | V1347-Y1351 WeakPolarHBondContact O-CB 3.44Å; V1347-Y1351 PolarHBondContact O-N 2.95Å; L1348-Y1351 PolarHBondContact O-N 3.11Å; Y1351-Q1353 VanDerWaalsContact C-N 3.33Å; Y1351-Q1353 PolarHBondContact O-N 3.3Å; Y1351-Q1354 PolarHBondContact O-N 3.15Å; Y1351-M1355 HydrophobicContact CD1-CG 4.31Å; Y1351-M1355 HydrophobicContact CE1-CE 3.96Å; Y1351-M1355 HydrophobicContact CE1-CG 4.01Å; Y1351-M1355 HydrophobicContact CE2-CE 4.31Å; Y1351-M1355 HydrophobicContact CE2-CG 4.4Å; Y1351-M1355 WeakPolarHBondContact O-CB 3.46Å; Y1351-M1355 WeakPolarHBondContact O-CG 3.45Å; Y1351-M1355 PolarHBondContact O-N 3.21Å; Y1351-M1355 WeakPolarHBondContact OH-CE 3.27Å; Y1351-V1386 HydrophobicContact CE1-CG1 3.77Å; Y1351-M1390 WeakPolarHBondContact OH-CE 3.26Å; Y1351-Y1885 HydrophobicContact CD1-CD1 4.2Å; Y1351-Y1885 HydrophobicContact CD1-CG 4.43Å; Y1351-Y1885 AromaticContact CE1-CD1 3.72Å; Y1351-Y1885 HydrophobicContact CE1-CD1 3.72Å; Y1351-Y1885 HydrophobicContact CE1-CE1 4.28Å; Y1351-Y1885 HydrophobicContact CE1-CG 4.39Å; Y1351-D1888 WeakPolarHBondContact OH-CB 3.4Å; Y1351-I1889 HydrophobicContact CD1-CD1 4.29Å; Y1351-I1889 HydrophobicContact CD1-CG1 4.34Å; Y1351-I1889 HydrophobicContact CD2-CD1 4.34Å; Y1351-I1889 HydrophobicContact CD2-CG1 3.76Å; Y1351-I1889 HydrophobicContact CE2-CG1 4.16Å; Y1351-I1889 HydrophobicContact CG-CD1 4.07Å; Y1351-I1889 HydrophobicContact CG-CG1 4Å; Y1351-I1892 HydrophobicContact CE2-CD1 3.97Å |
| 1352 | C | 68.9 | Low | 65.3 | Low | 34.4 Ų | 34.4 | 65.4 Ų | 65.4 | 23% | 0.232 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.5 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | L1348 K1349 H1350 M1355 K1356 P1381 | L1348-C1352 WeakPolarHBondContact O-CB 3.42Å; L1348-C1352 PolarHBondContact O-N 3.28Å; L1348-C1352 PolarHBondContact O-SG 3.21Å; L1348-C1352 VanDerWaalsContact O-SG 3.34Å; K1349-C1352 PolarHBondContact O-N 2.93Å; H1350-C1352 PolarHBondContact O-N 3.07Å; C1352-M1355 PolarHBondContact O-N 3.27Å; C1352-K1356 WeakPolarHBondContact O-CG 3.34Å; C1352-K1356 PolarHBondContact O-N 3.42Å; C1352-K1356 VanDerWaalsContact O-N 3.15Å; C1352-P1381 VanDerWaalsContact SG-CD 3.58Å |
| 1353 | Q | 67.7 | Low | 63.3 | Low | 93.6 Ų | 93.6 | 69.4 Ų | 69.4 | 44% | 0.437 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 174.5 | -75.6 | 170.9 | -27.3 | 0 | 0 | 111.8 | K1349 H1350 Y1351 M1355 K1356 V1357 | K1349-Q1353 WeakPolarHBondContact O-CB 3.36Å; K1349-Q1353 VanDerWaalsContact O-CG 3.28Å; K1349-Q1353 WeakPolarHBondContact O-CG 3.37Å; K1349-Q1353 PolarHBondContact O-N 2.88Å; K1349-Q1353 PolarHBondContact O-OE1 2.86Å; H1350-Q1353 WeakPolarHBondContact O-CB 3.01Å; H1350-Q1353 PolarHBondContact O-N 3.1Å; Y1351-Q1353 VanDerWaalsContact C-N 3.33Å; Y1351-Q1353 PolarHBondContact O-N 3.3Å; Q1353-M1355 VanDerWaalsContact C-N 3.32Å; Q1353-M1355 PolarHBondContact O-N 3.14Å; Q1353-K1356 PolarHBondContact O-N 3.3Å; Q1353-K1356 VanDerWaalsContact O-N 3.16Å; Q1353-V1357 PolarHBondContact O-N 3.24Å; Q1353-V1357 VanDerWaalsContact O-N 3.11Å |
| 1354 | Q | 64 | Low | 61.3 | Low | 78.4 Ų | 78.4 | 75.8 Ų | 75.8 | 37% | 0.366 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 174.3 | -68.4 | -172.9 | 12.6 | 0 | 0 | 111.9 | H1350 Y1351 K1356 V1357 S1358 S1480 | H1350-Q1354 PolarHBondContact CE1-NE2 3.07Å; H1350-Q1354 PolarHBondContact ND1-NE2 3.41Å; H1350-Q1354 PolarHBondContact NE2-NE2 3.23Å; H1350-Q1354 VanDerWaalsContact NE2-NE2 3.17Å; H1350-Q1354 WeakPolarHBondContact O-CG 3.36Å; H1350-Q1354 PolarHBondContact O-N 3.14Å; Y1351-Q1354 PolarHBondContact O-N 3.15Å; Q1354-K1356 VanDerWaalsContact C-N 3.28Å; Q1354-K1356 PolarHBondContact O-N 3.3Å; Q1354-V1357 WeakPolarHBondContact O-CA 3.11Å; Q1354-V1357 WeakPolarHBondContact O-CB 3.36Å; Q1354-V1357 PolarHBondContact O-N 3.17Å; Q1354-V1357 VanDerWaalsContact O-N 3.14Å; Q1354-S1358 WeakPolarHBondContact O-CB 3.34Å; Q1354-S1358 PolarHBondContact O-N 3.1Å; Q1354-S1358 PolarHBondContact O-OG 3.12Å; Q1354-S1358 VanDerWaalsContact O-OG 3.08Å; Q1354-S1480 PolarHBondContact NE2-O 3.08Å |
| 1355 | M | 60.6 | Low | 59.2 | Low | 70.2 Ų | 70.2 | 81.3 Ų | 81.3 | 35% | 0.346 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.3 | -31.2 | 176.2 | -77.6 | -68.8 | 168 | 0 | 0 | 113.9 | Y1351 C1352 Q1353 S1358 K1359 | Y1351-M1355 HydrophobicContact CD1-CG 4.31Å; Y1351-M1355 HydrophobicContact CE1-CE 3.96Å; Y1351-M1355 HydrophobicContact CE1-CG 4.01Å; Y1351-M1355 HydrophobicContact CE2-CE 4.31Å; Y1351-M1355 HydrophobicContact CE2-CG 4.4Å; Y1351-M1355 WeakPolarHBondContact O-CB 3.46Å; Y1351-M1355 WeakPolarHBondContact O-CG 3.45Å; Y1351-M1355 PolarHBondContact O-N 3.21Å; Y1351-M1355 WeakPolarHBondContact OH-CE 3.27Å; C1352-M1355 PolarHBondContact O-N 3.27Å; Q1353-M1355 VanDerWaalsContact C-N 3.32Å; Q1353-M1355 PolarHBondContact O-N 3.14Å; M1355-S1358 PolarHBondContact O-N 3.24Å; M1355-K1359 WeakPolarHBondContact O-CB 3.44Å; M1355-K1359 VanDerWaalsContact O-CG 3.31Å; M1355-K1359 WeakPolarHBondContact O-CG 3.36Å; M1355-K1359 PolarHBondContact O-N 3.27Å; M1355-K1359 VanDerWaalsContact O-N 3.12Å |
| 1356 | K | 61.1 | Low | 57.3 | Low | 98 Ų | 98 | 86.3 Ų | 86.3 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 171.4 | -74.5 | -174.1 | -179.4 | -169.3 | 0 | 111.2 | C1352 Q1353 Q1354 S1358 K1359 S1360 D1375 C1378 D1873 E1875 | C1352-K1356 WeakPolarHBondContact O-CG 3.34Å; C1352-K1356 PolarHBondContact O-N 3.42Å; C1352-K1356 VanDerWaalsContact O-N 3.15Å; Q1353-K1356 PolarHBondContact O-N 3.3Å; Q1353-K1356 VanDerWaalsContact O-N 3.16Å; Q1354-K1356 VanDerWaalsContact C-N 3.28Å; Q1354-K1356 PolarHBondContact O-N 3.3Å; K1356-S1358 VanDerWaalsContact C-N 3.31Å; K1356-S1358 PolarHBondContact O-N 3.08Å; K1356-K1359 PolarHBondContact O-N 3.22Å; K1356-S1360 PolarHBondContact O-N 3.15Å; K1356-S1360 VanDerWaalsContact O-N 3.12Å; K1356-D1375 IonicContact NZ-OD1 3.54Å; K1356-D1375 PolarHBondContact NZ-OD1 3.46Å; K1356-D1375 IonicContact NZ-OD2 3.53Å; K1356-D1375 PolarHBondContact NZ-OD2 2.75Å; K1356-C1378 PolarHBondContact NZ-SG 2.88Å; K1356-D1873 IonicContact NZ-OD2 2.72Å; K1356-D1873 PolarHBondContact NZ-OD2 2.83Å; K1356-E1875 WeakPolarHBondContact CE-OE2 3.34Å; K1356-E1875 IonicContact NZ-OE1 3.06Å; K1356-E1875 PolarHBondContact NZ-OE1 3.33Å; K1356-E1875 IonicContact NZ-OE2 2.7Å; K1356-E1875 PolarHBondContact NZ-OE2 2.91Å |
| 1357 | V | 61.2 | Low | 55.4 | Low | 101.8 Ų | 101.8 | 88.9 Ų | 88.9 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | Q1353 Q1354 K1359 S1360 S1361 | Q1353-V1357 PolarHBondContact O-N 3.24Å; Q1353-V1357 VanDerWaalsContact O-N 3.11Å; Q1354-V1357 WeakPolarHBondContact O-CA 3.11Å; Q1354-V1357 WeakPolarHBondContact O-CB 3.36Å; Q1354-V1357 PolarHBondContact O-N 3.17Å; Q1354-V1357 VanDerWaalsContact O-N 3.14Å; V1357-K1359 VanDerWaalsContact C-N 3.28Å; V1357-K1359 PolarHBondContact O-N 3.17Å; V1357-K1359 VanDerWaalsContact O-N 3.14Å; V1357-S1360 WeakPolarHBondContact O-CB 3.25Å; V1357-S1360 PolarHBondContact O-N 3.35Å; V1357-S1360 PolarHBondContact O-OG 3.08Å; V1357-S1360 VanDerWaalsContact O-OG 3.12Å; V1357-S1361 PolarHBondContact O-N 2.71Å; V1357-S1361 PolarHBondContact O-OG 2.63Å |
| 1358 | S | 56 | Low | 53.4 | Low | 69 Ų | 69 | 92.9 Ų | 92.9 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -21.6 | 179.9 | -55.7 | 0 | 0 | 0 | 0 | 114.2 | Q1354 M1355 K1356 S1361 | Q1354-S1358 WeakPolarHBondContact O-CB 3.34Å; Q1354-S1358 PolarHBondContact O-N 3.1Å; Q1354-S1358 PolarHBondContact O-OG 3.12Å; Q1354-S1358 VanDerWaalsContact O-OG 3.08Å; M1355-S1358 PolarHBondContact O-N 3.24Å; K1356-S1358 VanDerWaalsContact C-N 3.31Å; K1356-S1358 PolarHBondContact O-N 3.08Å; S1358-S1361 PolarHBondContact O-OG 3.31Å |
| 1359 | K | 54.4 | Low | 51.5 | Low | 143 Ų | 143 | 101 Ų | 101 | 62% | 0.622 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -86.4 | -29.6 | 177.3 | -74.9 | 177.2 | 179.4 | 177 | 0 | 113 | M1355 K1356 V1357 S1361 N1362 | M1355-K1359 WeakPolarHBondContact O-CB 3.44Å; M1355-K1359 VanDerWaalsContact O-CG 3.31Å; M1355-K1359 WeakPolarHBondContact O-CG 3.36Å; M1355-K1359 PolarHBondContact O-N 3.27Å; M1355-K1359 VanDerWaalsContact O-N 3.12Å; K1356-K1359 PolarHBondContact O-N 3.22Å; V1357-K1359 VanDerWaalsContact C-N 3.28Å; V1357-K1359 PolarHBondContact O-N 3.17Å; V1357-K1359 VanDerWaalsContact O-N 3.14Å; K1359-S1361 VanDerWaalsContact C-N 3.32Å; K1359-S1361 PolarHBondContact O-N 2.85Å; K1359-N1362 PolarHBondContact O-N 3.38Å |
| 1360 | S | 51.1 | Low | 49.6 | Very low | 79.4 Ų | 79.4 | 102.3 Ų | 102.3 | 56% | 0.555 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.2 | -28 | -179.8 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | K1356 V1357 N1362 S1363 | K1356-S1360 PolarHBondContact O-N 3.15Å; K1356-S1360 VanDerWaalsContact O-N 3.12Å; V1357-S1360 WeakPolarHBondContact O-CB 3.25Å; V1357-S1360 PolarHBondContact O-N 3.35Å; V1357-S1360 PolarHBondContact O-OG 3.08Å; V1357-S1360 VanDerWaalsContact O-OG 3.12Å; S1360-N1362 PolarHBondContact O-N 3.16Å; S1360-S1363 PolarHBondContact O-N 3.13Å |
| 1361 | S | 46.9 | Very low | 47.8 | Very low | 77.8 Ų | 77.8 | 105.7 Ų | 105.7 | 54% | 0.544 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -28.9 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | V1357 S1358 K1359 S1363 L1364 | V1357-S1361 PolarHBondContact O-N 2.71Å; V1357-S1361 PolarHBondContact O-OG 2.63Å; S1358-S1361 PolarHBondContact O-OG 3.31Å; K1359-S1361 VanDerWaalsContact C-N 3.32Å; K1359-S1361 PolarHBondContact O-N 2.85Å; S1361-S1363 VanDerWaalsContact C-N 3.31Å; S1361-S1363 PolarHBondContact O-N 2.99Å; S1361-L1364 PolarHBondContact O-N 3.05Å |
| 1362 | N | 44.5 | Very low | 45.9 | Very low | 146.6 Ų | 146.6 | 113.3 Ų | 113.3 | 78% | 0.784 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 0.3 | -175.8 | -76.4 | -2.4 | 0 | 0 | 0 | 114.2 | K1359 S1360 L1364 | K1359-N1362 PolarHBondContact O-N 3.38Å; S1360-N1362 PolarHBondContact O-N 3.16Å; N1362-L1364 VanDerWaalsContact C-N 3.3Å |
| 1363 | S | 40.1 | Very low | 44 | Very low | 91 Ų | 91 | 117.7 Ų | 117.7 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 30.7 | -179.4 | 172.7 | 0 | 0 | 0 | 0 | 113.3 | S1360 S1361 N1365 | S1360-S1363 PolarHBondContact O-N 3.13Å; S1361-S1363 VanDerWaalsContact C-N 3.31Å; S1361-S1363 PolarHBondContact O-N 2.99Å; S1363-N1365 VanDerWaalsContact C-N 3.29Å; S1363-N1365 PolarHBondContact O-N 3.03Å |
| 1364 | L | 35.9 | Very low | 42.2 | Very low | 148.4 Ų | 148.4 | 117.3 Ų | 117.3 | 78% | 0.777 | 67% | 0.671 | S | S | * | * | trans | -82 | 78.5 | 176.7 | -76.1 | 161.5 | 0 | 0 | 0 | 113.7 | S1361 N1362 S1366 | S1361-L1364 PolarHBondContact O-N 3.05Å; N1362-L1364 VanDerWaalsContact C-N 3.3Å; L1364-S1366 PolarHBondContact O-N 2.91Å | ||
| 1365 | N | 32.7 | Very low | 40.6 | Very low | 163.6 Ų | 163.6 | 120.3 Ų | 120.3 | 88% | 0.875 | 69% | 0.69 | S | S | * | * | trans | -144 | 79.4 | 162.7 | -81.2 | -32.7 | 0 | 0 | 0 | 114.6 | S1363 | S1363-N1365 VanDerWaalsContact C-N 3.29Å; S1363-N1365 PolarHBondContact O-N 3.03Å | ||
| 1366 | S | 33.1 | Very low | 39.3 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -155.9 | 152.1 | 153.4 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | L1364 | L1364-S1366 PolarHBondContact O-N 2.91Š| ||
| 1367 | S | 33.2 | Very low | 37.7 | Very low | 110.6 Ų | 110.6 | 126.5 Ų | 126.5 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -122.5 | 118.5 | -170.8 | 64.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1368 | S | 30.5 | Very low | 36.2 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | 50.7 | 121.1 | 141.5 | -41.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1369 | K | 32.1 | Very low | 35 | Very low | 200 Ų | 200 | 132.5 Ų | 132.5 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | 121.4 | 117.6 | 140.1 | -78.5 | 170.4 | -177.6 | 177.9 | 0 | 117.2 | ||||
| 1370 | S | 29.9 | Very low | 34 | Very low | 112.2 Ų | 112.2 | 130.6 Ų | 130.6 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 159.3 | 134.7 | 143.5 | 53.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1371 | V | 31.1 | Very low | 33.1 | Very low | 121.6 Ų | 121.6 | 131.7 Ų | 131.7 | 74% | 0.737 | 76% | 0.756 | S | S | * | * | trans | -166.1 | 138.1 | 132.9 | 162.9 | 0 | 0 | 0 | 0 | 110.7 | A1374 | V1371-A1374 HydrophobicContact CG1-CB 3.91Š| ||
| 1372 | Y | 29.7 | Very low | 32.5 | Very low | 216.2 Ų | 216.2 | 131.8 Ų | 131.8 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -50 | 115.9 | 172.4 | -64.3 | -78.9 | 0 | 0 | 0 | 116.5 | ||||
| 1373 | T | 28.8 | Very low | 32 | Very low | 126.6 Ų | 126.6 | 132.3 Ų | 132.3 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | -167.3 | 104 | 129.6 | 33.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 1374 | A | 29.9 | Very low | 31.7 | Very low | 85.4 Ų | 85.4 | 134 Ų | 134 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -166.4 | 118.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1371 | V1371-A1374 HydrophobicContact CG1-CB 3.91Š| ||
| 1375 | D | 30.5 | Very low | 31.8 | Very low | 142.8 Ų | 142.8 | 134 Ų | 134 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | -116.7 | 116.1 | 171.9 | -93.8 | -36.9 | 0 | 0 | 0 | 110.8 | K1356 | K1356-D1375 IonicContact NZ-OD1 3.54Å; K1356-D1375 PolarHBondContact NZ-OD1 3.46Å; K1356-D1375 IonicContact NZ-OD2 3.53Å; K1356-D1375 PolarHBondContact NZ-OD2 2.75Å | ||
| 1376 | I | 32.3 | Very low | 32.1 | Very low | 148.6 Ų | 148.6 | 130.9 Ų | 130.9 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -118.9 | 129.4 | 167.3 | -63.5 | 175.3 | 0 | 0 | 0 | 109.6 | C1378 | I1376-C1378 PolarHBondContact O-N 3.37Š| ||
| 1377 | D | 28.3 | Very low | 32.3 | Very low | 148.8 Ų | 148.8 | 129.6 Ų | 129.6 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | trans | -35.9 | 103.7 | 178.7 | -76.6 | -50.8 | 0 | 0 | 0 | 115.5 | K1379 | D1377-K1379 VanDerWaalsContact C-N 3.26Å; D1377-K1379 PolarHBondContact O-N 2.97Å | ||
| 1378 | C | 30 | Very low | 32.4 | Very low | 110.6 Ų | 110.6 | 130.6 Ų | 130.6 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | trans | -113 | 88.1 | 157.8 | -89.4 | 0 | 0 | 0 | 0 | 109.9 | K1356 I1376 | K1356-C1378 PolarHBondContact NZ-SG 2.88Å; I1376-C1378 PolarHBondContact O-N 3.37Å | ||
| 1379 | K | 29.6 | Very low | 32.7 | Very low | 185.6 Ų | 185.6 | 133.6 Ų | 133.6 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.4 | 167.5 | -112.5 | 176.7 | -179.3 | 171.8 | 0 | 109.5 | D1377 | D1377-K1379 VanDerWaalsContact C-N 3.26Å; D1377-K1379 PolarHBondContact O-N 2.97Å |
| 1380 | P | 33.3 | Very low | 32.8 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 136.8 | 171 | 28 | -32.8 | 0 | 0 | 0 | 109.4 | S1382 | P1380-S1382 PolarHBondContact O-N 3.22Š|
| 1381 | P | 32.6 | Very low | 32.9 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 137.8 | 179.1 | 27.3 | -33.7 | 0 | 0 | 0 | 110.7 | C1352 E1385 V1386 | C1352-P1381 VanDerWaalsContact SG-CD 3.58Å; P1381-E1385 WeakPolarHBondContact CB-OE2 3.43Å; P1381-V1386 HydrophobicContact CB-CG2 4.26Å; P1381-V1386 HydrophobicContact CG-CG2 3.91Å |
| 1382 | S | 33.4 | Very low | 33 | Very low | 79.2 Ų | 79.2 | 130.9 Ų | 130.9 | 55% | 0.554 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 147.6 | 174.2 | 141.7 | 0 | 0 | 0 | 0 | 110.8 | P1380 E1384 E1385 V1386 | P1380-S1382 PolarHBondContact O-N 3.22Å; S1382-E1384 VanDerWaalsContact C-N 3.34Å; S1382-E1384 PolarHBondContact O-N 3.29Å; S1382-E1384 VanDerWaalsContact O-N 3.08Å; S1382-E1384 PolarHBondContact OG-N 3Å; S1382-E1384 PolarHBondContact OG-OE2 2.8Å; S1382-E1385 PolarHBondContact N-OE2 3.31Å; S1382-E1385 WeakPolarHBondContact O-CB 3.21Å; S1382-E1385 PolarHBondContact O-N 3.18Å; S1382-V1386 PolarHBondContact O-N 3.09Å; S1382-V1386 VanDerWaalsContact O-N 3.09Å |
| 1383 | Y | 34.1 | Very low | 33.3 | Very low | 159 Ų | 159 | 126.3 Ų | 126.3 | 62% | 0.624 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -20.8 | 177.9 | 107.2 | -89.1 | 0 | 0 | 0 | 113.1 | E1385 V1386 V1387 L1483 | Y1383-E1385 VanDerWaalsContact C-N 3.3Å; Y1383-E1385 PolarHBondContact O-N 3.35Å; Y1383-V1386 PolarHBondContact O-N 3.06Å; Y1383-V1387 HydrophobicContact CD1-CG2 4.26Å; Y1383-V1387 HydrophobicContact CE1-CG2 3.81Å; Y1383-V1387 HydrophobicContact CE2-CG2 4.12Å; Y1383-V1387 WeakPolarHBondContact O-CG2 3.45Å; Y1383-V1387 PolarHBondContact O-N 3.06Å; Y1383-L1483 HydrophobicContact CE2-CB 4.35Å; Y1383-L1483 WeakPolarHBondContact CE2-O 3.35Å; Y1383-L1483 PolarHBondContact OH-O 2.86Å |
| 1384 | E | 35.5 | Very low | 33.6 | Very low | 125.8 Ų | 125.8 | 125 Ų | 125 | 59% | 0.588 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -23.6 | -171.6 | -58.9 | 176.3 | 150.4 | 0 | 0 | 115 | S1382 V1386 V1387 N1388 | S1382-E1384 VanDerWaalsContact C-N 3.34Å; S1382-E1384 PolarHBondContact O-N 3.29Å; S1382-E1384 VanDerWaalsContact O-N 3.08Å; S1382-E1384 PolarHBondContact OG-N 3Å; S1382-E1384 PolarHBondContact OG-OE2 2.8Å; E1384-V1386 PolarHBondContact O-N 2.91Å; E1384-V1387 PolarHBondContact O-N 3.2Å; E1384-N1388 WeakPolarHBondContact O-CB 3.39Å; E1384-N1388 PolarHBondContact O-N 3.22Å; E1384-N1388 PolarHBondContact O-ND2 3.34Å; E1384-N1388 VanDerWaalsContact O-ND2 3.11Å |
| 1385 | E | 37.1 | Very low | 33.7 | Very low | 147.6 Ų | 147.6 | 127.4 Ų | 127.4 | 69% | 0.69 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -82 | -16.6 | -173.7 | -149.5 | -178.9 | 177.7 | 0 | 0 | 114.2 | P1381 S1382 Y1383 V1387 K1389 | P1381-E1385 WeakPolarHBondContact CB-OE2 3.43Å; S1382-E1385 PolarHBondContact N-OE2 3.31Å; S1382-E1385 WeakPolarHBondContact O-CB 3.21Å; S1382-E1385 PolarHBondContact O-N 3.18Å; Y1383-E1385 VanDerWaalsContact C-N 3.3Å; Y1383-E1385 PolarHBondContact O-N 3.35Å; E1385-V1387 PolarHBondContact O-N 3.01Å; E1385-K1389 WeakPolarHBondContact O-CB 3.37Å; E1385-K1389 PolarHBondContact O-N 2.61Å; E1385-K1389 IonicContact OE1-NZ 3.87Å; E1385-K1389 PolarHBondContact OE1-NZ 3.37Å |
| 1386 | V | 39.6 | Very low | 33.9 | Very low | 100.2 Ų | 100.2 | 127.8 Ų | 127.8 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -81 | -25.4 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | Y1351 P1381 S1382 Y1383 E1384 N1388 K1389 M1390 | Y1351-V1386 HydrophobicContact CE1-CG1 3.77Å; P1381-V1386 HydrophobicContact CB-CG2 4.26Å; P1381-V1386 HydrophobicContact CG-CG2 3.91Å; S1382-V1386 PolarHBondContact O-N 3.09Å; S1382-V1386 VanDerWaalsContact O-N 3.09Å; Y1383-V1386 PolarHBondContact O-N 3.06Å; E1384-V1386 PolarHBondContact O-N 2.91Å; V1386-N1388 PolarHBondContact O-N 3.11Å; V1386-K1389 WeakPolarHBondContact O-CB 3.15Å; V1386-K1389 PolarHBondContact O-N 3.3Å; V1386-M1390 HydrophobicContact CG1-CE 4.28Å; V1386-M1390 PolarHBondContact O-N 3.18Å |
| 1387 | V | 36.5 | Very low | 34 | Very low | 85.4 Ų | 85.4 | 125.7 Ų | 125.7 | 52% | 0.518 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -72.1 | -31.3 | -175.5 | 178.8 | 0 | 0 | 0 | 0 | 112.6 | Y1383 E1384 E1385 K1389 M1390 N1391 | Y1383-V1387 HydrophobicContact CD1-CG2 4.26Å; Y1383-V1387 HydrophobicContact CE1-CG2 3.81Å; Y1383-V1387 HydrophobicContact CE2-CG2 4.12Å; Y1383-V1387 WeakPolarHBondContact O-CG2 3.45Å; Y1383-V1387 PolarHBondContact O-N 3.06Å; E1384-V1387 PolarHBondContact O-N 3.2Å; E1385-V1387 PolarHBondContact O-N 3.01Å; V1387-K1389 PolarHBondContact O-N 3.21Å; V1387-K1389 VanDerWaalsContact O-N 3.08Å; V1387-M1390 WeakPolarHBondContact O-CB 3.49Å; V1387-M1390 PolarHBondContact O-N 3.23Å; V1387-N1391 PolarHBondContact O-N 3.22Å; V1387-N1391 PolarHBondContact O-ND2 2.87Å |
| 1388 | N | 35.6 | Very low | 34.2 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 14.2 | -169.6 | -73 | -36.6 | 0 | 0 | 0 | 114.7 | E1384 V1386 N1391 S1392 | E1384-N1388 WeakPolarHBondContact O-CB 3.39Å; E1384-N1388 PolarHBondContact O-N 3.22Å; E1384-N1388 PolarHBondContact O-ND2 3.34Å; E1384-N1388 VanDerWaalsContact O-ND2 3.11Å; V1386-N1388 PolarHBondContact O-N 3.11Å; N1388-N1391 PolarHBondContact O-N 3.32Å; N1388-S1392 PolarHBondContact O-N 3.44Å |
| 1389 | K | 37.8 | Very low | 34.2 | Very low | 170.2 Ų | 170.2 | 127.5 Ų | 127.5 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | trans | -125.9 | 40.1 | 177.9 | -127.9 | 170.2 | -167 | 153 | 0 | 114.1 | E1385 V1386 V1387 S1392 T1393 | E1385-K1389 WeakPolarHBondContact O-CB 3.37Å; E1385-K1389 PolarHBondContact O-N 2.61Å; E1385-K1389 IonicContact OE1-NZ 3.87Å; E1385-K1389 PolarHBondContact OE1-NZ 3.37Å; V1386-K1389 WeakPolarHBondContact O-CB 3.15Å; V1386-K1389 PolarHBondContact O-N 3.3Å; V1387-K1389 PolarHBondContact O-N 3.21Å; V1387-K1389 VanDerWaalsContact O-N 3.08Å; K1389-S1392 PolarHBondContact O-OG 3.35Å; K1389-T1393 PolarHBondContact O-OG1 3.03Å | ||
| 1390 | M | 33.6 | Very low | 34.5 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | trans | -131.1 | 47 | 165.2 | -98.8 | 137.7 | 169 | 0 | 0 | 111.6 | Y1351 V1386 V1387 S1392 T1393 | Y1351-M1390 WeakPolarHBondContact OH-CE 3.26Å; V1386-M1390 HydrophobicContact CG1-CE 4.28Å; V1386-M1390 PolarHBondContact O-N 3.18Å; V1387-M1390 WeakPolarHBondContact O-CB 3.49Å; V1387-M1390 PolarHBondContact O-N 3.23Å; M1390-S1392 VanDerWaalsContact C-N 3.3Å; M1390-S1392 PolarHBondContact O-N 3.05Å; M1390-T1393 PolarHBondContact O-N 3.47Å | ||
| 1391 | N | 32 | Very low | 34.3 | Very low | 134.8 Ų | 134.8 | 126.2 Ų | 126.2 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | trans | -91.2 | 79.7 | -178.3 | -78.7 | -28.5 | 0 | 0 | 0 | 114.3 | V1387 N1388 T1393 | V1387-N1391 PolarHBondContact O-N 3.22Å; V1387-N1391 PolarHBondContact O-ND2 2.87Å; N1388-N1391 PolarHBondContact O-N 3.32Å; N1391-T1393 VanDerWaalsContact C-N 3.26Å; N1391-T1393 PolarHBondContact O-N 3.1Å | ||
| 1392 | S | 33.4 | Very low | 34.2 | Very low | 102.2 Ų | 102.2 | 128.2 Ų | 128.2 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | trans | -178.5 | 91.2 | -178.1 | 63.1 | 0 | 0 | 0 | 0 | 114.9 | N1388 K1389 M1390 | N1388-S1392 PolarHBondContact O-N 3.44Å; K1389-S1392 PolarHBondContact O-OG 3.35Å; M1390-S1392 VanDerWaalsContact C-N 3.3Å; M1390-S1392 PolarHBondContact O-N 3.05Å | ||
| 1393 | T | 35.6 | Very low | 33.9 | Very low | 119.8 Ų | 119.8 | 132.1 Ų | 132.1 | 74% | 0.735 | 71% | 0.711 | S | S | * | * | cis | -149.5 | 133.4 | -6 | 16.1 | 0 | 0 | 0 | 0 | 111.2 | K1389 M1390 N1391 | K1389-T1393 PolarHBondContact O-OG1 3.03Å; M1390-T1393 PolarHBondContact O-N 3.47Å; N1391-T1393 VanDerWaalsContact C-N 3.26Å; N1391-T1393 PolarHBondContact O-N 3.1Å | ||
| 1394 | S | 34.1 | Very low | 33.7 | Very low | 99.6 Ų | 99.6 | 128.7 Ų | 128.7 | 70% | 0.697 | 71% | 0.711 | S | S | * | * | trans | 174.5 | 130.7 | 154.5 | 61.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1395 | I | 33.5 | Very low | 33.2 | Very low | 135.4 Ų | 135.4 | 130.3 Ų | 130.3 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | 170.9 | 135 | 121.3 | -62.3 | 174.6 | 0 | 0 | 0 | 114.4 | |||||
| 1396 | N | 33.7 | Very low | 32.9 | Very low | 150.8 Ų | 150.8 | 130.7 Ų | 130.7 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | trans | 64.4 | 131.4 | 148.7 | -57.9 | -20.3 | 0 | 0 | 0 | 118.9 | ||||
| 1397 | S | 34.1 | Very low | 32.4 | Very low | 105.6 Ų | 105.6 | 131.7 Ų | 131.7 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | -172.2 | 158.7 | 57.6 | 47.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1398 | E | 32.2 | Very low | 32.1 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | 169.5 | 161.1 | 142.9 | -90.3 | 170.1 | -159.3 | 0 | 0 | 115.9 | ||||
| 1399 | S | 30.5 | Very low | 32 | Very low | 105.8 Ų | 105.8 | 136.9 Ų | 136.9 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | trans | -132 | 178.3 | 179.9 | 69.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1400 | P | 36.1 | Very low | 31.8 | Very low | 97.2 Ų | 97.2 | 133.7 Ų | 133.7 | 63% | 0.631 | 74% | 0.738 | S | S | * | * | cis | -150.6 | -179.2 | 38 | 37.8 | -15.5 | 0 | 0 | 0 | 117.8 | ||||
| 1401 | H | 30.1 | Very low | 31.9 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | 77.8 | 126.1 | 152.6 | -73.3 | -55.9 | 0 | 0 | 0 | 119.6 | ||||
| 1402 | N | 30.5 | Very low | 32.3 | Very low | 145.6 Ų | 145.6 | 131.1 Ų | 131.1 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | 160.3 | 136.2 | 108.9 | -90.4 | -18.9 | 0 | 0 | 0 | 116.1 | S1404 | N1402-S1404 PolarHBondContact O-N 3.19Š| |||
| 1403 | N | 26.9 | Very low | 32.5 | Very low | 160.6 Ų | 160.6 | 131.7 Ų | 131.7 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | trans | -56.2 | 123.3 | 170.7 | -63.5 | -17.8 | 0 | 0 | 0 | 114.9 | ||||
| 1404 | S | 28.4 | Very low | 32.5 | Very low | 87.8 Ų | 87.8 | 130.3 Ų | 130.3 | 61% | 0.614 | 71% | 0.707 | S | S | * | * | trans | -163.7 | 138.5 | 143.6 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | N1402 H1406 | N1402-S1404 PolarHBondContact O-N 3.19Å; S1404-H1406 VanDerWaalsContact C-N 3.32Å; S1404-H1406 VanDerWaalsContact CB-CD2 3.49Å; S1404-H1406 WeakPolarHBondContact CB-CD2 3.48Å; S1404-H1406 WeakPolarHBondContact CB-NE2 3.27Å; S1404-H1406 PolarHBondContact O-N 3.13Å; S1404-H1406 PolarHBondContact OG-CD2 3.13Å; S1404-H1406 VanDerWaalsContact OG-CD2 3.23Å; S1404-H1406 PolarHBondContact OG-CE1 2.9Å; S1404-H1406 PolarHBondContact OG-NE2 3.11Å | ||
| 1405 | I | 26.5 | Very low | 33 | Very low | 158.8 Ų | 158.8 | 129.4 Ų | 129.4 | 81% | 0.814 | 70% | 0.695 | S | S | * | * | trans | -75.2 | 99.6 | 172.7 | -65.8 | 167 | 0 | 0 | 0 | 109.6 | T1407 | I1405-T1407 PolarHBondContact O-N 3.39Š| ||
| 1406 | H | 30.8 | Very low | 33.4 | Very low | 155.6 Ų | 155.6 | 125.7 Ų | 125.7 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | -101.2 | 121.8 | 168.5 | -75.3 | -56.6 | 0 | 0 | 0 | 112.5 | S1404 E1408 | S1404-H1406 VanDerWaalsContact C-N 3.32Å; S1404-H1406 VanDerWaalsContact CB-CD2 3.49Å; S1404-H1406 WeakPolarHBondContact CB-CD2 3.48Å; S1404-H1406 WeakPolarHBondContact CB-NE2 3.27Å; S1404-H1406 PolarHBondContact O-N 3.13Å; S1404-H1406 PolarHBondContact OG-CD2 3.13Å; S1404-H1406 VanDerWaalsContact OG-CD2 3.23Å; S1404-H1406 PolarHBondContact OG-CE1 2.9Å; S1404-H1406 PolarHBondContact OG-NE2 3.11Å; H1406-E1408 PolarHBondContact O-N 3.23Å; H1406-E1408 VanDerWaalsContact O-N 3.16Å | ||
| 1407 | T | 28.1 | Very low | 33.7 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | trans | -77.4 | 113.4 | 161.3 | 40.8 | 0 | 0 | 0 | 0 | 110.4 | I1405 K1409 | I1405-T1407 PolarHBondContact O-N 3.39Å; T1407-K1409 PolarHBondContact O-N 3.5Å | ||
| 1408 | E | 30.3 | Very low | 34.2 | Very low | 168.8 Ų | 168.8 | 123.6 Ų | 123.6 | 79% | 0.789 | 65% | 0.65 | S | S | * | * | trans | -53.2 | 134 | 167.6 | -70.1 | -171.1 | 156.8 | 0 | 0 | 113.4 | H1406 | H1406-E1408 PolarHBondContact O-N 3.23Å; H1406-E1408 VanDerWaalsContact O-N 3.16Å | ||
| 1409 | K | 33.1 | Very low | 34.9 | Very low | 158.8 Ų | 158.8 | 117 Ų | 117 | 69% | 0.69 | 63% | 0.628 | S | S | * | * | trans | -67.8 | 127 | 175.6 | -67.8 | 172.7 | -179.2 | 171.2 | 0 | 111.8 | T1407 L1411 D1412 | T1407-K1409 PolarHBondContact O-N 3.5Å; K1409-L1411 PolarHBondContact O-N 3.16Å; K1409-D1412 PolarHBondContact O-N 3.04Å; K1409-D1412 VanDerWaalsContact O-N 3.16Å | ||
| 1410 | P | 35.2 | Very low | 35.2 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 66% | 0.662 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.9 | -1.7 | 171.8 | 24.1 | -27.4 | 0 | 0 | 0 | 114.5 | D1412 L1413 M1414 | P1410-D1412 VanDerWaalsContact C-N 3.31Å; P1410-D1412 PolarHBondContact O-N 3.24Å; P1410-L1413 PolarHBondContact O-N 3.29Å; P1410-M1414 PolarHBondContact O-N 2.84Å; P1410-M1414 VanDerWaalsContact O-N 3.11Å |
| 1411 | L | 34.7 | Very low | 35.3 | Very low | 118.4 Ų | 118.4 | 119.6 Ų | 119.6 | 62% | 0.62 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75 | -35.3 | 179.4 | -162.9 | 67.7 | 0 | 0 | 0 | 112.5 | K1409 L1413 M1414 N1415 | K1409-L1411 PolarHBondContact O-N 3.16Å; L1411-L1413 VanDerWaalsContact C-N 3.32Å; L1411-L1413 PolarHBondContact O-N 3.02Å; L1411-M1414 PolarHBondContact O-N 3.1Å; L1411-N1415 VanDerWaalsContact O-CB 3.22Å; L1411-N1415 WeakPolarHBondContact O-CB 3.28Å; L1411-N1415 VanDerWaalsContact O-CG 3.26Å; L1411-N1415 PolarHBondContact O-N 3.12Å; L1411-N1415 VanDerWaalsContact O-N 3.1Å; L1411-N1415 PolarHBondContact O-ND2 3.31Å |
| 1412 | D | 41 | Very low | 35.8 | Very low | 103.8 Ų | 103.8 | 117.8 Ų | 117.8 | 56% | 0.555 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.6 | -29.1 | -179 | -66.9 | -44.5 | 0 | 0 | 0 | 112.7 | K1409 P1410 M1414 N1415 S1416 | K1409-D1412 PolarHBondContact O-N 3.04Å; K1409-D1412 VanDerWaalsContact O-N 3.16Å; P1410-D1412 VanDerWaalsContact C-N 3.31Å; P1410-D1412 PolarHBondContact O-N 3.24Å; D1412-M1414 VanDerWaalsContact C-N 3.31Å; D1412-M1414 PolarHBondContact O-N 3.1Å; D1412-N1415 PolarHBondContact O-N 3.15Å; D1412-S1416 VanDerWaalsContact O-CB 3.23Å; D1412-S1416 WeakPolarHBondContact O-CB 3.31Å; D1412-S1416 PolarHBondContact O-N 3.06Å |
| 1413 | L | 37.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 120 Ų | 120 | 60% | 0.597 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.8 | -43.9 | 171.1 | -173.1 | 70.7 | 0 | 0 | 0 | 111.2 | P1410 L1411 N1415 S1416 I1417 | P1410-L1413 PolarHBondContact O-N 3.29Å; L1411-L1413 VanDerWaalsContact C-N 3.32Å; L1411-L1413 PolarHBondContact O-N 3.02Å; L1413-N1415 VanDerWaalsContact C-N 3.34Å; L1413-N1415 PolarHBondContact O-N 3.15Å; L1413-S1416 WeakPolarHBondContact O-CB 3.31Å; L1413-S1416 PolarHBondContact O-N 3.11Å; L1413-S1416 VanDerWaalsContact O-N 3.15Å; L1413-I1417 HydrophobicContact CD1-CD1 4.28Å; L1413-I1417 HydrophobicContact CD1-CG1 4.43Å; L1413-I1417 HydrophobicContact CD2-CD1 4.21Å; L1413-I1417 HydrophobicContact CG-CD1 4Å; L1413-I1417 WeakPolarHBondContact O-CB 3.28Å; L1413-I1417 WeakPolarHBondContact O-CD1 3.43Å; L1413-I1417 VanDerWaalsContact O-CG1 3.27Å; L1413-I1417 WeakPolarHBondContact O-CG1 3.41Å; L1413-I1417 PolarHBondContact O-N 3.28Å |
| 1414 | M | 34.5 | Very low | 36.5 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.4 | -36.7 | 176.5 | -89.7 | -67.8 | -77.7 | 0 | 0 | 112.4 | P1410 L1411 D1412 I1417 R1418 | P1410-M1414 PolarHBondContact O-N 2.84Å; P1410-M1414 VanDerWaalsContact O-N 3.11Å; L1411-M1414 PolarHBondContact O-N 3.1Å; D1412-M1414 VanDerWaalsContact C-N 3.31Å; D1412-M1414 PolarHBondContact O-N 3.1Å; M1414-I1417 PolarHBondContact O-N 2.89Å; M1414-R1418 VanDerWaalsContact O-CB 3.26Å; M1414-R1418 WeakPolarHBondContact O-CB 3.35Å; M1414-R1418 PolarHBondContact O-N 3.01Å |
| 1415 | N | 45.1 | Very low | 37 | Very low | 81.4 Ų | 81.4 | 121.6 Ų | 121.6 | 44% | 0.435 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.8 | -35.7 | 172.2 | -73.5 | -26.4 | 0 | 0 | 0 | 112.1 | L1411 D1412 L1413 R1418 A1419 | L1411-N1415 VanDerWaalsContact O-CB 3.22Å; L1411-N1415 WeakPolarHBondContact O-CB 3.28Å; L1411-N1415 VanDerWaalsContact O-CG 3.26Å; L1411-N1415 PolarHBondContact O-N 3.12Å; L1411-N1415 VanDerWaalsContact O-N 3.1Å; L1411-N1415 PolarHBondContact O-ND2 3.31Å; D1412-N1415 PolarHBondContact O-N 3.15Å; L1413-N1415 VanDerWaalsContact C-N 3.34Å; L1413-N1415 PolarHBondContact O-N 3.15Å; N1415-R1418 PolarHBondContact O-N 3.22Å; N1415-A1419 WeakPolarHBondContact O-CA 3.38Å; N1415-A1419 VanDerWaalsContact O-CB 3.26Å; N1415-A1419 WeakPolarHBondContact O-CB 3.27Å; N1415-A1419 PolarHBondContact O-N 3.17Å |
| 1416 | S | 42.4 | Very low | 37.5 | Very low | 56.4 Ų | 56.4 | 117.7 Ų | 117.7 | 39% | 0.394 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -41.5 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | D1412 L1413 A1419 K1420 | D1412-S1416 VanDerWaalsContact O-CB 3.23Å; D1412-S1416 WeakPolarHBondContact O-CB 3.31Å; D1412-S1416 PolarHBondContact O-N 3.06Å; L1413-S1416 WeakPolarHBondContact O-CB 3.31Å; L1413-S1416 PolarHBondContact O-N 3.11Å; L1413-S1416 VanDerWaalsContact O-N 3.15Å; S1416-A1419 PolarHBondContact O-N 2.98Å; S1416-K1420 VanDerWaalsContact O-CB 3.27Å; S1416-K1420 WeakPolarHBondContact O-CB 3.36Å; S1416-K1420 VanDerWaalsContact O-CG 3.28Å; S1416-K1420 WeakPolarHBondContact O-CG 3.44Å; S1416-K1420 PolarHBondContact O-N 3.18Å |
| 1417 | I | 40.5 | Very low | 37.8 | Very low | 71.4 Ų | 71.4 | 114.3 Ų | 114.3 | 37% | 0.366 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65 | -47 | 172.7 | -69 | 166.4 | 0 | 0 | 0 | 110.1 | L1413 M1414 A1419 K1420 F1421 | L1413-I1417 HydrophobicContact CD1-CD1 4.28Å; L1413-I1417 HydrophobicContact CD1-CG1 4.43Å; L1413-I1417 HydrophobicContact CD2-CD1 4.21Å; L1413-I1417 HydrophobicContact CG-CD1 4Å; L1413-I1417 WeakPolarHBondContact O-CB 3.28Å; L1413-I1417 WeakPolarHBondContact O-CD1 3.43Å; L1413-I1417 VanDerWaalsContact O-CG1 3.27Å; L1413-I1417 WeakPolarHBondContact O-CG1 3.41Å; L1413-I1417 PolarHBondContact O-N 3.28Å; M1414-I1417 PolarHBondContact O-N 2.89Å; I1417-A1419 PolarHBondContact O-N 2.97Å; I1417-K1420 WeakPolarHBondContact O-CB 3.28Å; I1417-K1420 PolarHBondContact O-N 3.16Å; I1417-K1420 VanDerWaalsContact O-N 3.14Å; I1417-F1421 HydrophobicContact CG2-CD2 3.87Å; I1417-F1421 HydrophobicContact CG2-CE2 4.02Å; I1417-F1421 WeakPolarHBondContact O-CD2 3.41Å; I1417-F1421 PolarHBondContact O-N 3.15Å |
| 1418 | R | 43.8 | Very low | 38.2 | Very low | 141.2 Ų | 141.2 | 113.2 Ų | 113.2 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.6 | -42.2 | 177 | -176.1 | 169.5 | -69.2 | -144.4 | -2.4 | 112.1 | M1414 N1415 F1421 Q1422 | M1414-R1418 VanDerWaalsContact O-CB 3.26Å; M1414-R1418 WeakPolarHBondContact O-CB 3.35Å; M1414-R1418 PolarHBondContact O-N 3.01Å; N1415-R1418 PolarHBondContact O-N 3.22Å; R1418-F1421 PolarHBondContact O-N 3Å; R1418-Q1422 WeakPolarHBondContact O-CB 3.43Å; R1418-Q1422 WeakPolarHBondContact O-CG 3.34Å; R1418-Q1422 PolarHBondContact O-N 3.22Å |
| 1419 | A | 45.9 | Very low | 38.6 | Very low | 50.8 Ų | 50.8 | 111.8 Ų | 111.8 | 42% | 0.42 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.7 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1415 S1416 I1417 Q1422 R1423 | N1415-A1419 WeakPolarHBondContact O-CA 3.38Å; N1415-A1419 VanDerWaalsContact O-CB 3.26Å; N1415-A1419 WeakPolarHBondContact O-CB 3.27Å; N1415-A1419 PolarHBondContact O-N 3.17Å; S1416-A1419 PolarHBondContact O-N 2.98Å; I1417-A1419 PolarHBondContact O-N 2.97Å; A1419-Q1422 PolarHBondContact O-N 3.13Å; A1419-R1423 WeakPolarHBondContact O-CA 3.47Å; A1419-R1423 WeakPolarHBondContact O-CB 3.31Å; A1419-R1423 PolarHBondContact O-N 3.14Å |
| 1420 | K | 38.8 | Very low | 38.8 | Very low | 133.4 Ų | 133.4 | 111.1 Ų | 111.1 | 58% | 0.58 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.9 | -47.8 | 171 | -81.6 | 178.7 | 177.6 | -179.7 | 0 | 111.1 | S1416 I1417 Q1422 R1423 F1424 | S1416-K1420 VanDerWaalsContact O-CB 3.27Å; S1416-K1420 WeakPolarHBondContact O-CB 3.36Å; S1416-K1420 VanDerWaalsContact O-CG 3.28Å; S1416-K1420 WeakPolarHBondContact O-CG 3.44Å; S1416-K1420 PolarHBondContact O-N 3.18Å; I1417-K1420 WeakPolarHBondContact O-CB 3.28Å; I1417-K1420 PolarHBondContact O-N 3.16Å; I1417-K1420 VanDerWaalsContact O-N 3.14Å; K1420-Q1422 VanDerWaalsContact C-N 3.34Å; K1420-Q1422 PolarHBondContact O-N 3.27Å; K1420-R1423 PolarHBondContact O-N 3.13Å; K1420-F1424 HydrophobicContact CB-CE2 4.32Å; K1420-F1424 WeakPolarHBondContact O-CB 3.34Å; K1420-F1424 VanDerWaalsContact O-CD2 3.28Å; K1420-F1424 WeakPolarHBondContact O-CD2 3.4Å; K1420-F1424 WeakPolarHBondContact O-CE2 3.29Å; K1420-F1424 PolarHBondContact O-N 3.08Å |
| 1421 | F | 37.3 | Very low | 38.8 | Very low | 124 Ų | 124 | 112.8 Ų | 112.8 | 54% | 0.544 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 176.4 | -90 | -79.4 | 0 | 0 | 0 | 113.2 | I1417 R1418 R1423 F1424 H1425 | I1417-F1421 HydrophobicContact CG2-CD2 3.87Å; I1417-F1421 HydrophobicContact CG2-CE2 4.02Å; I1417-F1421 WeakPolarHBondContact O-CD2 3.41Å; I1417-F1421 PolarHBondContact O-N 3.15Å; R1418-F1421 PolarHBondContact O-N 3Å; F1421-R1423 PolarHBondContact O-N 2.81Å; F1421-R1423 VanDerWaalsContact O-N 3.16Å; F1421-F1424 VanDerWaalsContact O-CB 3.31Å; F1421-F1424 WeakPolarHBondContact O-CB 3.19Å; F1421-F1424 PolarHBondContact O-N 3Å; F1421-H1425 PolarHBondContact O-CD2 2.89Å; F1421-H1425 VanDerWaalsContact O-CD2 3.31Å; F1421-H1425 PolarHBondContact O-N 3.2Å; F1421-H1425 VanDerWaalsContact O-N 3.14Å |
| 1422 | Q | 40.9 | Very low | 38.8 | Very low | 127 Ų | 127 | 114.5 Ų | 114.5 | 59% | 0.593 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.2 | -31.3 | 176.1 | -75.4 | 178 | -46.4 | 0 | 0 | 112.8 | R1418 A1419 K1420 F1424 H1425 S1426 | R1418-Q1422 WeakPolarHBondContact O-CB 3.43Å; R1418-Q1422 WeakPolarHBondContact O-CG 3.34Å; R1418-Q1422 PolarHBondContact O-N 3.22Å; A1419-Q1422 PolarHBondContact O-N 3.13Å; K1420-Q1422 VanDerWaalsContact C-N 3.34Å; K1420-Q1422 PolarHBondContact O-N 3.27Å; Q1422-F1424 VanDerWaalsContact C-N 3.29Å; Q1422-F1424 PolarHBondContact O-N 3.39Å; Q1422-H1425 PolarHBondContact O-N 2.93Å; Q1422-S1426 WeakPolarHBondContact O-CB 3.47Å; Q1422-S1426 PolarHBondContact O-N 3.14Å; Q1422-S1426 PolarHBondContact O-OG 3.28Å; Q1422-S1426 VanDerWaalsContact O-OG 3.08Å |
| 1423 | R | 37.4 | Very low | 38.8 | Very low | 192.2 Ų | 192.2 | 118.4 Ų | 118.4 | 73% | 0.725 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.1 | -30.3 | 173.7 | -133 | 175.6 | -171.1 | 153 | 1.5 | 112.5 | A1419 K1420 F1421 H1425 S1426 T1427 | A1419-R1423 WeakPolarHBondContact O-CA 3.47Å; A1419-R1423 WeakPolarHBondContact O-CB 3.31Å; A1419-R1423 PolarHBondContact O-N 3.14Å; K1420-R1423 PolarHBondContact O-N 3.13Å; F1421-R1423 PolarHBondContact O-N 2.81Å; F1421-R1423 VanDerWaalsContact O-N 3.16Å; R1423-H1425 VanDerWaalsContact C-N 3.33Å; R1423-H1425 PolarHBondContact O-N 3.37Å; R1423-H1425 VanDerWaalsContact O-N 3.11Å; R1423-S1426 WeakPolarHBondContact CA-OG 3.3Å; R1423-S1426 CarbonylContact O-C 3.37Å; R1423-S1426 PolarHBondContact O-N 3.14Å; R1423-S1426 PolarHBondContact O-OG 3.11Å; R1423-T1427 HydrophobicContact CG-CG2 4.09Å; R1423-T1427 WeakPolarHBondContact O-CB 3.29Å; R1423-T1427 WeakPolarHBondContact O-CG2 3.44Å; R1423-T1427 PolarHBondContact O-N 3.26Å; R1423-T1427 VanDerWaalsContact O-N 3.14Å; R1423-T1427 PolarHBondContact O-OG1 3.29Å |
| 1424 | F | 35.3 | Very low | 38.8 | Very low | 132.6 Ų | 132.6 | 118.8 Ų | 118.8 | 58% | 0.582 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.1 | -24.1 | 175.9 | -82.2 | -67.1 | 0 | 0 | 0 | 113.6 | K1420 F1421 Q1422 T1427 T1428 | K1420-F1424 HydrophobicContact CB-CE2 4.32Å; K1420-F1424 WeakPolarHBondContact O-CB 3.34Å; K1420-F1424 VanDerWaalsContact O-CD2 3.28Å; K1420-F1424 WeakPolarHBondContact O-CD2 3.4Å; K1420-F1424 WeakPolarHBondContact O-CE2 3.29Å; K1420-F1424 PolarHBondContact O-N 3.08Å; F1421-F1424 VanDerWaalsContact O-CB 3.31Å; F1421-F1424 WeakPolarHBondContact O-CB 3.19Å; F1421-F1424 PolarHBondContact O-N 3Å; Q1422-F1424 VanDerWaalsContact C-N 3.29Å; Q1422-F1424 PolarHBondContact O-N 3.39Å; F1424-T1427 PolarHBondContact O-OG1 3.44Å; F1424-T1428 WeakPolarHBondContact O-CG2 3.34Å; F1424-T1428 PolarHBondContact O-N 3.34Å; F1424-T1428 PolarHBondContact O-OG1 3.09Å |
| 1425 | H | 37.3 | Very low | 39 | Very low | 149.4 Ų | 149.4 | 117.8 Ų | 117.8 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -88 | -14.1 | 176.3 | -82.4 | -64 | 0 | 0 | 0 | 114.4 | F1421 Q1422 R1423 T1428 | F1421-H1425 PolarHBondContact O-CD2 2.89Å; F1421-H1425 VanDerWaalsContact O-CD2 3.31Å; F1421-H1425 PolarHBondContact O-N 3.2Å; F1421-H1425 VanDerWaalsContact O-N 3.14Å; Q1422-H1425 PolarHBondContact O-N 2.93Å; R1423-H1425 VanDerWaalsContact C-N 3.33Å; R1423-H1425 PolarHBondContact O-N 3.37Å; R1423-H1425 VanDerWaalsContact O-N 3.11Å; H1425-T1428 WeakPolarHBondContact CA-OG1 3.37Å; H1425-T1428 PolarHBondContact O-OG1 3.42Å |
| 1426 | S | 37.3 | Very low | 38.8 | Very low | 77.4 Ų | 77.4 | 117.8 Ų | 117.8 | 54% | 0.541 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -99.1 | -8 | 176.5 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | Q1422 R1423 | Q1422-S1426 WeakPolarHBondContact O-CB 3.47Å; Q1422-S1426 PolarHBondContact O-N 3.14Å; Q1422-S1426 PolarHBondContact O-OG 3.28Å; Q1422-S1426 VanDerWaalsContact O-OG 3.08Å; R1423-S1426 WeakPolarHBondContact CA-OG 3.3Å; R1423-S1426 CarbonylContact O-C 3.37Å; R1423-S1426 PolarHBondContact O-N 3.14Å; R1423-S1426 PolarHBondContact O-OG 3.11Å |
| 1427 | T | 36.8 | Very low | 38.8 | Very low | 83.6 Ų | 83.6 | 118.7 Ų | 118.7 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -82.5 | 5.6 | 176 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | R1423 F1424 D1429 L1430 L1431 | R1423-T1427 HydrophobicContact CG-CG2 4.09Å; R1423-T1427 WeakPolarHBondContact O-CB 3.29Å; R1423-T1427 WeakPolarHBondContact O-CG2 3.44Å; R1423-T1427 PolarHBondContact O-N 3.26Å; R1423-T1427 VanDerWaalsContact O-N 3.14Å; R1423-T1427 PolarHBondContact O-OG1 3.29Å; F1424-T1427 PolarHBondContact O-OG1 3.44Å; T1427-D1429 VanDerWaalsContact C-N 3.31Å; T1427-D1429 PolarHBondContact O-N 3.02Å; T1427-L1430 PolarHBondContact O-N 3.19Å; T1427-L1431 WeakPolarHBondContact O-CB 3.37Å; T1427-L1431 VanDerWaalsContact O-CG 3.26Å; T1427-L1431 WeakPolarHBondContact O-CG 3.25Å; T1427-L1431 PolarHBondContact O-N 3.38Å |
| 1428 | T | 36.7 | Very low | 38.9 | Very low | 99.2 Ų | 99.2 | 120.7 Ų | 120.7 | 61% | 0.609 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -9.2 | 168.3 | 36.3 | 0 | 0 | 0 | 0 | 113.4 | F1424 H1425 N1432 | F1424-T1428 WeakPolarHBondContact O-CG2 3.34Å; F1424-T1428 PolarHBondContact O-N 3.34Å; F1424-T1428 PolarHBondContact O-OG1 3.09Å; H1425-T1428 WeakPolarHBondContact CA-OG1 3.37Å; H1425-T1428 PolarHBondContact O-OG1 3.42Å; T1428-N1432 PolarHBondContact O-ND2 3.31Å; T1428-N1432 VanDerWaalsContact O-ND2 3.08Å; T1428-N1432 PolarHBondContact O-OD1 3.13Å |
| 1429 | D | 38.3 | Very low | 38.8 | Very low | 140.8 Ų | 140.8 | 120.5 Ų | 120.5 | 75% | 0.753 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -5.1 | 173.1 | -73.5 | -20.9 | 0 | 0 | 0 | 114.3 | T1427 | T1427-D1429 VanDerWaalsContact C-N 3.31Å; T1427-D1429 PolarHBondContact O-N 3.02Å |
| 1430 | L | 37.5 | Very low | 38.6 | Very low | 143.8 Ų | 143.8 | 121.9 Ų | 121.9 | 75% | 0.753 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -123.8 | 69.9 | 175.6 | -88.9 | 112.4 | 0 | 0 | 0 | 115.2 | T1427 N1432 | T1427-L1430 PolarHBondContact O-N 3.19Å; L1430-N1432 VanDerWaalsContact C-N 3.34Å |
| 1431 | L | 36.3 | Very low | 38.7 | Very low | 137.6 Ų | 137.6 | 121.9 Ų | 121.9 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | trans | -163.2 | 83.3 | 153.5 | -82.3 | 166.4 | 0 | 0 | 0 | 115 | T1427 K1433 T1434 | T1427-L1431 WeakPolarHBondContact O-CB 3.37Å; T1427-L1431 VanDerWaalsContact O-CG 3.26Å; T1427-L1431 WeakPolarHBondContact O-CG 3.25Å; T1427-L1431 PolarHBondContact O-N 3.38Å; L1431-K1433 PolarHBondContact O-N 3.25Å; L1431-K1433 VanDerWaalsContact O-N 3.12Å; L1431-T1434 PolarHBondContact O-N 3.21Å; L1431-T1434 PolarHBondContact O-OG1 3.42Å | ||
| 1432 | N | 33.6 | Very low | 38.8 | Very low | 153.8 Ų | 153.8 | 120 Ų | 120 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | trans | -55.9 | 84.7 | 161 | -79.8 | -21.8 | 0 | 0 | 0 | 113.2 | T1428 L1430 | T1428-N1432 PolarHBondContact O-ND2 3.31Å; T1428-N1432 VanDerWaalsContact O-ND2 3.08Å; T1428-N1432 PolarHBondContact O-OD1 3.13Å; L1430-N1432 VanDerWaalsContact C-N 3.34Å | ||
| 1433 | K | 42.2 | Very low | 39 | Very low | 185.6 Ų | 185.6 | 116.6 Ų | 116.6 | 81% | 0.807 | 62% | 0.62 | S | S | * | * | trans | -149.8 | 117.4 | 149.5 | -100.8 | 165.4 | -176 | 177.6 | 0 | 112.1 | L1431 G1435 | L1431-K1433 PolarHBondContact O-N 3.25Å; L1431-K1433 VanDerWaalsContact O-N 3.12Å; K1433-G1435 VanDerWaalsContact C-N 3.28Å; K1433-G1435 PolarHBondContact O-N 3.37Å | ||
| 1434 | T | 37.7 | Very low | 39.2 | Very low | 121.8 Ų | 121.8 | 113.3 Ų | 113.3 | 75% | 0.747 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 24.4 | -167.6 | 43.9 | 0 | 0 | 0 | 0 | 114.5 | L1431 V1436 T1437 | L1431-T1434 PolarHBondContact O-N 3.21Å; L1431-T1434 PolarHBondContact O-OG1 3.42Å; T1434-V1436 PolarHBondContact O-N 2.94Å; T1434-T1437 PolarHBondContact O-OG1 3.11Å |
| 1435 | G | 38.4 | Very low | 39.7 | Very low | 70.6 Ų | 70.6 | 111.1 Ų | 111.1 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -11.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | K1433 T1437 | K1433-G1435 VanDerWaalsContact C-N 3.28Å; K1433-G1435 PolarHBondContact O-N 3.37Å; G1435-T1437 VanDerWaalsContact C-N 3.3Å; G1435-T1437 PolarHBondContact O-N 2.99Å; G1435-T1437 VanDerWaalsContact O-N 3.15Å |
| 1436 | V | 41.5 | Very low | 40 | Very low | 80.8 Ų | 80.8 | 110.3 Ų | 110.3 | 49% | 0.49 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.2 | 32.3 | -176.2 | -164.6 | 0 | 0 | 0 | 0 | 111.9 | T1434 N1438 E1439 I1440 | T1434-V1436 PolarHBondContact O-N 2.94Å; V1436-N1438 VanDerWaalsContact C-N 3.3Å; V1436-N1438 PolarHBondContact O-N 2.93Å; V1436-N1438 VanDerWaalsContact O-N 3.14Å; V1436-E1439 HydrophobicContact CG1-CB 4.26Å; V1436-E1439 HydrophobicContact CG1-CG 4.14Å; V1436-E1439 WeakPolarHBondContact CG1-OE2 3.48Å; V1436-E1439 PolarHBondContact O-N 3.28Å; V1436-I1440 HydrophobicContact CB-CD1 4Å; V1436-I1440 HydrophobicContact CB-CG1 4.49Å; V1436-I1440 HydrophobicContact CG1-CD1 3.94Å; V1436-I1440 HydrophobicContact CG1-CG1 4.13Å; V1436-I1440 WeakPolarHBondContact O-CB 3.48Å; V1436-I1440 WeakPolarHBondContact O-CD1 3.32Å; V1436-I1440 VanDerWaalsContact O-CG1 3.23Å; V1436-I1440 WeakPolarHBondContact O-CG1 3.34Å; V1436-I1440 PolarHBondContact O-N 3.24Å |
| 1437 | T | 41.2 | Very low | 40.2 | Very low | 76.6 Ų | 76.6 | 108.9 Ų | 108.9 | 47% | 0.47 | 59% | 0.592 | S | S | . | * | trans | -87.8 | -15.1 | -171.6 | 60.9 | 0 | 0 | 0 | 0 | 114.7 | T1434 G1435 R1441 | T1434-T1437 PolarHBondContact O-OG1 3.11Å; G1435-T1437 VanDerWaalsContact C-N 3.3Å; G1435-T1437 PolarHBondContact O-N 2.99Å; G1435-T1437 VanDerWaalsContact O-N 3.15Å; T1437-R1441 WeakPolarHBondContact O-CB 3.47Å; T1437-R1441 WeakPolarHBondContact O-CD 3.44Å; T1437-R1441 WeakPolarHBondContact O-CG 3.28Å; T1437-R1441 PolarHBondContact O-N 3.1Å; T1437-R1441 PolarHBondContact O-NH1 3.12Å; T1437-R1441 PolarHBondContact OG1-NH1 3.22Å | ||
| 1438 | N | 42.8 | Very low | 40.5 | Very low | 113.4 Ų | 113.4 | 107 Ų | 107 | 61% | 0.606 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -89.2 | -38.2 | -178.2 | -70.5 | -8.9 | 0 | 0 | 0 | 112.6 | V1436 I1440 R1441 T1442 | V1436-N1438 VanDerWaalsContact C-N 3.3Å; V1436-N1438 PolarHBondContact O-N 2.93Å; V1436-N1438 VanDerWaalsContact O-N 3.14Å; N1438-I1440 VanDerWaalsContact C-N 3.29Å; N1438-I1440 PolarHBondContact O-N 3.19Å; N1438-R1441 CarbonylContact O-C 3.59Å; N1438-R1441 WeakPolarHBondContact O-CA 3.44Å; N1438-R1441 VanDerWaalsContact O-CB 3.29Å; N1438-R1441 WeakPolarHBondContact O-CB 3.36Å; N1438-R1441 PolarHBondContact O-N 3.2Å; N1438-R1441 PolarHBondContact OD1-NH1 3.2Å; N1438-R1441 VanDerWaalsContact OD1-NH1 3.08Å; N1438-T1442 PolarHBondContact O-N 3.22Å; N1438-T1442 PolarHBondContact O-OG1 3.22Å |
| 1439 | E | 41.9 | Very low | 40.9 | Very low | 136 Ų | 136 | 106.1 Ų | 106.1 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.6 | -30 | 174.9 | -63.3 | 177.5 | 156.3 | 0 | 0 | 112.4 | V1436 R1441 T1442 S1443 | V1436-E1439 HydrophobicContact CG1-CB 4.26Å; V1436-E1439 HydrophobicContact CG1-CG 4.14Å; V1436-E1439 WeakPolarHBondContact CG1-OE2 3.48Å; V1436-E1439 PolarHBondContact O-N 3.28Å; E1439-R1441 VanDerWaalsContact C-N 3.28Å; E1439-R1441 PolarHBondContact O-N 3.13Å; E1439-T1442 WeakPolarHBondContact CA-OG1 3.45Å; E1439-T1442 PolarHBondContact O-N 3.45Å; E1439-T1442 PolarHBondContact O-OG1 3.27Å; E1439-T1442 VanDerWaalsContact O-OG1 3.14Å; E1439-S1443 VanDerWaalsContact O-CB 3.28Å; E1439-S1443 WeakPolarHBondContact O-CB 3.37Å; E1439-S1443 PolarHBondContact O-N 3.22Å; E1439-S1443 VanDerWaalsContact O-N 3.07Å; E1439-S1443 PolarHBondContact O-OG 3.15Å; E1439-S1443 VanDerWaalsContact O-OG 3.07Å |
| 1440 | I | 42.2 | Very low | 41.1 | Very low | 80.6 Ų | 80.6 | 102.1 Ų | 102.1 | 41% | 0.413 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.3 | -18.7 | 173 | -65 | 169.2 | 0 | 0 | 0 | 111.6 | V1436 N1438 S1443 K1444 | V1436-I1440 HydrophobicContact CB-CD1 4Å; V1436-I1440 HydrophobicContact CB-CG1 4.49Å; V1436-I1440 HydrophobicContact CG1-CD1 3.94Å; V1436-I1440 HydrophobicContact CG1-CG1 4.13Å; V1436-I1440 WeakPolarHBondContact O-CB 3.48Å; V1436-I1440 WeakPolarHBondContact O-CD1 3.32Å; V1436-I1440 VanDerWaalsContact O-CG1 3.23Å; V1436-I1440 WeakPolarHBondContact O-CG1 3.34Å; V1436-I1440 PolarHBondContact O-N 3.24Å; N1438-I1440 VanDerWaalsContact C-N 3.29Å; N1438-I1440 PolarHBondContact O-N 3.19Å; I1440-S1443 PolarHBondContact O-OG 3.22Å; I1440-K1444 HydrophobicContact CG2-CD 4.29Å; I1440-K1444 WeakPolarHBondContact O-CB 3.36Å; I1440-K1444 VanDerWaalsContact O-CD 3.28Å; I1440-K1444 WeakPolarHBondContact O-CD 3.34Å; I1440-K1444 VanDerWaalsContact O-CG 3.27Å; I1440-K1444 WeakPolarHBondContact O-CG 3.39Å; I1440-K1444 PolarHBondContact O-N 3.08Å |
| 1441 | R | 39.6 | Very low | 41.3 | Very low | 132.4 Ų | 132.4 | 98.8 Ų | 98.8 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -84.6 | -45.5 | 175.7 | -91.9 | 178.7 | 179.4 | 102.8 | -1.8 | 112.1 | G1216 T1437 N1438 E1439 S1443 K1444 Q1445 | G1216-R1441 PolarHBondContact O-NH2 2.98Å; T1437-R1441 WeakPolarHBondContact O-CB 3.47Å; T1437-R1441 WeakPolarHBondContact O-CD 3.44Å; T1437-R1441 WeakPolarHBondContact O-CG 3.28Å; T1437-R1441 PolarHBondContact O-N 3.1Å; T1437-R1441 PolarHBondContact O-NH1 3.12Å; T1437-R1441 PolarHBondContact OG1-NH1 3.22Å; N1438-R1441 CarbonylContact O-C 3.59Å; N1438-R1441 WeakPolarHBondContact O-CA 3.44Å; N1438-R1441 VanDerWaalsContact O-CB 3.29Å; N1438-R1441 WeakPolarHBondContact O-CB 3.36Å; N1438-R1441 PolarHBondContact O-N 3.2Å; N1438-R1441 PolarHBondContact OD1-NH1 3.2Å; N1438-R1441 VanDerWaalsContact OD1-NH1 3.08Å; E1439-R1441 VanDerWaalsContact C-N 3.28Å; E1439-R1441 PolarHBondContact O-N 3.13Å; R1441-S1443 PolarHBondContact O-N 3.3Å; R1441-K1444 PolarHBondContact O-N 3.06Å; R1441-K1444 VanDerWaalsContact O-N 3.08Å; R1441-Q1445 WeakPolarHBondContact O-CB 3.38Å; R1441-Q1445 PolarHBondContact O-N 3.23Å; R1441-Q1445 VanDerWaalsContact O-N 3.08Å |
| 1442 | T | 40.5 | Very low | 41.8 | Very low | 84.6 Ų | 84.6 | 95.4 Ų | 95.4 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 177.8 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | N1438 E1439 K1444 Q1445 E1446 | N1438-T1442 PolarHBondContact O-N 3.22Å; N1438-T1442 PolarHBondContact O-OG1 3.22Å; E1439-T1442 WeakPolarHBondContact CA-OG1 3.45Å; E1439-T1442 PolarHBondContact O-N 3.45Å; E1439-T1442 PolarHBondContact O-OG1 3.27Å; E1439-T1442 VanDerWaalsContact O-OG1 3.14Å; T1442-K1444 VanDerWaalsContact C-N 3.32Å; T1442-K1444 PolarHBondContact O-N 3.17Å; T1442-K1444 VanDerWaalsContact O-N 3.13Å; T1442-Q1445 CarbonylContact O-C 3.53Å; T1442-Q1445 WeakPolarHBondContact O-CA 3.34Å; T1442-Q1445 VanDerWaalsContact O-CB 3.29Å; T1442-Q1445 WeakPolarHBondContact O-CB 3.37Å; T1442-Q1445 PolarHBondContact O-N 3.04Å; T1442-Q1445 VanDerWaalsContact O-N 3.08Å; T1442-E1446 PolarHBondContact O-N 3.22Å |
| 1443 | S | 44.4 | Very low | 42.3 | Very low | 56.6 Ų | 56.6 | 91.8 Ų | 91.8 | 40% | 0.396 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -26.4 | 177.1 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | E1439 I1440 R1441 Q1445 A1447 | E1439-S1443 VanDerWaalsContact O-CB 3.28Å; E1439-S1443 WeakPolarHBondContact O-CB 3.37Å; E1439-S1443 PolarHBondContact O-N 3.22Å; E1439-S1443 VanDerWaalsContact O-N 3.07Å; E1439-S1443 PolarHBondContact O-OG 3.15Å; E1439-S1443 VanDerWaalsContact O-OG 3.07Å; I1440-S1443 PolarHBondContact O-OG 3.22Å; R1441-S1443 PolarHBondContact O-N 3.3Å; S1443-Q1445 VanDerWaalsContact C-N 3.3Å; S1443-Q1445 PolarHBondContact O-N 2.98Å; S1443-A1447 WeakPolarHBondContact O-CB 3.4Å; S1443-A1447 PolarHBondContact O-N 3.28Å |
| 1444 | K | 42.1 | Very low | 42.2 | Very low | 122.6 Ų | 122.6 | 85.6 Ų | 85.6 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.8 | -32 | 170.1 | -76.4 | 178 | -177 | -179.9 | 0 | 112.7 | I1440 R1441 T1442 A1448 | I1440-K1444 HydrophobicContact CG2-CD 4.29Å; I1440-K1444 WeakPolarHBondContact O-CB 3.36Å; I1440-K1444 VanDerWaalsContact O-CD 3.28Å; I1440-K1444 WeakPolarHBondContact O-CD 3.34Å; I1440-K1444 VanDerWaalsContact O-CG 3.27Å; I1440-K1444 WeakPolarHBondContact O-CG 3.39Å; I1440-K1444 PolarHBondContact O-N 3.08Å; R1441-K1444 PolarHBondContact O-N 3.06Å; R1441-K1444 VanDerWaalsContact O-N 3.08Å; T1442-K1444 VanDerWaalsContact C-N 3.32Å; T1442-K1444 PolarHBondContact O-N 3.17Å; T1442-K1444 VanDerWaalsContact O-N 3.13Å; K1444-A1448 VanDerWaalsContact O-CB 3.3Å; K1444-A1448 WeakPolarHBondContact O-CB 3.25Å; K1444-A1448 PolarHBondContact O-N 2.94Å; K1444-A1448 VanDerWaalsContact O-N 3.1Å |
| 1445 | Q | 45.5 | Very low | 42.4 | Very low | 85 Ų | 85 | 82.7 Ų | 82.7 | 40% | 0.397 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.7 | -46.6 | 176.8 | -174 | 153 | -19.4 | 0 | 0 | 111.1 | R1441 T1442 S1443 A1447 A1448 E1449 N1559 | R1441-Q1445 WeakPolarHBondContact O-CB 3.38Å; R1441-Q1445 PolarHBondContact O-N 3.23Å; R1441-Q1445 VanDerWaalsContact O-N 3.08Å; T1442-Q1445 CarbonylContact O-C 3.53Å; T1442-Q1445 WeakPolarHBondContact O-CA 3.34Å; T1442-Q1445 VanDerWaalsContact O-CB 3.29Å; T1442-Q1445 WeakPolarHBondContact O-CB 3.37Å; T1442-Q1445 PolarHBondContact O-N 3.04Å; T1442-Q1445 VanDerWaalsContact O-N 3.08Å; S1443-Q1445 VanDerWaalsContact C-N 3.3Å; S1443-Q1445 PolarHBondContact O-N 2.98Å; Q1445-A1447 VanDerWaalsContact C-N 3.3Å; Q1445-A1447 PolarHBondContact O-N 3.23Å; Q1445-A1448 CarbonylContact O-C 3.57Å; Q1445-A1448 WeakPolarHBondContact O-CB 3.47Å; Q1445-A1448 PolarHBondContact O-N 3.11Å; Q1445-A1448 VanDerWaalsContact O-N 3.13Å; Q1445-E1449 HydrophobicContact CG-CG 4.35Å; Q1445-E1449 VanDerWaalsContact CG-OE1 3.24Å; Q1445-E1449 WeakPolarHBondContact CG-OE1 3.2Å; Q1445-E1449 PolarHBondContact NE2-OE1 3.31Å; Q1445-E1449 VanDerWaalsContact O-CB 3.31Å; Q1445-E1449 WeakPolarHBondContact O-CB 3.33Å; Q1445-E1449 WeakPolarHBondContact O-CG 3.34Å; Q1445-E1449 PolarHBondContact O-N 3.08Å; Q1445-N1559 VanDerWaalsContact CD-ND2 3.35Å; Q1445-N1559 WeakPolarHBondContact CG-ND2 3.42Å; Q1445-N1559 PolarHBondContact NE2-ND2 3.11Å |
| 1446 | E | 44.7 | Very low | 42.5 | Very low | 133.8 Ų | 133.8 | 82.5 Ų | 82.5 | 63% | 0.625 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.5 | -40.1 | 172.4 | -69.9 | 178.7 | 148.2 | 0 | 0 | 111.5 | T1442 A1448 E1449 A1450 | T1442-E1446 PolarHBondContact O-N 3.22Å; E1446-A1448 VanDerWaalsContact C-N 3.33Å; E1446-A1448 PolarHBondContact O-N 3.08Å; E1446-E1449 PolarHBondContact O-N 3.06Å; E1446-A1450 WeakPolarHBondContact O-CA 3.36Å; E1446-A1450 VanDerWaalsContact O-CB 3.29Å; E1446-A1450 WeakPolarHBondContact O-CB 3.44Å; E1446-A1450 PolarHBondContact O-N 3.26Å |
| 1447 | A | 40.8 | Very low | 42.3 | Very low | 48.6 Ų | 48.6 | 81.5 Ų | 81.5 | 40% | 0.402 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1443 Q1445 V1451 | S1443-A1447 WeakPolarHBondContact O-CB 3.4Å; S1443-A1447 PolarHBondContact O-N 3.28Å; Q1445-A1447 VanDerWaalsContact C-N 3.3Å; Q1445-A1447 PolarHBondContact O-N 3.23Å; A1447-V1451 WeakPolarHBondContact O-CA 3.21Å; A1447-V1451 VanDerWaalsContact O-CB 3.26Å; A1447-V1451 WeakPolarHBondContact O-CB 3.35Å; A1447-V1451 VanDerWaalsContact O-CG2 3.28Å; A1447-V1451 WeakPolarHBondContact O-CG2 3.38Å; A1447-V1451 PolarHBondContact O-N 2.92Å; A1447-V1451 VanDerWaalsContact O-N 3.08Å |
| 1448 | A | 42.7 | Very low | 42 | Very low | 43 Ų | 43 | 82.6 Ų | 82.6 | 36% | 0.355 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73.1 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1444 Q1445 E1446 V1451 L1452 | K1444-A1448 VanDerWaalsContact O-CB 3.3Å; K1444-A1448 WeakPolarHBondContact O-CB 3.25Å; K1444-A1448 PolarHBondContact O-N 2.94Å; K1444-A1448 VanDerWaalsContact O-N 3.1Å; Q1445-A1448 CarbonylContact O-C 3.57Å; Q1445-A1448 WeakPolarHBondContact O-CB 3.47Å; Q1445-A1448 PolarHBondContact O-N 3.11Å; Q1445-A1448 VanDerWaalsContact O-N 3.13Å; E1446-A1448 VanDerWaalsContact C-N 3.33Å; E1446-A1448 PolarHBondContact O-N 3.08Å; A1448-V1451 PolarHBondContact O-N 2.99Å; A1448-L1452 WeakPolarHBondContact O-CB 3.43Å; A1448-L1452 WeakPolarHBondContact O-CG 3.42Å; A1448-L1452 PolarHBondContact O-N 3.18Å |
| 1449 | E | 44.1 | Very low | 41.3 | Very low | 79.2 Ų | 79.2 | 82.6 Ų | 82.6 | 37% | 0.37 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.5 | -38.3 | 175.4 | -71.9 | -179 | -179.4 | 0 | 0 | 111.4 | Q1445 E1446 V1451 L1452 N1453 N1559 | Q1445-E1449 HydrophobicContact CG-CG 4.35Å; Q1445-E1449 VanDerWaalsContact CG-OE1 3.24Å; Q1445-E1449 WeakPolarHBondContact CG-OE1 3.2Å; Q1445-E1449 PolarHBondContact NE2-OE1 3.31Å; Q1445-E1449 VanDerWaalsContact O-CB 3.31Å; Q1445-E1449 WeakPolarHBondContact O-CB 3.33Å; Q1445-E1449 WeakPolarHBondContact O-CG 3.34Å; Q1445-E1449 PolarHBondContact O-N 3.08Å; E1446-E1449 PolarHBondContact O-N 3.06Å; E1449-V1451 VanDerWaalsContact C-N 3.31Å; E1449-V1451 PolarHBondContact O-N 3.25Å; E1449-L1452 PolarHBondContact O-N 2.95Å; E1449-N1453 WeakPolarHBondContact O-CA 3.34Å; E1449-N1453 WeakPolarHBondContact O-CB 3.38Å; E1449-N1453 VanDerWaalsContact O-CG 3.31Å; E1449-N1453 PolarHBondContact O-N 3.16Å; E1449-N1453 PolarHBondContact O-ND2 3.01Å; E1449-N1453 VanDerWaalsContact O-ND2 3.11Å; E1449-N1559 PolarHBondContact OE1-ND2 3.34Å |
| 1450 | A | 43.1 | Very low | 40.8 | Very low | 58.2 Ų | 58.2 | 81.6 Ų | 81.6 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.7 | -33 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1446 S1454 | E1446-A1450 WeakPolarHBondContact O-CA 3.36Å; E1446-A1450 VanDerWaalsContact O-CB 3.29Å; E1446-A1450 WeakPolarHBondContact O-CB 3.44Å; E1446-A1450 PolarHBondContact O-N 3.26Å; A1450-S1454 WeakPolarHBondContact O-CA 3.29Å; A1450-S1454 WeakPolarHBondContact O-CB 3.35Å; A1450-S1454 PolarHBondContact O-N 3.05Å; A1450-S1454 PolarHBondContact O-OG 3.14Å |
| 1451 | V | 42.9 | Very low | 40.3 | Very low | 74 Ų | 74 | 84.1 Ų | 84.1 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.4 | -41.9 | 173.2 | 166.9 | 0 | 0 | 0 | 0 | 111.5 | A1447 A1448 E1449 N1453 S1454 V1455 | A1447-V1451 WeakPolarHBondContact O-CA 3.21Å; A1447-V1451 VanDerWaalsContact O-CB 3.26Å; A1447-V1451 WeakPolarHBondContact O-CB 3.35Å; A1447-V1451 VanDerWaalsContact O-CG2 3.28Å; A1447-V1451 WeakPolarHBondContact O-CG2 3.38Å; A1447-V1451 PolarHBondContact O-N 2.92Å; A1447-V1451 VanDerWaalsContact O-N 3.08Å; A1448-V1451 PolarHBondContact O-N 2.99Å; E1449-V1451 VanDerWaalsContact C-N 3.31Å; E1449-V1451 PolarHBondContact O-N 3.25Å; V1451-N1453 PolarHBondContact O-N 3.17Å; V1451-S1454 VanDerWaalsContact CA-OG 3.26Å; V1451-S1454 WeakPolarHBondContact CA-OG 3.32Å; V1451-S1454 CarbonylContact O-C 3.53Å; V1451-S1454 PolarHBondContact O-N 3.01Å; V1451-S1454 PolarHBondContact O-OG 3.09Å; V1451-V1455 HydrophobicContact CG1-CG2 4.01Å; V1451-V1455 VanDerWaalsContact O-CB 3.25Å; V1451-V1455 WeakPolarHBondContact O-CB 3.29Å; V1451-V1455 WeakPolarHBondContact O-CG2 3.32Å; V1451-V1455 PolarHBondContact O-N 3.13Å |
| 1452 | L | 45.5 | Very low | 39.8 | Very low | 66.8 Ų | 66.8 | 85.6 Ų | 85.6 | 35% | 0.35 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 174.6 | -89.5 | 166.2 | 0 | 0 | 0 | 111.8 | A1448 E1449 S1454 V1455 L1456 L1496 | A1448-L1452 WeakPolarHBondContact O-CB 3.43Å; A1448-L1452 WeakPolarHBondContact O-CG 3.42Å; A1448-L1452 PolarHBondContact O-N 3.18Å; E1449-L1452 PolarHBondContact O-N 2.95Å; L1452-S1454 VanDerWaalsContact C-N 3.33Å; L1452-S1454 PolarHBondContact O-N 3.41Å; L1452-V1455 PolarHBondContact O-N 3.04Å; L1452-V1455 VanDerWaalsContact O-N 3.13Å; L1452-L1456 HydrophobicContact CD2-CD1 4.4Å; L1452-L1456 VanDerWaalsContact O-CB 3.28Å; L1452-L1456 WeakPolarHBondContact O-CB 3.35Å; L1452-L1456 WeakPolarHBondContact O-CD1 3.45Å; L1452-L1456 VanDerWaalsContact O-CG 3.31Å; L1452-L1456 WeakPolarHBondContact O-CG 3.33Å; L1452-L1456 PolarHBondContact O-N 3.11Å; L1452-L1456 VanDerWaalsContact O-N 3.14Å; L1452-L1496 HydrophobicContact CD1-CD2 3.98Å; L1452-L1496 HydrophobicContact CD2-CD2 3.88Å; L1452-L1496 HydrophobicContact CG-CD2 4.29Å |
| 1453 | N | 43.8 | Very low | 39.4 | Very low | 78.2 Ų | 78.2 | 88.9 Ų | 88.9 | 42% | 0.418 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 172 | -71.4 | -27.3 | 0 | 0 | 0 | 110.2 | E1449 V1451 V1455 L1456 S1457 F1597 | E1449-N1453 WeakPolarHBondContact O-CA 3.34Å; E1449-N1453 WeakPolarHBondContact O-CB 3.38Å; E1449-N1453 VanDerWaalsContact O-CG 3.31Å; E1449-N1453 PolarHBondContact O-N 3.16Å; E1449-N1453 PolarHBondContact O-ND2 3.01Å; E1449-N1453 VanDerWaalsContact O-ND2 3.11Å; V1451-N1453 PolarHBondContact O-N 3.17Å; N1453-V1455 VanDerWaalsContact C-N 3.29Å; N1453-V1455 PolarHBondContact O-N 3.13Å; N1453-V1455 VanDerWaalsContact O-N 3.08Å; N1453-L1456 CarbonylContact O-C 3.51Å; N1453-L1456 PolarHBondContact O-N 3.07Å; N1453-L1456 VanDerWaalsContact O-N 3.09Å; N1453-S1457 VanDerWaalsContact C-CB 3.42Å; N1453-S1457 WeakPolarHBondContact O-CA 3.28Å; N1453-S1457 WeakPolarHBondContact O-CB 3.36Å; N1453-S1457 PolarHBondContact O-N 3.05Å; N1453-S1457 PolarHBondContact O-OG 3.16Å; N1453-F1597 PolarHBondContact ND2-O 3.29Å |
| 1454 | S | 40 | Very low | 38.8 | Very low | 54 Ų | 54 | 94.1 Ų | 94.1 | 38% | 0.378 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -31.9 | 177.6 | 74.3 | 0 | 0 | 0 | 0 | 114 | A1450 V1451 L1452 L1456 S1457 M1458 | A1450-S1454 WeakPolarHBondContact O-CA 3.29Å; A1450-S1454 WeakPolarHBondContact O-CB 3.35Å; A1450-S1454 PolarHBondContact O-N 3.05Å; A1450-S1454 PolarHBondContact O-OG 3.14Å; V1451-S1454 VanDerWaalsContact CA-OG 3.26Å; V1451-S1454 WeakPolarHBondContact CA-OG 3.32Å; V1451-S1454 CarbonylContact O-C 3.53Å; V1451-S1454 PolarHBondContact O-N 3.01Å; V1451-S1454 PolarHBondContact O-OG 3.09Å; L1452-S1454 VanDerWaalsContact C-N 3.33Å; L1452-S1454 PolarHBondContact O-N 3.41Å; S1454-L1456 VanDerWaalsContact C-N 3.34Å; S1454-L1456 PolarHBondContact O-N 3.37Å; S1454-L1456 VanDerWaalsContact O-N 3.17Å; S1454-S1457 VanDerWaalsContact C-CA 3.45Å; S1454-S1457 CarbonylContact O-C 3.51Å; S1454-S1457 WeakPolarHBondContact O-CA 3.4Å; S1454-S1457 PolarHBondContact O-N 3.22Å; S1454-M1458 WeakPolarHBondContact O-CA 3.44Å; S1454-M1458 WeakPolarHBondContact O-CB 3.39Å; S1454-M1458 WeakPolarHBondContact O-CG 3.39Å; S1454-M1458 PolarHBondContact O-N 3.32Å |
| 1455 | V | 42.4 | Very low | 38.4 | Very low | 61 Ų | 61 | 96.2 Ų | 96.2 | 37% | 0.37 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.4 | -31.7 | 175.6 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | V1451 L1452 N1453 S1457 M1458 H1477 I1598 | V1451-V1455 HydrophobicContact CG1-CG2 4.01Å; V1451-V1455 VanDerWaalsContact O-CB 3.25Å; V1451-V1455 WeakPolarHBondContact O-CB 3.29Å; V1451-V1455 WeakPolarHBondContact O-CG2 3.32Å; V1451-V1455 PolarHBondContact O-N 3.13Å; L1452-V1455 PolarHBondContact O-N 3.04Å; L1452-V1455 VanDerWaalsContact O-N 3.13Å; N1453-V1455 VanDerWaalsContact C-N 3.29Å; N1453-V1455 PolarHBondContact O-N 3.13Å; N1453-V1455 VanDerWaalsContact O-N 3.08Å; V1455-S1457 VanDerWaalsContact C-N 3.26Å; V1455-S1457 PolarHBondContact O-N 3.23Å; V1455-M1458 HydrophobicContact CG1-CE 4.29Å; V1455-M1458 PolarHBondContact O-N 3.34Å; V1455-H1477 PolarHBondContact O-CE1 3.21Å; V1455-H1477 PolarHBondContact O-NE2 3.45Å; V1455-H1477 VanDerWaalsContact O-NE2 3.16Å; V1455-I1598 HydrophobicContact CG1-CD1 3.69Å; V1455-I1598 HydrophobicContact CG1-CG1 3.96Å; V1455-I1598 HydrophobicContact CG1-CG2 4.17Å; V1455-I1598 HydrophobicContact CG2-CD1 3.96Å |
| 1456 | L | 40.3 | Very low | 37.8 | Very low | 67.2 Ų | 67.2 | 99.4 Ų | 99.4 | 35% | 0.352 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -79.8 | -28.5 | 169 | -66.6 | 167.4 | 0 | 0 | 0 | 111.8 | L1343 L1452 N1453 S1454 M1458 R1459 W1476 H1477 Y1594 P1596 | L1343-L1456 HydrophobicContact CD1-CD2 4.07Å; L1452-L1456 HydrophobicContact CD2-CD1 4.4Å; L1452-L1456 VanDerWaalsContact O-CB 3.28Å; L1452-L1456 WeakPolarHBondContact O-CB 3.35Å; L1452-L1456 WeakPolarHBondContact O-CD1 3.45Å; L1452-L1456 VanDerWaalsContact O-CG 3.31Å; L1452-L1456 WeakPolarHBondContact O-CG 3.33Å; L1452-L1456 PolarHBondContact O-N 3.11Å; L1452-L1456 VanDerWaalsContact O-N 3.14Å; N1453-L1456 CarbonylContact O-C 3.51Å; N1453-L1456 PolarHBondContact O-N 3.07Å; N1453-L1456 VanDerWaalsContact O-N 3.09Å; S1454-L1456 VanDerWaalsContact C-N 3.34Å; S1454-L1456 PolarHBondContact O-N 3.37Å; S1454-L1456 VanDerWaalsContact O-N 3.17Å; L1456-M1458 VanDerWaalsContact C-N 3.33Å; L1456-M1458 PolarHBondContact O-N 3.13Å; L1456-M1458 VanDerWaalsContact O-N 3.15Å; L1456-R1459 VanDerWaalsContact O-CB 3.31Å; L1456-R1459 WeakPolarHBondContact O-CB 3.36Å; L1456-R1459 PolarHBondContact O-N 2.9Å; L1456-W1476 HydrophobicContact CD2-CZ3 4.27Å; L1456-W1476 VanDerWaalsContact O-CB 3.24Å; L1456-W1476 WeakPolarHBondContact O-CB 3.5Å; L1456-H1477 VanDerWaalsContact C-NE2 3.31Å; L1456-H1477 WeakPolarHBondContact CA-NE2 3.41Å; L1456-H1477 PolarHBondContact O-CD2 2.94Å; L1456-H1477 PolarHBondContact O-NE2 3.28Å; L1456-Y1594 HydrophobicContact CD1-CD1 4.26Å; L1456-Y1594 HydrophobicContact CD1-CE1 3.72Å; L1456-P1596 HydrophobicContact CD1-CB 4.3Å |
| 1457 | S | 37 | Very low | 37.1 | Very low | 58.8 Ų | 58.8 | 99.7 Ų | 99.7 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.9 | -18.2 | 171.8 | -36.2 | 0 | 0 | 0 | 0 | 118.3 | N1453 S1454 V1455 R1459 L1460 H1477 | N1453-S1457 VanDerWaalsContact C-CB 3.42Å; N1453-S1457 WeakPolarHBondContact O-CA 3.28Å; N1453-S1457 WeakPolarHBondContact O-CB 3.36Å; N1453-S1457 PolarHBondContact O-N 3.05Å; N1453-S1457 PolarHBondContact O-OG 3.16Å; S1454-S1457 VanDerWaalsContact C-CA 3.45Å; S1454-S1457 CarbonylContact O-C 3.51Å; S1454-S1457 WeakPolarHBondContact O-CA 3.4Å; S1454-S1457 PolarHBondContact O-N 3.22Å; V1455-S1457 VanDerWaalsContact C-N 3.26Å; V1455-S1457 PolarHBondContact O-N 3.23Å; S1457-R1459 PolarHBondContact O-N 3.22Å; S1457-L1460 WeakPolarHBondContact O-CB 3.38Å; S1457-L1460 PolarHBondContact O-N 3.17Å; S1457-H1477 VanDerWaalsContact C-CG 3.45Å; S1457-H1477 WeakPolarHBondContact CA-CD2 3.33Å; S1457-H1477 WeakPolarHBondContact CA-CE1 3.41Å; S1457-H1477 WeakPolarHBondContact CA-NE2 3.31Å; S1457-H1477 VanDerWaalsContact CB-CD2 3.48Å; S1457-H1477 WeakPolarHBondContact CB-CD2 3.46Å; S1457-H1477 WeakPolarHBondContact CB-CE1 3.42Å; S1457-H1477 WeakPolarHBondContact CB-ND1 3.48Å; S1457-H1477 WeakPolarHBondContact CB-NE2 3.35Å; S1457-H1477 PolarHBondContact N-CD2 3.36Å; S1457-H1477 PolarHBondContact N-NE2 3.12Å; S1457-H1477 VanDerWaalsContact N-NE2 3.19Å; S1457-H1477 WeakPolarHBondContact O-CB 3.39Å; S1457-H1477 PolarHBondContact O-CD2 3.46Å; S1457-H1477 PolarHBondContact O-ND1 3.5Å; S1457-H1477 PolarHBondContact O-NE2 3.43Å; S1457-H1477 PolarHBondContact OG-CE1 3.34Å; S1457-H1477 PolarHBondContact OG-ND1 2.87Å; S1457-H1477 PolarHBondContact OG-NE2 3.19Å |
| 1458 | M | 35.7 | Very low | 36.9 | Very low | 101 Ų | 101 | 100.6 Ų | 100.6 | 50% | 0.498 | 53% | 0.531 | S | S | . | . | trans | -77 | 61.2 | -172.5 | -83.5 | -131.2 | -69.6 | 0 | 0 | 112.7 | H1350 S1454 V1455 L1456 L1460 T1474 H1477 | H1350-M1458 PolarHBondContact CE1-O 3.39Å; S1454-M1458 WeakPolarHBondContact O-CA 3.44Å; S1454-M1458 WeakPolarHBondContact O-CB 3.39Å; S1454-M1458 WeakPolarHBondContact O-CG 3.39Å; S1454-M1458 PolarHBondContact O-N 3.32Å; V1455-M1458 HydrophobicContact CG1-CE 4.29Å; V1455-M1458 PolarHBondContact O-N 3.34Å; L1456-M1458 VanDerWaalsContact C-N 3.33Å; L1456-M1458 PolarHBondContact O-N 3.13Å; L1456-M1458 VanDerWaalsContact O-N 3.15Å; M1458-L1460 VanDerWaalsContact C-N 3.32Å; M1458-L1460 HydrophobicContact CE-CD1 3.98Å; M1458-L1460 HydrophobicContact CE-CG 4.27Å; M1458-L1460 PolarHBondContact O-N 2.82Å; M1458-L1460 HydrophobicContact SD-CD1 4.21Å; M1458-L1460 HydrophobicContact SD-CD2 4.36Å; M1458-L1460 HydrophobicContact SD-CG 4.23Å; M1458-T1474 CarbonylContact O-C 3.18Å; M1458-T1474 VanDerWaalsContact O-O 3.09Å; M1458-H1477 PolarHBondContact N-CD2 3.15Å; M1458-H1477 PolarHBondContact N-ND1 3.33Å; M1458-H1477 VanDerWaalsContact N-ND1 3.15Å; M1458-H1477 PolarHBondContact O-ND1 2.9Å | ||
| 1459 | R | 29.1 | Very low | 36.4 | Very low | 112 Ų | 112 | 104.5 Ų | 104.5 | 42% | 0.423 | 55% | 0.545 | S | S | . | . | trans | -86.1 | 82 | 166.4 | -164.7 | 157.9 | -164.3 | 160.5 | 2 | 110.9 | H1350 L1456 S1457 M1461 T1474 H1477 H1478 | H1350-R1459 PolarHBondContact CD2-NH1 2.95Å; L1456-R1459 VanDerWaalsContact O-CB 3.31Å; L1456-R1459 WeakPolarHBondContact O-CB 3.36Å; L1456-R1459 PolarHBondContact O-N 2.9Å; S1457-R1459 PolarHBondContact O-N 3.22Å; R1459-M1461 HydrophobicContact CG-CG 4Å; R1459-M1461 PolarHBondContact NE-SD 2.93Å; R1459-M1461 PolarHBondContact NH2-SD 3.13Å; R1459-M1461 PolarHBondContact O-N 3.31Å; R1459-T1474 WeakPolarHBondContact CA-O 3.49Å; R1459-H1477 HydrophobicContact CB-CB 3.55Å; R1459-H1477 HydrophobicContact CG-CB 4.06Å; R1459-H1477 PolarHBondContact NH1-O 3.05Å; R1459-H1477 VanDerWaalsContact NH1-O 3.09Å; R1459-H1478 WeakPolarHBondContact CD-CD2 3.38Å; R1459-H1478 WeakPolarHBondContact CD-NE2 3.47Å; R1459-H1478 VanDerWaalsContact CZ-NE2 3.29Å; R1459-H1478 PolarHBondContact NE-CD2 3.42Å; R1459-H1478 PolarHBondContact NE-NE2 3.37Å; R1459-H1478 PolarHBondContact NH1-CD2 2.87Å; R1459-H1478 PolarHBondContact NH1-CE1 3Å; R1459-H1478 VanDerWaalsContact NH1-CG 3.31Å; R1459-H1478 PolarHBondContact NH1-ND1 3.1Å; R1459-H1478 VanDerWaalsContact NH1-ND1 3.19Å; R1459-H1478 PolarHBondContact NH1-NE2 3.03Å; R1459-H1478 VanDerWaalsContact NH1-NE2 3.13Å; R1459-H1478 PolarHBondContact NH1-O 3.39Å; R1459-H1478 PolarHBondContact NH2-CD2 3.14Å; R1459-H1478 VanDerWaalsContact NH2-CD2 3.29Å; R1459-H1478 PolarHBondContact NH2-NE2 2.97Å; R1459-H1478 VanDerWaalsContact NH2-NE2 3.13Å | ||
| 1460 | L | 31.1 | Very low | 36.1 | Very low | 115.4 Ų | 115.4 | 105.6 Ų | 105.6 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | trans | -111.3 | 92.7 | 169 | -70.2 | 176.3 | 0 | 0 | 0 | 110.3 | S1457 M1458 T1474 | S1457-L1460 WeakPolarHBondContact O-CB 3.38Å; S1457-L1460 PolarHBondContact O-N 3.17Å; M1458-L1460 VanDerWaalsContact C-N 3.32Å; M1458-L1460 HydrophobicContact CE-CD1 3.98Å; M1458-L1460 HydrophobicContact CE-CG 4.27Å; M1458-L1460 PolarHBondContact O-N 2.82Å; M1458-L1460 HydrophobicContact SD-CD1 4.21Å; M1458-L1460 HydrophobicContact SD-CD2 4.36Å; M1458-L1460 HydrophobicContact SD-CG 4.23Å; L1460-T1474 PolarHBondContact N-O 3.45Å | ||
| 1461 | M | 30.4 | Very low | 35.7 | Very low | 133.8 Ų | 133.8 | 106.2 Ų | 106.2 | 66% | 0.659 | 55% | 0.548 | S | S | * | . | trans | -100.7 | 126.6 | 176.8 | -69.1 | -85.8 | -86 | 0 | 0 | 111 | S1115 R1459 | S1115-M1461 WeakPolarHBondContact OG-CE 3.39Å; R1459-M1461 HydrophobicContact CG-CG 4Å; R1459-M1461 PolarHBondContact NE-SD 2.93Å; R1459-M1461 PolarHBondContact NH2-SD 3.13Å; R1459-M1461 PolarHBondContact O-N 3.31Å | ||
| 1462 | Q | 30.2 | Very low | 35.4 | Very low | 162.8 Ų | 162.8 | 107.4 Ų | 107.4 | 76% | 0.761 | 55% | 0.545 | S | S | * | . | trans | -56.2 | 123.3 | 162.3 | -85.3 | 166.6 | -13.2 | 0 | 0 | 117.1 | ||||
| 1463 | D | 32.2 | Very low | 35.1 | Very low | 155.6 Ų | 155.6 | 106.5 Ų | 106.5 | 83% | 0.832 | 54% | 0.542 | S | S | * | . | trans | -148.1 | 129.7 | 145.2 | -88.5 | -26 | 0 | 0 | 0 | 115.7 | K1465 | D1463-K1465 PolarHBondContact O-N 3.47Š| ||
| 1464 | E | 31.6 | Very low | 34.7 | Very low | 165.2 Ų | 165.2 | 105.5 Ų | 105.5 | 77% | 0.772 | 54% | 0.539 | S | S | * | . | trans | -90.3 | 146.1 | -179.2 | -60.9 | -173.7 | 147.4 | 0 | 0 | 114.8 | N1466 | E1464-N1466 PolarHBondContact O-N 3.31Š| ||
| 1465 | K | 33 | Very low | 34.5 | Very low | 167 Ų | 167 | 107.1 Ų | 107.1 | 73% | 0.726 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 166.9 | 127.9 | 163.6 | -69.8 | 160 | -174.7 | 152.7 | 0 | 116.1 | D1463 H1467 | D1463-K1465 PolarHBondContact O-N 3.47Å; K1465-H1467 PolarHBondContact O-CD2 3.47Å |
| 1466 | N | 32.1 | Very low | 34.3 | Very low | 151 Ų | 151 | 109.1 Ų | 109.1 | 81% | 0.807 | 54% | 0.544 | S | S | * | . | trans | 75.6 | 44.8 | 168.4 | -61.4 | -11.4 | 0 | 0 | 0 | 118.3 | E1464 | E1464-N1466 PolarHBondContact O-N 3.31Š| ||
| 1467 | H | 31.3 | Very low | 34.2 | Very low | 140.6 Ų | 140.6 | 108.3 Ų | 108.3 | 65% | 0.651 | 54% | 0.539 | S | S | * | . | trans | -105.5 | 137.5 | 176.7 | -65.3 | -65.6 | 0 | 0 | 0 | 115 | K1465 L1469 D1471 Y1472 | K1465-H1467 PolarHBondContact O-CD2 3.47Å; H1467-L1469 PolarHBondContact O-N 3.45Å; H1467-L1469 VanDerWaalsContact O-N 3.15Å; H1467-D1471 HydrophobicContact CB-CB 4.49Å; H1467-D1471 WeakPolarHBondContact CB-OD2 3.26Å; H1467-D1471 IonicContact CG-OD2 3.61Å; H1467-Y1472 HydrophobicContact CB-CD2 4.34Å; H1467-Y1472 HydrophobicContact CB-CE2 3.74Å; H1467-Y1472 WeakPolarHBondContact O-CE2 3.4Å | ||
| 1468 | S | 35.3 | Very low | 34.1 | Very low | 68.2 Ų | 68.2 | 111.4 Ų | 111.4 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | trans | -86.6 | 156.9 | 174.3 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | L1470 D1471 Y1472 | S1468-L1470 PolarHBondContact O-N 3.18Å; S1468-L1470 PolarHBondContact OG-N 2.63Å; S1468-D1471 WeakPolarHBondContact CA-OD2 3.36Å; S1468-D1471 VanDerWaalsContact CB-OD2 3.29Å; S1468-D1471 WeakPolarHBondContact CB-OD2 3.36Å; S1468-D1471 PolarHBondContact N-OD2 3.22Å; S1468-D1471 WeakPolarHBondContact O-CB 3.28Å; S1468-D1471 PolarHBondContact O-N 2.96Å; S1468-D1471 VanDerWaalsContact O-N 3.15Å; S1468-D1471 PolarHBondContact OG-N 3.08Å; S1468-D1471 PolarHBondContact OG-OD2 2.89Å; S1468-Y1472 WeakPolarHBondContact O-CD2 3.36Å; S1468-Y1472 PolarHBondContact O-N 2.96Å | ||
| 1469 | L | 33.9 | Very low | 34.1 | Very low | 125 Ų | 125 | 112.2 Ų | 112.2 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -9.2 | -178.8 | -136.1 | 163.2 | 0 | 0 | 0 | 114.1 | H1467 D1471 Y1472 V1473 P1781 | H1467-L1469 PolarHBondContact O-N 3.45Å; H1467-L1469 VanDerWaalsContact O-N 3.15Å; L1469-D1471 VanDerWaalsContact C-N 3.32Å; L1469-D1471 PolarHBondContact O-N 3.36Å; L1469-Y1472 PolarHBondContact O-N 3.1Å; L1469-V1473 HydrophobicContact CD2-CG2 4.07Å; L1469-V1473 PolarHBondContact O-N 3.05Å; L1469-P1781 HydrophobicContact CD2-CB 4.45Å; L1469-P1781 HydrophobicContact CD2-CG 4.04Å; L1469-P1781 HydrophobicContact CG-CG 4.47Å |
| 1470 | L | 37.7 | Very low | 34.4 | Very low | 101.8 Ų | 101.8 | 110.5 Ų | 110.5 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | -26.1 | -179.9 | -116.6 | 69.8 | 0 | 0 | 0 | 114.1 | S1468 Y1472 V1473 T1474 T1599 T1601 I1634 | S1468-L1470 PolarHBondContact O-N 3.18Å; S1468-L1470 PolarHBondContact OG-N 2.63Å; L1470-Y1472 VanDerWaalsContact C-N 3.34Å; L1470-Y1472 PolarHBondContact O-N 3.06Å; L1470-V1473 PolarHBondContact O-N 2.92Å; L1470-V1473 VanDerWaalsContact O-N 3.1Å; L1470-T1474 HydrophobicContact CG-CG2 4.34Å; L1470-T1474 WeakPolarHBondContact O-CG2 3.18Å; L1470-T1474 PolarHBondContact O-N 3.37Å; L1470-T1474 PolarHBondContact O-OG1 3.44Å; L1470-T1599 HydrophobicContact CG-CG2 4.35Å; L1470-T1599 PolarHBondContact O-OG1 3.4Å; L1470-T1601 HydrophobicContact CB-CG2 4.22Å; L1470-I1634 HydrophobicContact CD1-CD1 4.3Å; L1470-I1634 HydrophobicContact CD2-CD1 3.57Å; L1470-I1634 HydrophobicContact CD2-CG1 4.41Å; L1470-I1634 HydrophobicContact CD2-CG2 4.35Å |
| 1471 | D | 33.8 | Very low | 34.8 | Very low | 70.8 Ų | 70.8 | 115.5 Ų | 115.5 | 38% | 0.379 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.7 | -13.2 | -179.6 | -60.4 | -46.5 | 0 | 0 | 0 | 112.6 | H1467 S1468 L1469 V1473 T1474 D1475 T1601 | H1467-D1471 HydrophobicContact CB-CB 4.49Å; H1467-D1471 WeakPolarHBondContact CB-OD2 3.26Å; H1467-D1471 IonicContact CG-OD2 3.61Å; S1468-D1471 WeakPolarHBondContact CA-OD2 3.36Å; S1468-D1471 VanDerWaalsContact CB-OD2 3.29Å; S1468-D1471 WeakPolarHBondContact CB-OD2 3.36Å; S1468-D1471 PolarHBondContact N-OD2 3.22Å; S1468-D1471 WeakPolarHBondContact O-CB 3.28Å; S1468-D1471 PolarHBondContact O-N 2.96Å; S1468-D1471 VanDerWaalsContact O-N 3.15Å; S1468-D1471 PolarHBondContact OG-N 3.08Å; S1468-D1471 PolarHBondContact OG-OD2 2.89Å; L1469-D1471 VanDerWaalsContact C-N 3.32Å; L1469-D1471 PolarHBondContact O-N 3.36Å; D1471-V1473 VanDerWaalsContact C-N 3.33Å; D1471-V1473 PolarHBondContact O-N 3.21Å; D1471-T1474 WeakPolarHBondContact CA-OG1 3.37Å; D1471-T1474 CarbonylContact O-C 3.22Å; D1471-T1474 WeakPolarHBondContact O-CA 3.44Å; D1471-T1474 PolarHBondContact O-N 3.08Å; D1471-T1474 PolarHBondContact O-OG1 3.2Å; D1471-D1475 WeakPolarHBondContact O-CB 3.43Å; D1471-D1475 PolarHBondContact O-N 2.79Å; D1471-T1601 WeakPolarHBondContact OD1-CG2 3.03Å; D1471-T1601 PolarHBondContact OD1-OG1 3.18Å |
| 1472 | Y | 37.2 | Very low | 35.6 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.3 | -13 | -170.3 | -95 | -90.7 | 0 | 0 | 0 | 115.3 | H1467 S1468 L1469 L1470 W1476 R1639 P1781 N1782 K1785 | H1467-Y1472 HydrophobicContact CB-CD2 4.34Å; H1467-Y1472 HydrophobicContact CB-CE2 3.74Å; H1467-Y1472 WeakPolarHBondContact O-CE2 3.4Å; S1468-Y1472 WeakPolarHBondContact O-CD2 3.36Å; S1468-Y1472 PolarHBondContact O-N 2.96Å; L1469-Y1472 PolarHBondContact O-N 3.1Å; L1470-Y1472 VanDerWaalsContact C-N 3.34Å; L1470-Y1472 PolarHBondContact O-N 3.06Å; Y1472-W1476 VanDerWaalsContact O-CD1 3.25Å; Y1472-R1639 PolarHBondContact O-NE 2.9Å; Y1472-R1639 VanDerWaalsContact O-NE 3.09Å; Y1472-R1639 PolarHBondContact O-NH2 2.92Å; Y1472-P1781 HydrophobicContact CD1-CB 4.19Å; Y1472-P1781 HydrophobicContact CE1-CB 4.46Å; Y1472-N1782 WeakPolarHBondContact CD1-OD1 3.2Å; Y1472-N1782 VanDerWaalsContact CE1-OD1 3.28Å; Y1472-N1782 WeakPolarHBondContact CE1-OD1 3.35Å; Y1472-N1782 PolarHBondContact OH-ND2 3.26Å; Y1472-N1782 PolarHBondContact OH-OD1 2.94Å; Y1472-K1785 HydrophobicContact CD1-CD 4Å; Y1472-K1785 VanDerWaalsContact CD1-CE 3.44Å; Y1472-K1785 HydrophobicContact CE1-CD 4.28Å; Y1472-K1785 WeakPolarHBondContact O-CE 3.39Å; Y1472-K1785 PolarHBondContact O-NZ 2.9Å |
| 1473 | V | 38.8 | Very low | 36.8 | Very low | 47.8 Ų | 47.8 | 105.2 Ų | 105.2 | 29% | 0.29 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -114.5 | 1.6 | -172.1 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | L1469 L1470 D1471 W1476 H1477 F1597 | L1469-V1473 HydrophobicContact CD2-CG2 4.07Å; L1469-V1473 PolarHBondContact O-N 3.05Å; L1470-V1473 PolarHBondContact O-N 2.92Å; L1470-V1473 VanDerWaalsContact O-N 3.1Å; D1471-V1473 VanDerWaalsContact C-N 3.33Å; D1471-V1473 PolarHBondContact O-N 3.21Å; V1473-W1476 HydrophobicContact CG1-CZ2 4.23Å; V1473-W1476 VanDerWaalsContact O-CD1 3.31Å; V1473-W1476 PolarHBondContact O-NE1 3.2Å; V1473-H1477 PolarHBondContact O-CD2 2.92Å; V1473-H1477 PolarHBondContact O-N 2.92Å; V1473-F1597 HydrophobicContact CB-CD1 4.17Å; V1473-F1597 HydrophobicContact CB-CE1 3.77Å; V1473-F1597 HydrophobicContact CB-CZ 4.14Å; V1473-F1597 HydrophobicContact CG1-CD1 3.76Å; V1473-F1597 HydrophobicContact CG1-CE1 3.52Å; V1473-F1597 HydrophobicContact CG1-CG 4.48Å; V1473-F1597 HydrophobicContact CG1-CZ 3.94Å; V1473-F1597 HydrophobicContact CG2-CD1 3.54Å; V1473-F1597 HydrophobicContact CG2-CE1 3.89Å; V1473-F1597 VanDerWaalsContact CG2-CE1 3.46Å; V1473-F1597 HydrophobicContact CG2-CZ 4.41Å |
| 1474 | T | 35.7 | Very low | 38.2 | Very low | 58.2 Ų | 58.2 | 98.8 Ų | 98.8 | 36% | 0.357 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -93.9 | -3.6 | 178.8 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | M1458 R1459 L1460 L1470 D1471 W1476 H1477 H1478 T1599 | M1458-T1474 CarbonylContact O-C 3.18Å; M1458-T1474 VanDerWaalsContact O-O 3.09Å; R1459-T1474 WeakPolarHBondContact CA-O 3.49Å; L1460-T1474 PolarHBondContact N-O 3.45Å; L1470-T1474 HydrophobicContact CG-CG2 4.34Å; L1470-T1474 WeakPolarHBondContact O-CG2 3.18Å; L1470-T1474 PolarHBondContact O-N 3.37Å; L1470-T1474 PolarHBondContact O-OG1 3.44Å; D1471-T1474 WeakPolarHBondContact CA-OG1 3.37Å; D1471-T1474 CarbonylContact O-C 3.22Å; D1471-T1474 WeakPolarHBondContact O-CA 3.44Å; D1471-T1474 PolarHBondContact O-N 3.08Å; D1471-T1474 PolarHBondContact O-OG1 3.2Å; T1474-W1476 PolarHBondContact O-N 3.18Å; T1474-H1477 CarbonylContact O-C 3.6Å; T1474-H1477 VanDerWaalsContact O-C 3.28Å; T1474-H1477 WeakPolarHBondContact O-CA 3.46Å; T1474-H1477 PolarHBondContact O-N 3.01Å; T1474-H1478 PolarHBondContact O-N 3.4Å; T1474-T1599 WeakPolarHBondContact CG2-O 3.27Å |
| 1475 | D | 34.6 | Very low | 40 | Very low | 86.6 Ų | 86.6 | 91.6 Ų | 91.6 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 8.1 | -177.7 | -120.9 | 2.2 | 0 | 0 | 0 | 113.6 | D1471 H1477 H1478 | D1471-D1475 WeakPolarHBondContact O-CB 3.43Å; D1471-D1475 PolarHBondContact O-N 2.79Å; D1475-H1477 VanDerWaalsContact C-N 3.28Å; D1475-H1477 PolarHBondContact O-N 3.16Å; D1475-H1478 PolarHBondContact O-N 3.48Å; D1475-H1478 IonicContact OD1-CD2 3.03Å; D1475-H1478 IonicContact OD1-CE1 3.64Å; D1475-H1478 PolarHBondContact OD1-CE1 3.21Å; D1475-H1478 VanDerWaalsContact OD1-CE1 3.26Å; D1475-H1478 IonicContact OD1-CG 3.59Å; D1475-H1478 IonicContact OD1-ND1 3.91Å; D1475-H1478 PolarHBondContact OD1-ND1 2.93Å; D1475-H1478 IonicContact OD1-NE2 3.55Å |
| 1476 | W | 38.8 | Very low | 41.9 | Very low | 102.6 Ų | 102.6 | 84.6 Ų | 84.6 | 39% | 0.389 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.2 | 179.4 | -80.4 | 68 | 0 | 0 | 0 | 114.2 | L1456 Y1472 V1473 T1474 P1596 F1597 I1598 R1639 I1789 | L1456-W1476 HydrophobicContact CD2-CZ3 4.27Å; L1456-W1476 VanDerWaalsContact O-CB 3.24Å; L1456-W1476 WeakPolarHBondContact O-CB 3.5Å; Y1472-W1476 VanDerWaalsContact O-CD1 3.25Å; V1473-W1476 HydrophobicContact CG1-CZ2 4.23Å; V1473-W1476 VanDerWaalsContact O-CD1 3.31Å; V1473-W1476 PolarHBondContact O-NE1 3.2Å; T1474-W1476 PolarHBondContact O-N 3.18Å; W1476-P1596 HydrophobicContact CH2-CB 3.34Å; W1476-P1596 HydrophobicContact CH2-CG 4.29Å; W1476-P1596 HydrophobicContact CZ2-CB 3.44Å; W1476-P1596 VanDerWaalsContact CZ2-CB 3.44Å; W1476-P1596 HydrophobicContact CZ2-CG 4.05Å; W1476-P1596 HydrophobicContact CZ3-CB 3.88Å; W1476-F1597 WeakPolarHBondContact CH2-O 3.43Å; W1476-F1597 WeakPolarHBondContact CZ3-O 3.35Å; W1476-I1598 HydrophobicContact CH2-CG1 4.34Å; W1476-I1598 HydrophobicContact CZ2-CG1 4.5Å; W1476-R1639 VanDerWaalsContact CE2-CD 3.48Å; W1476-R1639 HydrophobicContact CH2-CB 4.41Å; W1476-R1639 HydrophobicContact CZ2-CB 3.76Å; W1476-R1639 HydrophobicContact CZ2-CG 4.16Å; W1476-R1639 VanDerWaalsContact NE1-CZ 3.34Å; W1476-I1789 HydrophobicContact CH2-CG2 3.62Å; W1476-I1789 HydrophobicContact CZ2-CG2 4.33Å; W1476-I1789 HydrophobicContact CZ3-CG2 4.18Å |
| 1477 | H | 39.2 | Very low | 43.7 | Very low | 51.6 Ų | 51.6 | 78.7 Ų | 78.7 | 24% | 0.239 | 40% | 0.399 | C | S | . | . | trans | -128 | 30.7 | -165.3 | -74.4 | -71.7 | 0 | 0 | 0 | 115.2 | V1455 L1456 S1457 M1458 R1459 V1473 T1474 D1475 D1479 S1480 S1482 | V1455-H1477 PolarHBondContact O-CE1 3.21Å; V1455-H1477 PolarHBondContact O-NE2 3.45Å; V1455-H1477 VanDerWaalsContact O-NE2 3.16Å; L1456-H1477 VanDerWaalsContact C-NE2 3.31Å; L1456-H1477 WeakPolarHBondContact CA-NE2 3.41Å; L1456-H1477 PolarHBondContact O-CD2 2.94Å; L1456-H1477 PolarHBondContact O-NE2 3.28Å; S1457-H1477 VanDerWaalsContact C-CG 3.45Å; S1457-H1477 WeakPolarHBondContact CA-CD2 3.33Å; S1457-H1477 WeakPolarHBondContact CA-CE1 3.41Å; S1457-H1477 WeakPolarHBondContact CA-NE2 3.31Å; S1457-H1477 VanDerWaalsContact CB-CD2 3.48Å; S1457-H1477 WeakPolarHBondContact CB-CD2 3.46Å; S1457-H1477 WeakPolarHBondContact CB-CE1 3.42Å; S1457-H1477 WeakPolarHBondContact CB-ND1 3.48Å; S1457-H1477 WeakPolarHBondContact CB-NE2 3.35Å; S1457-H1477 PolarHBondContact N-CD2 3.36Å; S1457-H1477 PolarHBondContact N-NE2 3.12Å; S1457-H1477 VanDerWaalsContact N-NE2 3.19Å; S1457-H1477 WeakPolarHBondContact O-CB 3.39Å; S1457-H1477 PolarHBondContact O-CD2 3.46Å; S1457-H1477 PolarHBondContact O-ND1 3.5Å; S1457-H1477 PolarHBondContact O-NE2 3.43Å; S1457-H1477 PolarHBondContact OG-CE1 3.34Å; S1457-H1477 PolarHBondContact OG-ND1 2.87Å; S1457-H1477 PolarHBondContact OG-NE2 3.19Å; M1458-H1477 PolarHBondContact N-CD2 3.15Å; M1458-H1477 PolarHBondContact N-ND1 3.33Å; M1458-H1477 VanDerWaalsContact N-ND1 3.15Å; M1458-H1477 PolarHBondContact O-ND1 2.9Å; R1459-H1477 HydrophobicContact CB-CB 3.55Å; R1459-H1477 HydrophobicContact CG-CB 4.06Å; R1459-H1477 PolarHBondContact NH1-O 3.05Å; R1459-H1477 VanDerWaalsContact NH1-O 3.09Å; V1473-H1477 PolarHBondContact O-CD2 2.92Å; V1473-H1477 PolarHBondContact O-N 2.92Å; T1474-H1477 CarbonylContact O-C 3.6Å; T1474-H1477 VanDerWaalsContact O-C 3.28Å; T1474-H1477 WeakPolarHBondContact O-CA 3.46Å; T1474-H1477 PolarHBondContact O-N 3.01Å; D1475-H1477 VanDerWaalsContact C-N 3.28Å; D1475-H1477 PolarHBondContact O-N 3.16Å; H1477-D1479 VanDerWaalsContact C-N 3.33Å; H1477-D1479 CarbonylContact O-C 3.58Å; H1477-D1479 PolarHBondContact O-N 3.09Å; H1477-D1479 VanDerWaalsContact O-N 3.12Å; H1477-S1480 PolarHBondContact O-N 3.43Å; H1477-S1482 PolarHBondContact CE1-O 2.64Å | ||
| 1478 | H | 35.2 | Very low | 45.6 | Very low | 122.8 Ų | 122.8 | 72.3 Ų | 72.3 | 57% | 0.569 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -83 | -20.8 | 172.6 | -95.6 | -37.9 | 0 | 0 | 0 | 114.7 | R1459 T1474 D1475 S1480 | R1459-H1478 WeakPolarHBondContact CD-CD2 3.38Å; R1459-H1478 WeakPolarHBondContact CD-NE2 3.47Å; R1459-H1478 VanDerWaalsContact CZ-NE2 3.29Å; R1459-H1478 PolarHBondContact NE-CD2 3.42Å; R1459-H1478 PolarHBondContact NE-NE2 3.37Å; R1459-H1478 PolarHBondContact NH1-CD2 2.87Å; R1459-H1478 PolarHBondContact NH1-CE1 3Å; R1459-H1478 VanDerWaalsContact NH1-CG 3.31Å; R1459-H1478 PolarHBondContact NH1-ND1 3.1Å; R1459-H1478 VanDerWaalsContact NH1-ND1 3.19Å; R1459-H1478 PolarHBondContact NH1-NE2 3.03Å; R1459-H1478 VanDerWaalsContact NH1-NE2 3.13Å; R1459-H1478 PolarHBondContact NH1-O 3.39Å; R1459-H1478 PolarHBondContact NH2-CD2 3.14Å; R1459-H1478 VanDerWaalsContact NH2-CD2 3.29Å; R1459-H1478 PolarHBondContact NH2-NE2 2.97Å; R1459-H1478 VanDerWaalsContact NH2-NE2 3.13Å; T1474-H1478 PolarHBondContact O-N 3.4Å; D1475-H1478 PolarHBondContact O-N 3.48Å; D1475-H1478 IonicContact OD1-CD2 3.03Å; D1475-H1478 IonicContact OD1-CE1 3.64Å; D1475-H1478 PolarHBondContact OD1-CE1 3.21Å; D1475-H1478 VanDerWaalsContact OD1-CE1 3.26Å; D1475-H1478 IonicContact OD1-CG 3.59Å; D1475-H1478 IonicContact OD1-ND1 3.91Å; D1475-H1478 PolarHBondContact OD1-ND1 2.93Å; D1475-H1478 IonicContact OD1-NE2 3.55Å; H1478-S1480 PolarHBondContact O-N 3.13Å |
| 1479 | D | 35.3 | Very low | 47.6 | Very low | 117.4 Ų | 117.4 | 69.5 Ų | 69.5 | 63% | 0.628 | 35% | 0.349 | S | S | * | . | trans | -109.2 | 91.8 | 166.7 | -80.6 | -48.1 | 0 | 0 | 0 | 111.5 | H1477 R1481 S1482 | H1477-D1479 VanDerWaalsContact C-N 3.33Å; H1477-D1479 CarbonylContact O-C 3.58Å; H1477-D1479 PolarHBondContact O-N 3.09Å; H1477-D1479 VanDerWaalsContact O-N 3.12Å; D1479-R1481 PolarHBondContact O-N 3.11Å; D1479-R1481 VanDerWaalsContact O-N 3.07Å; D1479-S1482 VanDerWaalsContact O-CB 3.23Å; D1479-S1482 WeakPolarHBondContact O-CB 3.25Å; D1479-S1482 PolarHBondContact O-N 3.24Å; D1479-S1482 VanDerWaalsContact O-N 3.14Å; D1479-S1482 PolarHBondContact O-OG 3Å | ||
| 1480 | S | 35.6 | Very low | 49.5 | Very low | 78 Ų | 78 | 64.3 Ų | 64.3 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 4.1 | 171.1 | 36.2 | 0 | 0 | 0 | 0 | 114.8 | H1350 Q1354 H1477 H1478 S1482 | H1350-S1480 PolarHBondContact CE1-O 3.31Å; Q1354-S1480 PolarHBondContact NE2-O 3.08Å; H1477-S1480 PolarHBondContact O-N 3.43Å; H1478-S1480 PolarHBondContact O-N 3.13Å; S1480-S1482 PolarHBondContact O-N 3.15Å |
| 1481 | R | 39.4 | Very low | 51.5 | Low | 219.6 Ų | 219.6 | 60.6 Ų | 60.6 | 83% | 0.829 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 4.4 | 171.1 | -65.4 | 178.3 | 172.5 | 175.7 | -2.5 | 114.1 | D1479 K1896 | D1479-R1481 PolarHBondContact O-N 3.11Å; D1479-R1481 VanDerWaalsContact O-N 3.07Å; R1481-K1896 PolarHBondContact O-NZ 3.22Å |
| 1482 | S | 47.4 | Very low | 53.9 | Low | 42 Ų | 42 | 57.6 Ų | 57.6 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | trans | -98.1 | -14.4 | -171 | 64.4 | 0 | 0 | 0 | 0 | 115 | H1477 D1479 S1480 S1484 K1896 | H1477-S1482 PolarHBondContact CE1-O 2.64Å; D1479-S1482 VanDerWaalsContact O-CB 3.23Å; D1479-S1482 WeakPolarHBondContact O-CB 3.25Å; D1479-S1482 PolarHBondContact O-N 3.24Å; D1479-S1482 VanDerWaalsContact O-N 3.14Å; D1479-S1482 PolarHBondContact O-OG 3Å; S1480-S1482 PolarHBondContact O-N 3.15Å; S1482-S1484 WeakPolarHBondContact O-CB 3.33Å; S1482-S1484 PolarHBondContact O-N 3.14Å; S1482-S1484 VanDerWaalsContact O-N 3.15Å; S1482-S1484 PolarHBondContact O-OG 3.34Å; S1482-K1896 VanDerWaalsContact C-NZ 3.31Å; S1482-K1896 VanDerWaalsContact CA-NZ 3.26Å; S1482-K1896 PolarHBondContact O-NZ 3.19Å | ||
| 1483 | L | 55.3 | Low | 56.2 | Low | 39 Ų | 39 | 53 Ų | 53 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | trans | -65.1 | 99 | -172.7 | -157.8 | 74.9 | 0 | 0 | 0 | 112.1 | V1347 H1350 Y1383 M1485 I1789 | V1347-L1483 HydrophobicContact CB-CD2 4.39Å; V1347-L1483 HydrophobicContact CB-CG 4.32Å; V1347-L1483 HydrophobicContact CG1-CD2 4.5Å; V1347-L1483 HydrophobicContact CG1-CG 4.26Å; V1347-L1483 HydrophobicContact CG2-CD1 4.02Å; V1347-L1483 HydrophobicContact CG2-CD2 4.03Å; V1347-L1483 HydrophobicContact CG2-CG 3.9Å; H1350-L1483 HydrophobicContact CB-CD2 4.03Å; H1350-L1483 VanDerWaalsContact ND1-CD2 3.33Å; H1350-L1483 WeakPolarHBondContact ND1-CD2 3.3Å; Y1383-L1483 HydrophobicContact CE2-CB 4.35Å; Y1383-L1483 WeakPolarHBondContact CE2-O 3.35Å; Y1383-L1483 PolarHBondContact OH-O 2.86Å; L1483-M1485 PolarHBondContact O-N 2.66Å; L1483-I1789 HydrophobicContact CD1-CD1 3.76Å; L1483-I1789 HydrophobicContact CD1-CG2 4.4Å; L1483-I1789 HydrophobicContact CG-CD1 4.05Å | ||
| 1484 | S | 60.5 | Low | 58.3 | Low | 20.2 Ų | 20.2 | 51.8 Ų | 51.8 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | trans | -135.8 | 134.5 | -174.3 | 58 | 0 | 0 | 0 | 0 | 111.7 | S1482 | S1482-S1484 WeakPolarHBondContact O-CB 3.33Å; S1482-S1484 PolarHBondContact O-N 3.14Å; S1482-S1484 VanDerWaalsContact O-N 3.15Å; S1482-S1484 PolarHBondContact O-OG 3.34Å | ||
| 1485 | M | 70.5 | Confident | 60.5 | Low | 13.8 Ų | 13.8 | 49.2 Ų | 49.2 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | trans | -112 | 141.7 | 179.1 | -161.3 | 179.8 | 64.5 | 0 | 0 | 109.8 | L1343 K1344 V1347 L1483 N1489 D1490 C1790 M1886 I1889 A1893 | L1343-M1485 HydrophobicContact CB-SD 4.31Å; L1343-M1485 HydrophobicContact CD2-CG 4.35Å; L1343-M1485 HydrophobicContact CD2-SD 4.21Å; L1343-M1485 HydrophobicContact CG-CG 4.39Å; L1343-M1485 HydrophobicContact CG-SD 4.21Å; K1344-M1485 VanDerWaalsContact CA-SD 3.53Å; K1344-M1485 HydrophobicContact CB-CE 3.84Å; K1344-M1485 HydrophobicContact CB-SD 3.87Å; K1344-M1485 HydrophobicContact CD-CE 4.32Å; K1344-M1485 HydrophobicContact CG-CE 3.8Å; K1344-M1485 HydrophobicContact CG-SD 4.45Å; V1347-M1485 HydrophobicContact CG2-CB 4.34Å; L1483-M1485 PolarHBondContact O-N 2.66Å; M1485-N1489 HydrophobicContact CE-CB 3.56Å; M1485-N1489 HydrophobicContact CG-CB 4.41Å; M1485-D1490 HydrophobicContact CE-CB 4.41Å; M1485-D1490 WeakPolarHBondContact CE-OD1 3.37Å; M1485-D1490 HydrophobicContact SD-CB 4.48Å; M1485-C1790 HydrophobicContact CG-CB 4.16Å; M1485-M1886 HydrophobicContact CE-CE 3.79Å; M1485-I1889 HydrophobicContact CB-CG2 4.44Å; M1485-A1893 WeakPolarHBondContact O-CB 3.44Å | ||
| 1486 | L | 72.5 | Confident | 62.4 | Low | 21.2 Ų | 21.2 | 47.6 Ų | 47.6 | 11% | 0.111 | 24% | 0.236 | C | C | . | . | trans | -85 | 145.6 | 174.1 | -67.5 | 161.9 | 0 | 0 | 0 | 109.8 | V1488 N1489 D1490 P1788 C1790 L1791 A1893 L1897 F1907 | L1486-V1488 PolarHBondContact O-N 3.19Å; L1486-V1488 VanDerWaalsContact O-N 3.13Å; L1486-N1489 WeakPolarHBondContact O-CA 3.34Å; L1486-N1489 WeakPolarHBondContact O-CB 3.37Å; L1486-N1489 PolarHBondContact O-N 3.23Å; L1486-D1490 PolarHBondContact O-N 3.04Å; L1486-P1788 HydrophobicContact CD1-CB 4.38Å; L1486-P1788 HydrophobicContact CD1-CG 4.38Å; L1486-C1790 PolarHBondContact N-SG 3.39Å; L1486-C1790 VanDerWaalsContact N-SG 3.41Å; L1486-L1791 HydrophobicContact CD1-CD1 3.92Å; L1486-L1791 HydrophobicContact CD1-CD2 4.07Å; L1486-L1791 HydrophobicContact CD1-CG 3.86Å; L1486-A1893 HydrophobicContact CD2-CB 3.79Å; L1486-A1893 HydrophobicContact CG-CB 4.21Å; L1486-L1897 HydrophobicContact CD1-CD1 4.48Å; L1486-L1897 HydrophobicContact CD1-CD2 4.09Å; L1486-L1897 HydrophobicContact CD2-CD1 3.79Å; L1486-L1897 HydrophobicContact CD2-CD2 4.32Å; L1486-L1897 HydrophobicContact CD2-CG 4.15Å; L1486-F1907 HydrophobicContact CD1-CD1 3.98Å; L1486-F1907 HydrophobicContact CD1-CE1 3.75Å; L1486-F1907 HydrophobicContact CD2-CD1 4.35Å | ||
| 1487 | P | 69.4 | Low | 64.2 | Low | 26.8 Ų | 26.8 | 46.3 Ų | 46.3 | 17% | 0.174 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -54.1 | -34.2 | -179.9 | -25.5 | 31.5 | 0 | 0 | 0 | 114.2 | N1489 D1490 H1757 W1890 N1910 T1914 | P1487-N1489 PolarHBondContact O-N 2.97Å; P1487-N1489 VanDerWaalsContact O-N 3.16Å; P1487-D1490 WeakPolarHBondContact CA-OD1 3.31Å; P1487-D1490 PolarHBondContact O-N 3.02Å; P1487-H1757 PolarHBondContact O-CE1 3.28Å; P1487-H1757 VanDerWaalsContact O-CE1 3.26Å; P1487-W1890 HydrophobicContact CB-CD2 4.42Å; P1487-W1890 HydrophobicContact CB-CZ2 4.36Å; P1487-W1890 HydrophobicContact CG-CB 4.17Å; P1487-W1890 HydrophobicContact CG-CD2 3.86Å; P1487-W1890 HydrophobicContact CG-CE3 4.43Å; P1487-W1890 HydrophobicContact CG-CG 3.69Å; P1487-N1910 HydrophobicContact CB-CB 4.41Å; P1487-T1914 HydrophobicContact CB-CG2 4.27Å |
| 1488 | V | 71.9 | Confident | 65.9 | Low | 6.8 Ų | 6.8 | 46.6 Ų | 46.6 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -63.4 | -24.2 | 176.8 | -174 | 0 | 0 | 0 | 0 | 112.3 | L1486 H1491 H1757 A1760 M1764 L1906 N1910 | L1486-V1488 PolarHBondContact O-N 3.19Å; L1486-V1488 VanDerWaalsContact O-N 3.13Å; V1488-H1491 PolarHBondContact O-CE1 2.97Å; V1488-H1491 VanDerWaalsContact O-CE1 3.24Å; V1488-H1491 PolarHBondContact O-ND1 3.06Å; V1488-H1757 PolarHBondContact O-ND1 3.12Å; V1488-A1760 HydrophobicContact CG1-CB 3.45Å; V1488-A1760 VanDerWaalsContact CG1-CB 3.45Å; V1488-M1764 HydrophobicContact CB-CE 4.19Å; V1488-M1764 HydrophobicContact CG1-CE 3.75Å; V1488-M1764 HydrophobicContact CG1-SD 4.15Å; V1488-L1906 HydrophobicContact CB-CD2 4.4Å; V1488-L1906 HydrophobicContact CG1-CD2 4.28Å; V1488-L1906 HydrophobicContact CG2-CD2 3.98Å; V1488-L1906 HydrophobicContact CG2-CG 4.38Å; V1488-L1906 WeakPolarHBondContact CG2-O 3.19Å; V1488-N1910 HydrophobicContact CG2-CB 4.02Å |
| 1489 | N | 76.4 | Confident | 68.1 | Low | 8.2 Ų | 8.2 | 41.4 Ų | 41.4 | 4% | 0.044 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -101.6 | 3.6 | -174.2 | -63.9 | 13.1 | 0 | 0 | 0 | 113.5 | L1343 M1485 L1486 P1487 H1491 L1492 M1764 C1790 L1791 I1794 | L1343-N1489 HydrophobicContact CD2-CB 4.05Å; M1485-N1489 HydrophobicContact CE-CB 3.56Å; M1485-N1489 HydrophobicContact CG-CB 4.41Å; L1486-N1489 WeakPolarHBondContact O-CA 3.34Å; L1486-N1489 WeakPolarHBondContact O-CB 3.37Å; L1486-N1489 PolarHBondContact O-N 3.23Å; P1487-N1489 PolarHBondContact O-N 2.97Å; P1487-N1489 VanDerWaalsContact O-N 3.16Å; N1489-H1491 PolarHBondContact O-N 3.17Å; N1489-H1491 VanDerWaalsContact O-N 3.1Å; N1489-L1492 HydrophobicContact CB-CD1 3.79Å; N1489-L1492 HydrophobicContact CB-CG 4.17Å; N1489-L1492 WeakPolarHBondContact O-CB 3.27Å; N1489-L1492 VanDerWaalsContact O-CG 3.3Å; N1489-L1492 WeakPolarHBondContact O-CG 3.33Å; N1489-L1492 PolarHBondContact O-N 3.17Å; N1489-L1492 VanDerWaalsContact O-N 3.1Å; N1489-M1764 WeakPolarHBondContact OD1-CE 3.45Å; N1489-C1790 HydrophobicContact CB-CB 3.79Å; N1489-C1790 PolarHBondContact ND2-O 2.91Å; N1489-C1790 VanDerWaalsContact ND2-O 3.1Å; N1489-C1790 PolarHBondContact ND2-SG 3.18Å; N1489-L1791 WeakPolarHBondContact ND2-CD2 3.31Å; N1489-I1794 VanDerWaalsContact ND2-CD1 3.34Å; N1489-I1794 WeakPolarHBondContact ND2-CD1 3.42Å; N1489-I1794 WeakPolarHBondContact OD1-CD1 3.43Å |
| 1490 | D | 74.5 | Confident | 70.3 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.6 | -179.3 | -95.7 | 40.1 | 0 | 0 | 0 | 114.1 | K1344 M1485 L1486 P1487 L1492 M1886 W1890 | K1344-D1490 WeakPolarHBondContact CB-O 3.49Å; K1344-D1490 HydrophobicContact CD-CB 4.34Å; K1344-D1490 WeakPolarHBondContact CD-OD1 3.12Å; K1344-D1490 WeakPolarHBondContact CD-OD2 3.24Å; K1344-D1490 VanDerWaalsContact CE-OD2 3.29Å; K1344-D1490 WeakPolarHBondContact CE-OD2 3.27Å; K1344-D1490 IonicContact NZ-OD1 2.72Å; K1344-D1490 IonicContact NZ-OD2 3.08Å; K1344-D1490 PolarHBondContact NZ-OD2 2.95Å; M1485-D1490 HydrophobicContact CE-CB 4.41Å; M1485-D1490 WeakPolarHBondContact CE-OD1 3.37Å; M1485-D1490 HydrophobicContact SD-CB 4.48Å; L1486-D1490 PolarHBondContact O-N 3.04Å; P1487-D1490 WeakPolarHBondContact CA-OD1 3.31Å; P1487-D1490 PolarHBondContact O-N 3.02Å; D1490-L1492 VanDerWaalsContact C-N 3.32Å; D1490-L1492 PolarHBondContact O-N 3.23Å; D1490-M1886 VanDerWaalsContact OD2-CE 3.29Å; D1490-M1886 WeakPolarHBondContact OD2-CE 3.3Å; D1490-W1890 PolarHBondContact OD1-NE1 3.1Å; D1490-W1890 VanDerWaalsContact OD1-NE1 3.1Å; D1490-W1890 WeakPolarHBondContact OD2-CZ2 3.25Å |
| 1491 | H | 80.3 | Confident | 72.6 | Confident | 23.4 Ų | 23.4 | 35.6 Ų | 35.6 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.5 | -177.9 | -19.8 | -57 | 0 | 0 | 0 | 114.4 | V1488 N1489 L1493 C1592 H1757 S1761 W1863 | V1488-H1491 PolarHBondContact O-CE1 2.97Å; V1488-H1491 VanDerWaalsContact O-CE1 3.24Å; V1488-H1491 PolarHBondContact O-ND1 3.06Å; N1489-H1491 PolarHBondContact O-N 3.17Å; N1489-H1491 VanDerWaalsContact O-N 3.1Å; H1491-L1493 PolarHBondContact O-N 2.61Å; H1491-C1592 VanDerWaalsContact O-CB 3.3Å; H1491-C1592 WeakPolarHBondContact O-CB 3.3Å; H1491-H1757 HydrophobicContact CB-CB 4.27Å; H1491-H1757 AromaticContact CD2-CD2 3.37Å; H1491-H1757 PolarHBondContact CD2-CD2 3.37Å; H1491-H1757 AromaticContact CD2-CG 3.62Å; H1491-H1757 PolarHBondContact CE1-O 3.2Å; H1491-H1757 VanDerWaalsContact CE1-O 3.3Å; H1491-H1757 WeakPolarHBondContact ND1-CB 3.34Å; H1491-H1757 AromaticContact NE2-CD2 3.55Å; H1491-H1757 PolarHBondContact NE2-O 3.11Å; H1491-S1761 PolarHBondContact CE1-OG 3.07Å; H1491-S1761 PolarHBondContact NE2-OG 3.15Å; H1491-W1863 HydrophobicContact CB-CE3 4.31Å; H1491-W1863 HydrophobicContact CB-CZ3 4.02Å; H1491-W1863 PolarHBondContact CE1-O 3.24Å; H1491-W1863 AromaticContact CG-CE3 3.92Å; H1491-W1863 AromaticContact ND1-CE3 3.67Å; H1491-W1863 PolarHBondContact ND1-O 3.29Å; H1491-W1863 VanDerWaalsContact ND1-O 3.14Å |
| 1492 | L | 83.5 | Confident | 74.7 | Confident | 6.8 Ų | 6.8 | 29.8 Ų | 29.8 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | trans | -66.5 | 134.7 | -174.6 | -81.5 | 165.9 | 0 | 0 | 0 | 112.6 | S1342 L1343 N1489 D1490 Y1594 C1790 L1793 I1794 | S1342-L1492 CarbonylContact C-O 3.41Å; L1343-L1492 HydrophobicContact CB-CB 4.16Å; L1343-L1492 WeakPolarHBondContact CB-O 3.33Å; L1343-L1492 HydrophobicContact CD2-CB 4.2Å; L1343-L1492 HydrophobicContact CD2-CD1 4.01Å; L1343-L1492 HydrophobicContact CD2-CD2 3.9Å; L1343-L1492 PolarHBondContact N-O 3.42Å; N1489-L1492 HydrophobicContact CB-CD1 3.79Å; N1489-L1492 HydrophobicContact CB-CG 4.17Å; N1489-L1492 WeakPolarHBondContact O-CB 3.27Å; N1489-L1492 VanDerWaalsContact O-CG 3.3Å; N1489-L1492 WeakPolarHBondContact O-CG 3.33Å; N1489-L1492 PolarHBondContact O-N 3.17Å; N1489-L1492 VanDerWaalsContact O-N 3.1Å; D1490-L1492 VanDerWaalsContact C-N 3.32Å; D1490-L1492 PolarHBondContact O-N 3.23Å; L1492-Y1594 HydrophobicContact CD2-CD1 4.48Å; L1492-Y1594 HydrophobicContact CD2-CD2 3.78Å; L1492-Y1594 HydrophobicContact CD2-CE2 3.4Å; L1492-Y1594 VanDerWaalsContact CD2-CE2 3.43Å; L1492-Y1594 HydrophobicContact CD2-CG 4.24Å; L1492-C1790 HydrophobicContact CD1-CB 4.05Å; L1492-C1790 WeakPolarHBondContact CD1-O 3.48Å; L1492-L1793 HydrophobicContact CD1-CD2 4.45Å; L1492-I1794 HydrophobicContact CD1-CD1 4.07Å; L1492-I1794 HydrophobicContact CD1-CG1 4.16Å; L1492-I1794 HydrophobicContact CD2-CD1 4.22Å; L1492-I1794 HydrophobicContact CD2-CG1 4.26Å | ||
| 1493 | L | 85.6 | Confident | 76.6 | Confident | 2.6 Ų | 2.6 | 30.9 Ų | 30.9 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.9 | 177.1 | -53.4 | 178.6 | 0 | 0 | 0 | 110.9 | R1340 I1341 H1491 M1555 Q1589 C1592 S1593 Y1594 W1863 P1864 | R1340-L1493 HydrophobicContact CB-CB 4.33Å; I1341-L1493 CarbonylContact O-C 3.25Å; I1341-L1493 WeakPolarHBondContact O-CA 3.45Å; H1491-L1493 PolarHBondContact O-N 2.61Å; L1493-M1555 HydrophobicContact CD1-CE 3.59Å; L1493-M1555 VanDerWaalsContact CD1-CE 3.48Å; L1493-M1555 HydrophobicContact CD1-SD 3.83Å; L1493-M1555 HydrophobicContact CD2-CE 3.54Å; L1493-M1555 VanDerWaalsContact CD2-CE 3.42Å; L1493-M1555 HydrophobicContact CD2-SD 3.77Å; L1493-M1555 VanDerWaalsContact CD2-SD 3.59Å; L1493-M1555 HydrophobicContact CG-CE 4.21Å; L1493-M1555 HydrophobicContact CG-SD 4.36Å; L1493-Q1589 HydrophobicContact CD1-CB 3.9Å; L1493-Q1589 HydrophobicContact CD1-CG 4.09Å; L1493-Q1589 WeakPolarHBondContact CD1-O 3.41Å; L1493-C1592 HydrophobicContact CB-CB 4.48Å; L1493-C1592 HydrophobicContact CD1-CB 4.02Å; L1493-C1592 HydrophobicContact CG-CB 3.98Å; L1493-C1592 PolarHBondContact N-O 3Å; L1493-S1593 CarbonylContact O-C 3.21Å; L1493-S1593 WeakPolarHBondContact O-CA 3.21Å; L1493-Y1594 PolarHBondContact O-N 2.85Å; L1493-W1863 HydrophobicContact CD1-CH2 4.39Å; L1493-P1864 HydrophobicContact CD2-CB 4.33Å; L1493-P1864 HydrophobicContact CD2-CG 3.8Å |
| 1494 | V | 82.7 | Confident | 78.2 | Confident | 23.4 Ų | 23.4 | 29.2 Ų | 29.2 | 14% | 0.142 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.6 | 179.8 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | R1340 I1341 Y1594 P1596 L1793 | R1340-V1494 CarbonylContact C-O 3.48Å; R1340-V1494 VanDerWaalsContact CA-O 3.27Å; R1340-V1494 WeakPolarHBondContact CA-O 3.4Å; I1341-V1494 HydrophobicContact CG2-CB 4.11Å; I1341-V1494 PolarHBondContact N-O 3.16Å; I1341-V1494 PolarHBondContact O-N 3.17Å; V1494-Y1594 WeakPolarHBondContact CA-O 3.3Å; V1494-P1596 HydrophobicContact CG1-CB 3.79Å; V1494-P1596 HydrophobicContact CG1-CG 4.13Å; V1494-L1793 HydrophobicContact CG2-CD2 3.81Å |
| 1495 | Y | 83 | Confident | 79.5 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 141.1 | 175.7 | -74.8 | -79.1 | 0 | 0 | 0 | 112.3 | T1338 R1340 Y1499 Y1590 S1593 Y1594 L1595 P1596 N1650 | T1338-Y1495 WeakPolarHBondContact O-CE1 3.47Å; R1340-Y1495 HydrophobicContact CG-CD1 3.96Å; R1340-Y1495 HydrophobicContact CG-CE1 3.91Å; R1340-Y1495 HydrophobicContact CG-CG 4.37Å; R1340-Y1495 VanDerWaalsContact NE-CE1 3.31Å; R1340-Y1495 PolarHBondContact NE-OH 3.42Å; R1340-Y1495 VanDerWaalsContact NE-OH 3.13Å; R1340-Y1495 VanDerWaalsContact NH2-CE1 3.32Å; R1340-Y1495 PolarHBondContact NH2-OH 3.24Å; R1340-Y1495 VanDerWaalsContact NH2-OH 3.14Å; Y1495-Y1499 AromaticContact CD1-CD1 3.75Å; Y1495-Y1499 HydrophobicContact CD1-CD1 3.75Å; Y1495-Y1499 AromaticContact CD1-CE1 3.82Å; Y1495-Y1499 HydrophobicContact CD1-CE1 3.82Å; Y1495-Y1499 HydrophobicContact CD2-CD1 4.42Å; Y1495-Y1499 AromaticContact CD2-CE1 3.81Å; Y1495-Y1499 HydrophobicContact CD2-CE1 3.86Å; Y1495-Y1499 AromaticContact CE1-CD1 3.73Å; Y1495-Y1499 HydrophobicContact CE1-CD1 3.73Å; Y1495-Y1499 AromaticContact CE1-CE1 3.53Å; Y1495-Y1499 HydrophobicContact CE1-CE1 3.53Å; Y1495-Y1499 VanDerWaalsContact CE1-CE1 3.45Å; Y1495-Y1499 HydrophobicContact CE1-CG 4.47Å; Y1495-Y1499 HydrophobicContact CE2-CD1 4.38Å; Y1495-Y1499 AromaticContact CE2-CE1 3.55Å; Y1495-Y1499 HydrophobicContact CE2-CE1 3.55Å; Y1495-Y1499 VanDerWaalsContact CE2-CE1 3.43Å; Y1495-Y1499 HydrophobicContact CG-CD1 4.14Å; Y1495-Y1499 AromaticContact CG-CE1 3.95Å; Y1495-Y1499 HydrophobicContact CG-CE1 3.98Å; Y1495-Y1499 AromaticContact CZ-CD1 3.98Å; Y1495-Y1499 AromaticContact CZ-CE1 3.39Å; Y1495-Y1499 AromaticContact CZ-CZ 3.79Å; Y1495-Y1499 PolarHBondContact OH-OH 2.99Å; Y1495-Y1590 VanDerWaalsContact OH-CD1 3.3Å; Y1495-Y1590 WeakPolarHBondContact OH-CD1 3.31Å; Y1495-Y1590 VanDerWaalsContact OH-CE1 3.26Å; Y1495-Y1590 WeakPolarHBondContact OH-CE1 3.32Å; Y1495-S1593 VanDerWaalsContact CE2-CB 3.45Å; Y1495-S1593 VanDerWaalsContact CE2-OG 3.27Å; Y1495-S1593 WeakPolarHBondContact CE2-OG 3.4Å; Y1495-S1593 WeakPolarHBondContact OH-CB 3.48Å; Y1495-S1593 PolarHBondContact OH-OG 2.96Å; Y1495-Y1594 WeakPolarHBondContact CD2-O 3.39Å; Y1495-Y1594 PolarHBondContact N-O 3.14Å; Y1495-Y1594 VanDerWaalsContact N-O 3.11Å; Y1495-L1595 HydrophobicContact CD2-CD1 3.82Å; Y1495-L1595 HydrophobicContact CD2-CD2 3.69Å; Y1495-L1595 HydrophobicContact CD2-CG 4.43Å; Y1495-L1595 HydrophobicContact CE2-CD1 4.47Å; Y1495-L1595 HydrophobicContact CE2-CD2 4.3Å; Y1495-L1595 HydrophobicContact CG-CD2 4.3Å; Y1495-P1596 WeakPolarHBondContact O-CD 3.38Å; Y1495-P1596 WeakPolarHBondContact O-CG 3.36Å; Y1495-N1650 VanDerWaalsContact CE2-OD1 3.27Å; Y1495-N1650 WeakPolarHBondContact CE2-OD1 3.47Å |
| 1496 | L | 74.6 | Confident | 80.4 | Confident | 51.4 Ų | 51.4 | 31.1 Ų | 31.1 | 27% | 0.269 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -83.6 | -24.5 | 175.8 | -72.5 | 179.2 | 0 | 0 | 0 | 113.7 | A1339 I1341 L1452 S1554 F1640 | A1339-L1496 HydrophobicContact CB-CD1 4.23Å; A1339-L1496 WeakPolarHBondContact O-CB 2.9Å; A1339-L1496 PolarHBondContact O-N 3.23Å; I1341-L1496 HydrophobicContact CB-CD2 4.05Å; I1341-L1496 HydrophobicContact CB-CG 4.45Å; I1341-L1496 HydrophobicContact CD1-CD1 4.34Å; I1341-L1496 HydrophobicContact CD1-CD2 3.61Å; I1341-L1496 HydrophobicContact CD1-CG 4.28Å; I1341-L1496 HydrophobicContact CG1-CD1 4.29Å; I1341-L1496 HydrophobicContact CG1-CD2 3.98Å; I1341-L1496 HydrophobicContact CG1-CG 4.11Å; I1341-L1496 HydrophobicContact CG2-CD2 3.66Å; I1341-L1496 HydrophobicContact CG2-CG 4.41Å; L1452-L1496 HydrophobicContact CD1-CD2 3.98Å; L1452-L1496 HydrophobicContact CD2-CD2 3.88Å; L1452-L1496 HydrophobicContact CG-CD2 4.29Å; L1496-S1554 VanDerWaalsContact CD1-OG 3.28Å; L1496-S1554 WeakPolarHBondContact CD1-OG 3.4Å; L1496-F1640 VanDerWaalsContact O-CE2 3.32Å; L1496-F1640 WeakPolarHBondContact O-CE2 3.42Å; L1496-F1640 WeakPolarHBondContact O-CZ 3.44Å |
| 1497 | Q | 75.1 | Confident | 81.2 | Confident | 76 Ų | 76 | 30.1 Ų | 30.1 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -144.7 | 164.7 | -174.1 | -63.1 | -173.6 | -10.5 | 0 | 0 | 110.8 | Y1499 Y1642 | Q1497-Y1499 PolarHBondContact O-N 3.03Å; Q1497-Y1642 VanDerWaalsContact C-OH 3.23Å; Q1497-Y1642 PolarHBondContact O-OH 3.16Å |
| 1498 | N | 74.9 | Confident | 82.2 | Confident | 57.2 Ų | 57.2 | 28.9 Ų | 28.9 | 31% | 0.306 | 15% | 0.146 | S | C | . | . | trans | -71.7 | 131.2 | 166.6 | -61.9 | 44.9 | 0 | 0 | 0 | 109.1 | S1337 F1640 Y1642 E1646 | S1337-N1498 WeakPolarHBondContact CB-O 3.39Å; S1337-N1498 PolarHBondContact OG-O 3.41Å; S1337-N1498 VanDerWaalsContact OG-O 3.06Å; N1498-F1640 PolarHBondContact ND2-O 3.14Å; N1498-F1640 WeakPolarHBondContact OD1-CB 2.98Å; N1498-F1640 WeakPolarHBondContact OD1-CD2 3.48Å; N1498-F1640 WeakPolarHBondContact OD1-CG 3.45Å; N1498-Y1642 HydrophobicContact CB-CD1 4.43Å; N1498-Y1642 HydrophobicContact CB-CE1 4.04Å; N1498-Y1642 VanDerWaalsContact CG-CE1 3.45Å; N1498-Y1642 PolarHBondContact N-OH 3.49Å; N1498-Y1642 VanDerWaalsContact ND2-CD1 3.35Å; N1498-Y1642 WeakPolarHBondContact ND2-CD1 3.47Å; N1498-Y1642 VanDerWaalsContact ND2-CE1 3.33Å; N1498-Y1642 WeakPolarHBondContact ND2-CE1 3.43Å; N1498-Y1642 WeakPolarHBondContact OD1-CE1 3.34Å; N1498-Y1642 PolarHBondContact OD1-OH 3.16Å; N1498-E1646 PolarHBondContact ND2-OE1 3.48Å; N1498-E1646 PolarHBondContact ND2-OE2 3.02Å; N1498-E1646 VanDerWaalsContact ND2-OE2 3.1Å | ||
| 1499 | Y | 81.3 | Confident | 83 | Confident | 14.8 Ų | 14.8 | 29.3 Ų | 29.3 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | trans | -118.6 | 153.2 | 175.6 | 71.5 | -85.2 | 0 | 0 | 0 | 110.2 | T1338 Y1495 Q1497 S1501 V1504 Y1590 L1595 N1650 | T1338-Y1499 HydrophobicContact CG2-CD2 4.25Å; T1338-Y1499 HydrophobicContact CG2-CG 4.22Å; Y1495-Y1499 AromaticContact CD1-CD1 3.75Å; Y1495-Y1499 HydrophobicContact CD1-CD1 3.75Å; Y1495-Y1499 AromaticContact CD1-CE1 3.82Å; Y1495-Y1499 HydrophobicContact CD1-CE1 3.82Å; Y1495-Y1499 HydrophobicContact CD2-CD1 4.42Å; Y1495-Y1499 AromaticContact CD2-CE1 3.81Å; Y1495-Y1499 HydrophobicContact CD2-CE1 3.86Å; Y1495-Y1499 AromaticContact CE1-CD1 3.73Å; Y1495-Y1499 HydrophobicContact CE1-CD1 3.73Å; Y1495-Y1499 AromaticContact CE1-CE1 3.53Å; Y1495-Y1499 HydrophobicContact CE1-CE1 3.53Å; Y1495-Y1499 VanDerWaalsContact CE1-CE1 3.45Å; Y1495-Y1499 HydrophobicContact CE1-CG 4.47Å; Y1495-Y1499 HydrophobicContact CE2-CD1 4.38Å; Y1495-Y1499 AromaticContact CE2-CE1 3.55Å; Y1495-Y1499 HydrophobicContact CE2-CE1 3.55Å; Y1495-Y1499 VanDerWaalsContact CE2-CE1 3.43Å; Y1495-Y1499 HydrophobicContact CG-CD1 4.14Å; Y1495-Y1499 AromaticContact CG-CE1 3.95Å; Y1495-Y1499 HydrophobicContact CG-CE1 3.98Å; Y1495-Y1499 AromaticContact CZ-CD1 3.98Å; Y1495-Y1499 AromaticContact CZ-CE1 3.39Å; Y1495-Y1499 AromaticContact CZ-CZ 3.79Å; Y1495-Y1499 PolarHBondContact OH-OH 2.99Å; Q1497-Y1499 PolarHBondContact O-N 3.03Å; Y1499-S1501 PolarHBondContact O-N 2.99Å; Y1499-S1501 VanDerWaalsContact O-N 3.1Å; Y1499-V1504 HydrophobicContact CD2-CB 4.41Å; Y1499-V1504 HydrophobicContact CD2-CG2 3.65Å; Y1499-V1504 HydrophobicContact CE2-CB 4.08Å; Y1499-V1504 HydrophobicContact CE2-CG1 4.41Å; Y1499-V1504 HydrophobicContact CE2-CG2 3.71Å; Y1499-Y1590 HydrophobicContact CE2-CE1 4.47Å; Y1499-L1595 HydrophobicContact CE1-CD2 3.97Å; Y1499-N1650 PolarHBondContact OH-OD1 3.13Å; Y1499-N1650 VanDerWaalsContact OH-OD1 3.06Å | ||
| 1500 | D | 82.9 | Confident | 83.6 | Confident | 64.6 Ų | 64.6 | 29.3 Ų | 29.3 | 35% | 0.345 | 15% | 0.149 | S | C | . | . | trans | -73 | 99.1 | 174.1 | -173.1 | -10.8 | 0 | 0 | 0 | 109.6 | N1502 Q1503 V1504 | D1500-N1502 PolarHBondContact O-N 3.18Å; D1500-N1502 VanDerWaalsContact O-N 3.17Å; D1500-N1502 WeakPolarHBondContact OD1-CA 3.36Å; D1500-N1502 VanDerWaalsContact OD1-CB 3.28Å; D1500-N1502 WeakPolarHBondContact OD1-CB 3.36Å; D1500-N1502 PolarHBondContact OD1-N 3.17Å; D1500-N1502 PolarHBondContact OD1-ND2 3.02Å; D1500-Q1503 HydrophobicContact CB-CB 4.3Å; D1500-Q1503 HydrophobicContact CB-CG 4.12Å; D1500-Q1503 PolarHBondContact O-N 3.06Å; D1500-Q1503 PolarHBondContact OD1-N 3.08Å; D1500-Q1503 WeakPolarHBondContact OD2-CG 3.38Å; D1500-Q1503 PolarHBondContact OD2-NE2 3.12Å; D1500-V1504 PolarHBondContact O-N 3.12Å | ||
| 1501 | S | 82.7 | Confident | 84.4 | Confident | 8.8 Ų | 8.8 | 28.6 Ų | 28.6 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -25.5 | 179.3 | 44.6 | 0 | 0 | 0 | 0 | 113.1 | Y1499 V1504 I1505 A1649 | Y1499-S1501 PolarHBondContact O-N 2.99Å; Y1499-S1501 VanDerWaalsContact O-N 3.1Å; S1501-V1504 PolarHBondContact O-N 3.08Å; S1501-I1505 WeakPolarHBondContact O-CB 3.46Å; S1501-I1505 WeakPolarHBondContact O-CD1 3.49Å; S1501-I1505 VanDerWaalsContact O-CG1 3.25Å; S1501-I1505 WeakPolarHBondContact O-CG1 3.38Å; S1501-I1505 PolarHBondContact O-N 3.09Å; S1501-A1649 VanDerWaalsContact CB-CB 3.46Å; S1501-A1649 WeakPolarHBondContact OG-CB 3.17Å |
| 1502 | N | 84.2 | Confident | 84.9 | Confident | 98.2 Ų | 98.2 | 31.1 Ų | 31.1 | 53% | 0.525 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -72.1 | -38.9 | -179.9 | -51.6 | -65.6 | 0 | 0 | 0 | 111.2 | D1500 V1504 I1505 Y1506 | D1500-N1502 PolarHBondContact O-N 3.18Å; D1500-N1502 VanDerWaalsContact O-N 3.17Å; D1500-N1502 WeakPolarHBondContact OD1-CA 3.36Å; D1500-N1502 VanDerWaalsContact OD1-CB 3.28Å; D1500-N1502 WeakPolarHBondContact OD1-CB 3.36Å; D1500-N1502 PolarHBondContact OD1-N 3.17Å; D1500-N1502 PolarHBondContact OD1-ND2 3.02Å; N1502-V1504 VanDerWaalsContact C-N 3.32Å; N1502-V1504 PolarHBondContact O-N 3.1Å; N1502-I1505 PolarHBondContact O-N 3.09Å; N1502-Y1506 VanDerWaalsContact O-CB 3.28Å; N1502-Y1506 WeakPolarHBondContact O-CB 3.33Å; N1502-Y1506 PolarHBondContact O-N 3.18Å |
| 1503 | Q | 87.2 | Confident | 85.1 | Confident | 65.6 Ų | 65.6 | 31.3 Ų | 31.3 | 31% | 0.307 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.4 | -68.6 | 176.4 | 43.2 | 0 | 0 | 111 | I1332 D1500 I1505 Y1506 A1507 | I1332-Q1503 VanDerWaalsContact CG2-C 3.47Å; I1332-Q1503 HydrophobicContact CG2-CB 3.77Å; I1332-Q1503 VanDerWaalsContact CG2-O 3.31Å; I1332-Q1503 WeakPolarHBondContact CG2-O 3.42Å; D1500-Q1503 HydrophobicContact CB-CB 4.3Å; D1500-Q1503 HydrophobicContact CB-CG 4.12Å; D1500-Q1503 PolarHBondContact O-N 3.06Å; D1500-Q1503 PolarHBondContact OD1-N 3.08Å; D1500-Q1503 WeakPolarHBondContact OD2-CG 3.38Å; D1500-Q1503 PolarHBondContact OD2-NE2 3.12Å; Q1503-I1505 VanDerWaalsContact C-N 3.35Å; Q1503-I1505 PolarHBondContact O-N 3.21Å; Q1503-Y1506 WeakPolarHBondContact O-CB 3.43Å; Q1503-Y1506 PolarHBondContact O-N 3.17Å; Q1503-A1507 WeakPolarHBondContact O-CB 3.29Å; Q1503-A1507 PolarHBondContact O-N 3.06Å |
| 1504 | V | 88.8 | Confident | 85.3 | Confident | 2.2 Ų | 2.2 | 31.2 Ų | 31.2 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 176 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | L1333 T1338 Y1499 D1500 S1501 N1502 Y1506 A1507 F1508 Y1590 V1653 | L1333-V1504 HydrophobicContact CD2-CG1 4.2Å; T1338-V1504 HydrophobicContact CG2-CG2 4.28Å; Y1499-V1504 HydrophobicContact CD2-CB 4.41Å; Y1499-V1504 HydrophobicContact CD2-CG2 3.65Å; Y1499-V1504 HydrophobicContact CE2-CB 4.08Å; Y1499-V1504 HydrophobicContact CE2-CG1 4.41Å; Y1499-V1504 HydrophobicContact CE2-CG2 3.71Å; D1500-V1504 PolarHBondContact O-N 3.12Å; S1501-V1504 PolarHBondContact O-N 3.08Å; N1502-V1504 VanDerWaalsContact C-N 3.32Å; N1502-V1504 PolarHBondContact O-N 3.1Å; V1504-Y1506 VanDerWaalsContact C-N 3.29Å; V1504-Y1506 PolarHBondContact O-N 3.1Å; V1504-A1507 PolarHBondContact O-N 3.2Å; V1504-F1508 HydrophobicContact CG1-CD2 3.76Å; V1504-F1508 HydrophobicContact CG1-CE2 3.7Å; V1504-F1508 VanDerWaalsContact O-CD2 3.3Å; V1504-F1508 WeakPolarHBondContact O-CD2 3.41Å; V1504-F1508 PolarHBondContact O-N 3.2Å; V1504-Y1590 HydrophobicContact CB-CE1 4.41Å; V1504-Y1590 HydrophobicContact CG1-CD1 4.04Å; V1504-Y1590 HydrophobicContact CG1-CE1 3.36Å; V1504-Y1590 HydrophobicContact CG2-CE1 4.18Å; V1504-Y1590 WeakPolarHBondContact CG2-OH 3.33Å; V1504-V1653 HydrophobicContact CB-CG2 4.43Å; V1504-V1653 HydrophobicContact CG1-CB 4.46Å; V1504-V1653 HydrophobicContact CG1-CG1 3.74Å; V1504-V1653 HydrophobicContact CG1-CG2 3.79Å |
| 1505 | I | 87.4 | Confident | 85.6 | Confident | 31.4 Ų | 31.4 | 30.2 Ų | 30.2 | 16% | 0.161 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 174.5 | -70.9 | 167.6 | 0 | 0 | 0 | 110.5 | I1260 S1501 N1502 Q1503 F1508 S1509 A1649 Y1652 V1653 | I1260-I1505 HydrophobicContact CD1-CG2 3.88Å; I1260-I1505 HydrophobicContact CG1-CG2 4.14Å; S1501-I1505 WeakPolarHBondContact O-CB 3.46Å; S1501-I1505 WeakPolarHBondContact O-CD1 3.49Å; S1501-I1505 VanDerWaalsContact O-CG1 3.25Å; S1501-I1505 WeakPolarHBondContact O-CG1 3.38Å; S1501-I1505 PolarHBondContact O-N 3.09Å; N1502-I1505 PolarHBondContact O-N 3.09Å; Q1503-I1505 VanDerWaalsContact C-N 3.35Å; Q1503-I1505 PolarHBondContact O-N 3.21Å; I1505-F1508 PolarHBondContact O-N 3.14Å; I1505-S1509 WeakPolarHBondContact O-CB 3.3Å; I1505-S1509 PolarHBondContact O-N 3.26Å; I1505-A1649 HydrophobicContact CD1-CB 4.09Å; I1505-Y1652 HydrophobicContact CD1-CD1 3.96Å; I1505-Y1652 HydrophobicContact CG1-CD1 4.1Å; I1505-Y1652 HydrophobicContact CG2-CD1 4.2Å; I1505-Y1652 HydrophobicContact CG2-CE1 4.18Å; I1505-V1653 HydrophobicContact CD1-CG2 4.22Å; I1505-V1653 HydrophobicContact CG1-CG2 3.47Å; I1505-V1653 VanDerWaalsContact CG1-CG2 3.46Å |
| 1506 | Y | 88.9 | Confident | 85.8 | Confident | 43 Ų | 43 | 33.6 Ų | 33.6 | 17% | 0.169 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 176.6 | 171.7 | -91.7 | 0 | 0 | 0 | 112.3 | L1245 D1249 P1259 I1332 N1502 Q1503 V1504 F1508 S1509 R1510 | L1245-Y1506 WeakPolarHBondContact CB-OH 3.35Å; L1245-Y1506 HydrophobicContact CD1-CE1 4.16Å; L1245-Y1506 HydrophobicContact CD2-CE1 3.92Å; L1245-Y1506 HydrophobicContact CG-CE1 4.44Å; L1245-Y1506 PolarHBondContact O-OH 2.91Å; D1249-Y1506 VanDerWaalsContact CG-OH 3.26Å; D1249-Y1506 WeakPolarHBondContact OD1-CE2 3.29Å; D1249-Y1506 VanDerWaalsContact OD1-CZ 3.27Å; D1249-Y1506 PolarHBondContact OD1-OH 2.9Å; D1249-Y1506 PolarHBondContact OD2-OH 3.22Å; D1249-Y1506 VanDerWaalsContact OD2-OH 3.07Å; P1259-Y1506 HydrophobicContact CB-CD2 4.01Å; P1259-Y1506 HydrophobicContact CG-CD2 3.71Å; P1259-Y1506 HydrophobicContact CG-CE2 4.28Å; I1332-Y1506 HydrophobicContact CD1-CD1 4.29Å; I1332-Y1506 HydrophobicContact CD1-CE1 4.38Å; N1502-Y1506 VanDerWaalsContact O-CB 3.28Å; N1502-Y1506 WeakPolarHBondContact O-CB 3.33Å; N1502-Y1506 PolarHBondContact O-N 3.18Å; Q1503-Y1506 WeakPolarHBondContact O-CB 3.43Å; Q1503-Y1506 PolarHBondContact O-N 3.17Å; V1504-Y1506 VanDerWaalsContact C-N 3.29Å; V1504-Y1506 PolarHBondContact O-N 3.1Å; Y1506-F1508 VanDerWaalsContact C-N 3.33Å; Y1506-F1508 PolarHBondContact O-N 3.2Å; Y1506-S1509 WeakPolarHBondContact CA-OG 3.34Å; Y1506-S1509 WeakPolarHBondContact O-CA 3.33Å; Y1506-S1509 VanDerWaalsContact O-CB 3.28Å; Y1506-S1509 WeakPolarHBondContact O-CB 3.26Å; Y1506-S1509 PolarHBondContact O-N 3.03Å; Y1506-S1509 VanDerWaalsContact O-N 3.1Å; Y1506-S1509 PolarHBondContact O-OG 3.4Å; Y1506-R1510 HydrophobicContact CD1-CG 4.38Å; Y1506-R1510 HydrophobicContact CE1-CG 3.84Å; Y1506-R1510 HydrophobicContact CE2-CG 4.24Å; Y1506-R1510 WeakPolarHBondContact O-CG 3.38Å; Y1506-R1510 PolarHBondContact O-N 3.08Å; Y1506-R1510 WeakPolarHBondContact OH-CD 3.34Å |
| 1507 | A | 89.7 | Confident | 86.4 | Confident | 0.2 Ų | 0.2 | 33.2 Ų | 33.2 | 0% | 0.002 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1329 I1332 L1333 Q1503 V1504 R1510 L1511 | I1329-A1507 HydrophobicContact CG2-CB 4.07Å; I1332-A1507 HydrophobicContact CB-CB 3.98Å; I1332-A1507 HydrophobicContact CD1-CB 4.26Å; I1332-A1507 HydrophobicContact CG2-CB 3.75Å; L1333-A1507 HydrophobicContact CD2-CB 3.94Å; L1333-A1507 HydrophobicContact CG-CB 4.04Å; Q1503-A1507 WeakPolarHBondContact O-CB 3.29Å; Q1503-A1507 PolarHBondContact O-N 3.06Å; V1504-A1507 PolarHBondContact O-N 3.2Å; A1507-R1510 PolarHBondContact O-N 3.28Å; A1507-L1511 PolarHBondContact O-N 3.22Å; A1507-L1511 VanDerWaalsContact O-N 3.17Å |
| 1508 | F | 91 | Very high | 86.9 | Confident | 0.8 Ų | 0.8 | 29.9 Ų | 29.9 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 172.2 | -79 | -55.8 | 0 | 0 | 0 | 112.6 | L1333 V1504 I1505 Y1506 R1510 L1511 R1512 Y1590 V1653 T1656 A1657 I1660 | L1333-F1508 HydrophobicContact CD1-CE1 4.25Å; L1333-F1508 HydrophobicContact CD1-CZ 4.47Å; L1333-F1508 HydrophobicContact CD2-CD1 4.42Å; L1333-F1508 HydrophobicContact CD2-CD2 4.01Å; L1333-F1508 HydrophobicContact CD2-CE1 4.25Å; L1333-F1508 HydrophobicContact CD2-CE2 3.7Å; L1333-F1508 HydrophobicContact CD2-CG 4.41Å; L1333-F1508 HydrophobicContact CD2-CZ 3.85Å; V1504-F1508 HydrophobicContact CG1-CD2 3.76Å; V1504-F1508 HydrophobicContact CG1-CE2 3.7Å; V1504-F1508 VanDerWaalsContact O-CD2 3.3Å; V1504-F1508 WeakPolarHBondContact O-CD2 3.41Å; V1504-F1508 PolarHBondContact O-N 3.2Å; I1505-F1508 PolarHBondContact O-N 3.14Å; Y1506-F1508 VanDerWaalsContact C-N 3.33Å; Y1506-F1508 PolarHBondContact O-N 3.2Å; F1508-R1510 VanDerWaalsContact C-N 3.32Å; F1508-R1510 PolarHBondContact O-N 3.26Å; F1508-L1511 HydrophobicContact CD1-CD1 4.1Å; F1508-L1511 HydrophobicContact CE1-CD1 4.45Å; F1508-L1511 PolarHBondContact O-N 3.1Å; F1508-R1512 WeakPolarHBondContact O-CB 3.35Å; F1508-R1512 PolarHBondContact O-N 3.29Å; F1508-Y1590 HydrophobicContact CE2-CD1 4.01Å; F1508-Y1590 AromaticContact CE2-CD2 3.74Å; F1508-Y1590 HydrophobicContact CE2-CD2 3.74Å; F1508-Y1590 HydrophobicContact CE2-CE1 4.31Å; F1508-Y1590 AromaticContact CE2-CE2 3.98Å; F1508-Y1590 HydrophobicContact CE2-CE2 4.06Å; F1508-Y1590 AromaticContact CE2-CG 3.69Å; F1508-Y1590 HydrophobicContact CE2-CG 3.69Å; F1508-Y1590 HydrophobicContact CZ-CD1 4.48Å; F1508-Y1590 AromaticContact CZ-CD2 3.46Å; F1508-Y1590 HydrophobicContact CZ-CD2 3.46Å; F1508-Y1590 VanDerWaalsContact CZ-CD2 3.46Å; F1508-Y1590 AromaticContact CZ-CE2 3.96Å; F1508-Y1590 HydrophobicContact CZ-CE2 3.99Å; F1508-Y1590 AromaticContact CZ-CG 3.73Å; F1508-Y1590 HydrophobicContact CZ-CG 3.73Å; F1508-V1653 HydrophobicContact CD2-CG1 4.13Å; F1508-V1653 HydrophobicContact CE2-CG1 3.79Å; F1508-T1656 HydrophobicContact CB-CG2 3.91Å; F1508-A1657 HydrophobicContact CE1-CB 4.39Å; F1508-A1657 HydrophobicContact CE2-CB 4.46Å; F1508-A1657 HydrophobicContact CZ-CB 4.21Å; F1508-I1660 HydrophobicContact CB-CD1 3.68Å; F1508-I1660 HydrophobicContact CD1-CD1 3.5Å; F1508-I1660 HydrophobicContact CE1-CD1 4.37Å; F1508-I1660 HydrophobicContact CG-CD1 3.99Å; F1508-I1660 VanDerWaalsContact O-CD1 3.24Å; F1508-I1660 WeakPolarHBondContact O-CD1 3.43Å |
| 1509 | S | 88.4 | Confident | 87.6 | Confident | 16 Ų | 16 | 29.1 Ų | 29.1 | 11% | 0.112 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | I1505 Y1506 L1511 R1512 S1513 | I1505-S1509 WeakPolarHBondContact O-CB 3.3Å; I1505-S1509 PolarHBondContact O-N 3.26Å; Y1506-S1509 WeakPolarHBondContact CA-OG 3.34Å; Y1506-S1509 WeakPolarHBondContact O-CA 3.33Å; Y1506-S1509 VanDerWaalsContact O-CB 3.28Å; Y1506-S1509 WeakPolarHBondContact O-CB 3.26Å; Y1506-S1509 PolarHBondContact O-N 3.03Å; Y1506-S1509 VanDerWaalsContact O-N 3.1Å; Y1506-S1509 PolarHBondContact O-OG 3.4Å; S1509-L1511 VanDerWaalsContact C-N 3.34Å; S1509-L1511 PolarHBondContact O-N 3.15Å; S1509-R1512 WeakPolarHBondContact O-CB 3.36Å; S1509-R1512 PolarHBondContact O-N 3.25Å; S1509-S1513 PolarHBondContact O-N 3Å; S1509-S1513 PolarHBondContact O-OG 3.15Å; S1509-S1513 VanDerWaalsContact O-OG 3.07Å |
| 1510 | R | 89.7 | Confident | 87.8 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 175.2 | -62.6 | -53.1 | 101.9 | -134.9 | -5.2 | 111.8 | L1245 L1248 D1249 D1252 I1329 Y1506 A1507 F1508 R1512 S1513 I1514 | L1245-R1510 HydrophobicContact CD2-CG 4.48Å; L1248-R1510 VanDerWaalsContact CB-CD 3.44Å; L1248-R1510 HydrophobicContact CB-CG 4.29Å; L1248-R1510 HydrophobicContact CD1-CB 4.46Å; L1248-R1510 WeakPolarHBondContact O-CD 3.47Å; L1248-R1510 PolarHBondContact O-NE 3.5Å; L1248-R1510 PolarHBondContact O-NH1 2.99Å; L1248-R1510 VanDerWaalsContact O-NH1 3.16Å; D1249-R1510 VanDerWaalsContact OD1-CD 3.31Å; D1249-R1510 WeakPolarHBondContact OD1-CD 3.39Å; D1249-R1510 IonicContact OD1-CZ 3.23Å; D1249-R1510 IonicContact OD1-NE 2.99Å; D1249-R1510 PolarHBondContact OD1-NE 3.11Å; D1249-R1510 VanDerWaalsContact OD1-NE 3.17Å; D1249-R1510 IonicContact OD1-NH1 3.16Å; D1249-R1510 IonicContact OD1-NH2 2.7Å; D1249-R1510 PolarHBondContact OD1-NH2 3.39Å; D1252-R1510 VanDerWaalsContact CG-NH1 3.28Å; D1252-R1510 VanDerWaalsContact CG-NH2 3.31Å; D1252-R1510 IonicContact OD1-CZ 3.21Å; D1252-R1510 VanDerWaalsContact OD1-CZ 3.32Å; D1252-R1510 IonicContact OD1-NH1 2.88Å; D1252-R1510 PolarHBondContact OD1-NH1 3.17Å; D1252-R1510 IonicContact OD1-NH2 3.04Å; D1252-R1510 PolarHBondContact OD1-NH2 3.23Å; D1252-R1510 IonicContact OD2-CZ 3.45Å; D1252-R1510 IonicContact OD2-NH1 3.13Å; D1252-R1510 PolarHBondContact OD2-NH1 3.28Å; D1252-R1510 IonicContact OD2-NH2 3.15Å; D1252-R1510 PolarHBondContact OD2-NH2 3.25Å; I1329-R1510 HydrophobicContact CD1-CB 4.09Å; I1329-R1510 HydrophobicContact CG1-CB 4.49Å; Y1506-R1510 HydrophobicContact CD1-CG 4.38Å; Y1506-R1510 HydrophobicContact CE1-CG 3.84Å; Y1506-R1510 HydrophobicContact CE2-CG 4.24Å; Y1506-R1510 WeakPolarHBondContact O-CG 3.38Å; Y1506-R1510 PolarHBondContact O-N 3.08Å; Y1506-R1510 WeakPolarHBondContact OH-CD 3.34Å; A1507-R1510 PolarHBondContact O-N 3.28Å; F1508-R1510 VanDerWaalsContact C-N 3.32Å; F1508-R1510 PolarHBondContact O-N 3.26Å; R1510-R1512 VanDerWaalsContact C-N 3.32Å; R1510-R1512 PolarHBondContact O-N 3.4Å; R1510-S1513 PolarHBondContact NH1-OG 3.49Å; R1510-S1513 WeakPolarHBondContact O-CB 3.45Å; R1510-S1513 PolarHBondContact O-N 3.02Å; R1510-I1514 WeakPolarHBondContact O-CD1 3.45Å; R1510-I1514 VanDerWaalsContact O-CG1 3.27Å; R1510-I1514 WeakPolarHBondContact O-CG1 3.39Å; R1510-I1514 PolarHBondContact O-N 3.22Å |
| 1511 | L | 91.3 | Very high | 88.1 | Confident | 2.4 Ų | 2.4 | 28.6 Ų | 28.6 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.3 | -72.9 | 173.5 | 0 | 0 | 0 | 112.4 | I1326 I1329 L1333 A1507 F1508 S1509 S1513 I1514 L1515 F1522 I1583 I1660 | I1326-L1511 HydrophobicContact CD1-CD2 3.89Å; I1326-L1511 HydrophobicContact CG1-CD2 4.35Å; I1329-L1511 HydrophobicContact CD1-CD2 3.96Å; I1329-L1511 HydrophobicContact CD1-CG 4.23Å; I1329-L1511 HydrophobicContact CG2-CD1 3.88Å; I1329-L1511 HydrophobicContact CG2-CD2 4.06Å; I1329-L1511 HydrophobicContact CG2-CG 3.75Å; L1333-L1511 HydrophobicContact CD1-CD1 3.97Å; A1507-L1511 PolarHBondContact O-N 3.22Å; A1507-L1511 VanDerWaalsContact O-N 3.17Å; F1508-L1511 HydrophobicContact CD1-CD1 4.1Å; F1508-L1511 HydrophobicContact CE1-CD1 4.45Å; F1508-L1511 PolarHBondContact O-N 3.1Å; S1509-L1511 VanDerWaalsContact C-N 3.34Å; S1509-L1511 PolarHBondContact O-N 3.15Å; L1511-S1513 VanDerWaalsContact C-N 3.31Å; L1511-S1513 PolarHBondContact O-N 3.19Å; L1511-I1514 PolarHBondContact O-N 3.15Å; L1511-L1515 WeakPolarHBondContact O-CB 3.4Å; L1511-L1515 WeakPolarHBondContact O-CG 3.29Å; L1511-L1515 PolarHBondContact O-N 3.12Å; L1511-F1522 HydrophobicContact CD2-CE1 4.46Å; L1511-F1522 HydrophobicContact CD2-CZ 3.98Å; L1511-I1583 HydrophobicContact CD1-CD1 4.49Å; L1511-I1660 HydrophobicContact CB-CD1 4.31Å |
| 1512 | R | 90.1 | Very high | 88.5 | Confident | 77.2 Ų | 77.2 | 28.3 Ų | 28.3 | 29% | 0.291 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.7 | -176.4 | -171.9 | 179.4 | 150 | 8.3 | 111.6 | F1508 S1509 R1510 I1514 L1515 S1516 E1659 I1660 L1663 | F1508-R1512 WeakPolarHBondContact O-CB 3.35Å; F1508-R1512 PolarHBondContact O-N 3.29Å; S1509-R1512 WeakPolarHBondContact O-CB 3.36Å; S1509-R1512 PolarHBondContact O-N 3.25Å; R1510-R1512 VanDerWaalsContact C-N 3.32Å; R1510-R1512 PolarHBondContact O-N 3.4Å; R1512-I1514 VanDerWaalsContact C-N 3.33Å; R1512-I1514 PolarHBondContact O-N 3.38Å; R1512-L1515 CarbonylContact O-C 3.57Å; R1512-L1515 WeakPolarHBondContact O-CB 3.39Å; R1512-L1515 PolarHBondContact O-N 3.13Å; R1512-S1516 WeakPolarHBondContact O-CB 3.31Å; R1512-S1516 PolarHBondContact O-N 3.13Å; R1512-S1516 PolarHBondContact O-OG 3.14Å; R1512-E1659 IonicContact CZ-OE2 2.84Å; R1512-E1659 IonicContact NH1-OE2 2.99Å; R1512-E1659 PolarHBondContact NH1-OE2 3.3Å; R1512-E1659 IonicContact NH2-OE2 3.23Å; R1512-E1659 PolarHBondContact NH2-OE2 3.1Å; R1512-I1660 HydrophobicContact CB-CD1 4.29Å; R1512-I1660 HydrophobicContact CB-CG1 4.06Å; R1512-L1663 HydrophobicContact CG-CD1 4.25Å |
| 1513 | S | 87.4 | Confident | 88.7 | Confident | 10.2 Ų | 10.2 | 23.6 Ų | 23.6 | 7% | 0.071 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | -180 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | D1252 S1509 R1510 L1511 L1515 S1516 I1517 | D1252-S1513 VanDerWaalsContact OD1-CB 3.25Å; D1252-S1513 WeakPolarHBondContact OD1-CB 3.48Å; D1252-S1513 PolarHBondContact OD1-OG 3.22Å; S1509-S1513 PolarHBondContact O-N 3Å; S1509-S1513 PolarHBondContact O-OG 3.15Å; S1509-S1513 VanDerWaalsContact O-OG 3.07Å; R1510-S1513 PolarHBondContact NH1-OG 3.49Å; R1510-S1513 WeakPolarHBondContact O-CB 3.45Å; R1510-S1513 PolarHBondContact O-N 3.02Å; L1511-S1513 VanDerWaalsContact C-N 3.31Å; L1511-S1513 PolarHBondContact O-N 3.19Å; S1513-L1515 VanDerWaalsContact C-N 3.35Å; S1513-L1515 PolarHBondContact O-N 3.25Å; S1513-S1516 WeakPolarHBondContact CA-OG 3.26Å; S1513-S1516 PolarHBondContact O-N 3.33Å; S1513-S1516 PolarHBondContact O-OG 3.17Å; S1513-I1517 WeakPolarHBondContact O-CD1 3.46Å; S1513-I1517 WeakPolarHBondContact O-CG1 3.44Å; S1513-I1517 PolarHBondContact O-N 3.31Å |
| 1514 | I | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 173.2 | -64.4 | 157.6 | 0 | 0 | 0 | 111 | L1248 L1251 L1313 L1325 I1329 R1510 L1511 R1512 S1516 I1517 A1518 F1522 | L1248-I1514 HydrophobicContact CD1-CD1 4.37Å; L1248-I1514 HydrophobicContact CD2-CD1 3.88Å; L1248-I1514 HydrophobicContact CD2-CG1 3.88Å; L1251-I1514 HydrophobicContact CD1-CG1 4.26Å; L1313-I1514 HydrophobicContact CD1-CG1 4.28Å; L1313-I1514 HydrophobicContact CD1-CG2 4.06Å; L1313-I1514 HydrophobicContact CD2-CG1 4.38Å; L1313-I1514 HydrophobicContact CD2-CG2 4.29Å; L1325-I1514 HydrophobicContact CD2-CD1 3.76Å; I1329-I1514 HydrophobicContact CD1-CD1 4.02Å; R1510-I1514 WeakPolarHBondContact O-CD1 3.45Å; R1510-I1514 VanDerWaalsContact O-CG1 3.27Å; R1510-I1514 WeakPolarHBondContact O-CG1 3.39Å; R1510-I1514 PolarHBondContact O-N 3.22Å; L1511-I1514 PolarHBondContact O-N 3.15Å; R1512-I1514 VanDerWaalsContact C-N 3.33Å; R1512-I1514 PolarHBondContact O-N 3.38Å; I1514-S1516 VanDerWaalsContact C-N 3.29Å; I1514-S1516 PolarHBondContact O-N 3.16Å; I1514-I1517 PolarHBondContact O-N 3.16Å; I1514-A1518 PolarHBondContact O-N 3.13Å; I1514-A1518 VanDerWaalsContact O-N 3.08Å; I1514-F1522 HydrophobicContact CB-CE2 4.45Å; I1514-F1522 HydrophobicContact CG2-CB 4.27Å; I1514-F1522 HydrophobicContact CG2-CD1 4.23Å; I1514-F1522 HydrophobicContact CG2-CD2 3.32Å; I1514-F1522 HydrophobicContact CG2-CE1 4.39Å; I1514-F1522 HydrophobicContact CG2-CE2 3.52Å; I1514-F1522 VanDerWaalsContact CG2-CE2 3.49Å; I1514-F1522 HydrophobicContact CG2-CG 3.7Å; I1514-F1522 HydrophobicContact CG2-CZ 4.06Å |
| 1515 | L | 89 | Confident | 88.5 | Confident | 3.2 Ų | 3.2 | 25.1 Ų | 25.1 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -33.9 | 176.2 | -82.5 | 162.9 | 0 | 0 | 0 | 112.9 | L1511 R1512 S1513 I1517 P1519 F1522 V1523 I1660 L1663 I1664 | L1511-L1515 WeakPolarHBondContact O-CB 3.4Å; L1511-L1515 WeakPolarHBondContact O-CG 3.29Å; L1511-L1515 PolarHBondContact O-N 3.12Å; R1512-L1515 CarbonylContact O-C 3.57Å; R1512-L1515 WeakPolarHBondContact O-CB 3.39Å; R1512-L1515 PolarHBondContact O-N 3.13Å; S1513-L1515 VanDerWaalsContact C-N 3.35Å; S1513-L1515 PolarHBondContact O-N 3.25Å; L1515-I1517 VanDerWaalsContact C-N 3.31Å; L1515-I1517 PolarHBondContact O-N 3.22Å; L1515-P1519 WeakPolarHBondContact O-CA 3.39Å; L1515-P1519 VanDerWaalsContact O-CB 3.25Å; L1515-P1519 WeakPolarHBondContact O-CB 3.18Å; L1515-P1519 VanDerWaalsContact O-CD 3.24Å; L1515-P1519 WeakPolarHBondContact O-CD 3.33Å; L1515-P1519 VanDerWaalsContact O-CG 3.26Å; L1515-P1519 WeakPolarHBondContact O-CG 3.37Å; L1515-F1522 HydrophobicContact CD1-CE1 4.43Å; L1515-F1522 HydrophobicContact CD2-CD1 3.62Å; L1515-F1522 HydrophobicContact CD2-CE1 4.12Å; L1515-F1522 HydrophobicContact CG-CD1 3.83Å; L1515-F1522 HydrophobicContact CG-CE1 3.95Å; L1515-V1523 HydrophobicContact CD2-CG2 4.06Å; L1515-I1660 HydrophobicContact CD1-CG2 3.81Å; L1515-L1663 HydrophobicContact CB-CB 4.46Å; L1515-L1663 HydrophobicContact CB-CD1 4.17Å; L1515-L1663 HydrophobicContact CD1-CB 4.36Å; L1515-I1664 HydrophobicContact CD1-CD1 4.31Å; L1515-I1664 HydrophobicContact CD1-CG1 3.91Å; L1515-I1664 HydrophobicContact CD2-CG1 4.03Å |
| 1516 | S | 87 | Confident | 88.6 | Confident | 76.2 Ų | 76.2 | 23.6 Ų | 23.6 | 53% | 0.533 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -74.4 | -20.8 | 179.6 | 51 | 0 | 0 | 0 | 0 | 113.7 | R1512 S1513 I1514 | R1512-S1516 WeakPolarHBondContact O-CB 3.31Å; R1512-S1516 PolarHBondContact O-N 3.13Å; R1512-S1516 PolarHBondContact O-OG 3.14Å; S1513-S1516 WeakPolarHBondContact CA-OG 3.26Å; S1513-S1516 PolarHBondContact O-N 3.33Å; S1513-S1516 PolarHBondContact O-OG 3.17Å; I1514-S1516 VanDerWaalsContact C-N 3.29Å; I1514-S1516 PolarHBondContact O-N 3.16Å |
| 1517 | I | 86.4 | Confident | 88.4 | Confident | 41.8 Ų | 41.8 | 22.5 Ų | 22.5 | 21% | 0.214 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -97.3 | -49.2 | -176.2 | -68.7 | 167.1 | 0 | 0 | 0 | 111.6 | L1251 I1310 L1313 S1513 I1514 L1515 P1519 | L1251-I1517 HydrophobicContact CB-CD1 3.77Å; L1251-I1517 HydrophobicContact CD1-CD1 4.33Å; L1251-I1517 HydrophobicContact CD2-CD1 3.82Å; L1251-I1517 HydrophobicContact CG-CD1 4.17Å; I1310-I1517 HydrophobicContact CD1-CD1 4.28Å; I1310-I1517 HydrophobicContact CD1-CG2 4.28Å; I1310-I1517 HydrophobicContact CG1-CD1 4.21Å; I1310-I1517 HydrophobicContact CG1-CG2 4.08Å; I1310-I1517 HydrophobicContact CG2-CG2 4.06Å; L1313-I1517 HydrophobicContact CD2-CB 4.47Å; L1313-I1517 HydrophobicContact CD2-CG2 4.27Å; S1513-I1517 WeakPolarHBondContact O-CD1 3.46Å; S1513-I1517 WeakPolarHBondContact O-CG1 3.44Å; S1513-I1517 PolarHBondContact O-N 3.31Å; I1514-I1517 PolarHBondContact O-N 3.16Å; L1515-I1517 VanDerWaalsContact C-N 3.31Å; L1515-I1517 PolarHBondContact O-N 3.22Å; I1517-P1519 VanDerWaalsContact C-CD 3.48Å; I1517-P1519 WeakPolarHBondContact O-CD 3.11Å |
| 1518 | A | 86.9 | Confident | 88.1 | Confident | 6.6 Ų | 6.6 | 26.7 Ų | 26.7 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -132.8 | 51.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1317 I1514 G1520 L1521 F1522 | L1317-A1518 HydrophobicContact CD1-CB 4.02Å; I1514-A1518 PolarHBondContact O-N 3.13Å; I1514-A1518 VanDerWaalsContact O-N 3.08Å; A1518-G1520 PolarHBondContact O-N 3.22Å; A1518-L1521 HydrophobicContact CB-CB 4.43Å; A1518-L1521 PolarHBondContact O-N 3.07Å; A1518-L1521 VanDerWaalsContact O-N 3.09Å; A1518-F1522 VanDerWaalsContact O-CB 3.28Å; A1518-F1522 WeakPolarHBondContact O-CB 3.36Å; A1518-F1522 PolarHBondContact O-N 3Å |
| 1519 | P | 88 | Confident | 87.7 | Confident | 41.4 Ų | 41.4 | 27.3 Ų | 27.3 | 27% | 0.269 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.5 | -49.7 | -169.3 | 18.7 | -28 | 0 | 0 | 0 | 112.4 | L1515 I1517 L1521 F1522 V1523 Q1667 | L1515-P1519 WeakPolarHBondContact O-CA 3.39Å; L1515-P1519 VanDerWaalsContact O-CB 3.25Å; L1515-P1519 WeakPolarHBondContact O-CB 3.18Å; L1515-P1519 VanDerWaalsContact O-CD 3.24Å; L1515-P1519 WeakPolarHBondContact O-CD 3.33Å; L1515-P1519 VanDerWaalsContact O-CG 3.26Å; L1515-P1519 WeakPolarHBondContact O-CG 3.37Å; I1517-P1519 VanDerWaalsContact C-CD 3.48Å; I1517-P1519 WeakPolarHBondContact O-CD 3.11Å; P1519-L1521 VanDerWaalsContact C-N 3.34Å; P1519-L1521 PolarHBondContact O-N 3.37Å; P1519-F1522 PolarHBondContact O-N 3.14Å; P1519-F1522 VanDerWaalsContact O-N 3.16Å; P1519-V1523 WeakPolarHBondContact O-CG2 3.44Å; P1519-V1523 PolarHBondContact O-N 3.32Å; P1519-Q1667 HydrophobicContact CB-CB 4.38Å; P1519-Q1667 VanDerWaalsContact CB-CD 3.49Å; P1519-Q1667 HydrophobicContact CB-CG 4.06Å |
| 1520 | G | 86.8 | Confident | 87.4 | Confident | 13.8 Ų | 13.8 | 30.3 Ų | 30.3 | 14% | 0.142 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.8 | -29.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1518 R1524 Q1667 | A1518-G1520 PolarHBondContact O-N 3.22Å; G1520-R1524 VanDerWaalsContact C-NH1 3.3Å; G1520-R1524 VanDerWaalsContact CA-NH1 3.29Å; G1520-R1524 WeakPolarHBondContact O-CB 3.41Å; G1520-R1524 VanDerWaalsContact O-CD 3.29Å; G1520-R1524 WeakPolarHBondContact O-CD 3.31Å; G1520-R1524 VanDerWaalsContact O-CG 3.22Å; G1520-R1524 WeakPolarHBondContact O-CG 3.4Å; G1520-R1524 PolarHBondContact O-N 3.3Å; G1520-R1524 PolarHBondContact O-NH1 3.28Å; G1520-Q1667 VanDerWaalsContact CA-NE2 3.29Å |
| 1521 | L | 87.7 | Confident | 86.9 | Confident | 55.4 Ų | 55.4 | 30.2 Ų | 30.2 | 29% | 0.29 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -78.9 | -41.6 | 172.7 | -69.8 | 175.7 | 0 | 0 | 0 | 110.8 | E1314 L1317 R1318 A1518 P1519 R1524 S1525 | E1314-L1521 HydrophobicContact CB-CD1 4.34Å; E1314-L1521 HydrophobicContact CG-CD1 4.19Å; L1317-L1521 HydrophobicContact CB-CB 4.38Å; L1317-L1521 HydrophobicContact CD1-CB 4.22Å; R1318-L1521 HydrophobicContact CG-CD1 4.23Å; R1318-L1521 HydrophobicContact CG-CD2 4.39Å; A1518-L1521 HydrophobicContact CB-CB 4.43Å; A1518-L1521 PolarHBondContact O-N 3.07Å; A1518-L1521 VanDerWaalsContact O-N 3.09Å; P1519-L1521 VanDerWaalsContact C-N 3.34Å; P1519-L1521 PolarHBondContact O-N 3.37Å; L1521-R1524 PolarHBondContact O-N 3.23Å; L1521-S1525 VanDerWaalsContact O-CB 3.25Å; L1521-S1525 WeakPolarHBondContact O-CB 3.39Å; L1521-S1525 PolarHBondContact O-N 3.06Å; L1521-S1525 PolarHBondContact O-OG 3.34Å |
| 1522 | F | 91.2 | Very high | 86.1 | Confident | 0.8 Ų | 0.8 | 34.6 Ų | 34.6 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -51.5 | -178 | -175.6 | -113.1 | 0 | 0 | 0 | 112.2 | L1317 I1322 I1326 L1511 I1514 L1515 A1518 P1519 R1524 S1525 L1526 | L1317-F1522 HydrophobicContact CD1-CB 4.13Å; L1317-F1522 HydrophobicContact CD1-CD2 4.38Å; L1317-F1522 HydrophobicContact CD2-CD2 3.9Å; I1322-F1522 HydrophobicContact CD1-CD2 3.76Å; I1322-F1522 HydrophobicContact CD1-CE2 3.71Å; I1322-F1522 HydrophobicContact CD1-CZ 4.5Å; I1322-F1522 HydrophobicContact CG1-CE2 4.38Å; I1326-F1522 HydrophobicContact CD1-CE2 3.79Å; I1326-F1522 HydrophobicContact CD1-CZ 3.92Å; I1326-F1522 HydrophobicContact CG1-CE2 4.37Å; L1511-F1522 HydrophobicContact CD2-CE1 4.46Å; L1511-F1522 HydrophobicContact CD2-CZ 3.98Å; I1514-F1522 HydrophobicContact CB-CE2 4.45Å; I1514-F1522 HydrophobicContact CG2-CB 4.27Å; I1514-F1522 HydrophobicContact CG2-CD1 4.23Å; I1514-F1522 HydrophobicContact CG2-CD2 3.32Å; I1514-F1522 HydrophobicContact CG2-CE1 4.39Å; I1514-F1522 HydrophobicContact CG2-CE2 3.52Å; I1514-F1522 VanDerWaalsContact CG2-CE2 3.49Å; I1514-F1522 HydrophobicContact CG2-CG 3.7Å; I1514-F1522 HydrophobicContact CG2-CZ 4.06Å; L1515-F1522 HydrophobicContact CD1-CE1 4.43Å; L1515-F1522 HydrophobicContact CD2-CD1 3.62Å; L1515-F1522 HydrophobicContact CD2-CE1 4.12Å; L1515-F1522 HydrophobicContact CG-CD1 3.83Å; L1515-F1522 HydrophobicContact CG-CE1 3.95Å; A1518-F1522 VanDerWaalsContact O-CB 3.28Å; A1518-F1522 WeakPolarHBondContact O-CB 3.36Å; A1518-F1522 PolarHBondContact O-N 3Å; P1519-F1522 PolarHBondContact O-N 3.14Å; P1519-F1522 VanDerWaalsContact O-N 3.16Å; F1522-R1524 PolarHBondContact O-N 3.32Å; F1522-S1525 WeakPolarHBondContact CA-OG 3.43Å; F1522-S1525 CarbonylContact O-C 3.58Å; F1522-S1525 WeakPolarHBondContact O-CA 3.1Å; F1522-S1525 WeakPolarHBondContact O-CB 3.42Å; F1522-S1525 PolarHBondContact O-N 3.21Å; F1522-S1525 VanDerWaalsContact O-N 3.11Å; F1522-S1525 PolarHBondContact O-OG 3.41Å; F1522-L1526 HydrophobicContact CD1-CD1 3.87Å; F1522-L1526 HydrophobicContact CD1-CG 4.45Å; F1522-L1526 HydrophobicContact CE1-CD1 3.55Å; F1522-L1526 VanDerWaalsContact CE1-CD1 3.48Å; F1522-L1526 HydrophobicContact CE1-CG 4.28Å; F1522-L1526 HydrophobicContact CE2-CD1 4.41Å; F1522-L1526 HydrophobicContact CE2-CD2 4.42Å; F1522-L1526 HydrophobicContact CE2-CG 4.44Å; F1522-L1526 HydrophobicContact CG-CD1 4.49Å; F1522-L1526 HydrophobicContact CZ-CD1 3.96Å; F1522-L1526 HydrophobicContact CZ-CD2 4.35Å; F1522-L1526 HydrophobicContact CZ-CG 4.3Å; F1522-L1526 VanDerWaalsContact O-CG 3.32Å; F1522-L1526 WeakPolarHBondContact O-CG 3.28Å; F1522-L1526 PolarHBondContact O-N 3.03Å |
| 1523 | V | 89.3 | Confident | 85.2 | Confident | 0.6 Ų | 0.6 | 32.3 Ų | 32.3 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | -179.8 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | L1515 P1519 S1525 L1526 A1527 L1580 Q1667 L1668 I1671 | L1515-V1523 HydrophobicContact CD2-CG2 4.06Å; P1519-V1523 WeakPolarHBondContact O-CG2 3.44Å; P1519-V1523 PolarHBondContact O-N 3.32Å; V1523-S1525 VanDerWaalsContact C-N 3.3Å; V1523-S1525 PolarHBondContact O-N 3.2Å; V1523-L1526 PolarHBondContact O-N 3.03Å; V1523-A1527 VanDerWaalsContact O-CB 3.27Å; V1523-A1527 WeakPolarHBondContact O-CB 3.35Å; V1523-A1527 PolarHBondContact O-N 3.12Å; V1523-A1527 VanDerWaalsContact O-N 3.08Å; V1523-L1580 HydrophobicContact CG1-CD1 4.27Å; V1523-L1580 HydrophobicContact CG1-CD2 4.15Å; V1523-Q1667 HydrophobicContact CB-CB 4.41Å; V1523-Q1667 HydrophobicContact CB-CG 3.9Å; V1523-Q1667 HydrophobicContact CG1-CG 4.44Å; V1523-Q1667 HydrophobicContact CG2-CB 3.98Å; V1523-Q1667 HydrophobicContact CG2-CG 4Å; V1523-L1668 HydrophobicContact CG1-CD2 3.93Å; V1523-L1668 HydrophobicContact CG1-CG 4.34Å; V1523-I1671 HydrophobicContact CB-CD1 4.33Å; V1523-I1671 HydrophobicContact CG1-CD1 3.86Å |
| 1524 | R | 85.9 | Confident | 84.6 | Confident | 87.8 Ų | 87.8 | 31.9 Ų | 31.9 | 33% | 0.331 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 173.5 | -70.9 | 178.8 | -179 | 88 | -7.8 | 112.2 | G1520 L1521 F1522 A1527 S1528 I1671 E1674 | G1520-R1524 VanDerWaalsContact C-NH1 3.3Å; G1520-R1524 VanDerWaalsContact CA-NH1 3.29Å; G1520-R1524 WeakPolarHBondContact O-CB 3.41Å; G1520-R1524 VanDerWaalsContact O-CD 3.29Å; G1520-R1524 WeakPolarHBondContact O-CD 3.31Å; G1520-R1524 VanDerWaalsContact O-CG 3.22Å; G1520-R1524 WeakPolarHBondContact O-CG 3.4Å; G1520-R1524 PolarHBondContact O-N 3.3Å; G1520-R1524 PolarHBondContact O-NH1 3.28Å; L1521-R1524 PolarHBondContact O-N 3.23Å; F1522-R1524 PolarHBondContact O-N 3.32Å; R1524-A1527 PolarHBondContact O-N 3.15Å; R1524-S1528 WeakPolarHBondContact O-CB 3.37Å; R1524-S1528 PolarHBondContact O-N 3.15Å; R1524-S1528 VanDerWaalsContact O-N 3.09Å; R1524-S1528 PolarHBondContact O-OG 3.03Å; R1524-I1671 HydrophobicContact CG-CD1 3.95Å; R1524-I1671 HydrophobicContact CG-CG1 4.32Å; R1524-E1674 IonicContact CZ-OE1 3.19Å; R1524-E1674 IonicContact CZ-OE2 3.13Å; R1524-E1674 IonicContact NH2-OE1 3.36Å; R1524-E1674 PolarHBondContact NH2-OE1 3.16Å; R1524-E1674 IonicContact NH2-OE2 2.91Å; R1524-E1674 PolarHBondContact NH2-OE2 3.22Å |
| 1525 | S | 86.8 | Confident | 83.6 | Confident | 10.4 Ų | 10.4 | 33.4 Ų | 33.4 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68 | -42.7 | 176 | -45.2 | 0 | 0 | 0 | 0 | 111.8 | L1317 L1521 F1522 V1523 A1527 S1528 C1529 | L1317-S1525 PolarHBondContact O-OG 3.5Å; L1521-S1525 VanDerWaalsContact O-CB 3.25Å; L1521-S1525 WeakPolarHBondContact O-CB 3.39Å; L1521-S1525 PolarHBondContact O-N 3.06Å; L1521-S1525 PolarHBondContact O-OG 3.34Å; F1522-S1525 WeakPolarHBondContact CA-OG 3.43Å; F1522-S1525 CarbonylContact O-C 3.58Å; F1522-S1525 WeakPolarHBondContact O-CA 3.1Å; F1522-S1525 WeakPolarHBondContact O-CB 3.42Å; F1522-S1525 PolarHBondContact O-N 3.21Å; F1522-S1525 VanDerWaalsContact O-N 3.11Å; F1522-S1525 PolarHBondContact O-OG 3.41Å; V1523-S1525 VanDerWaalsContact C-N 3.3Å; V1523-S1525 PolarHBondContact O-N 3.2Å; S1525-A1527 VanDerWaalsContact C-N 3.34Å; S1525-A1527 PolarHBondContact O-N 3.09Å; S1525-S1528 WeakPolarHBondContact CA-OG 3.44Å; S1525-S1528 PolarHBondContact O-N 3.21Å; S1525-S1528 VanDerWaalsContact O-N 3.16Å; S1525-S1528 PolarHBondContact O-OG 3.09Å; S1525-C1529 VanDerWaalsContact O-CB 3.27Å; S1525-C1529 WeakPolarHBondContact O-CB 3.36Å; S1525-C1529 PolarHBondContact O-N 3.01Å; S1525-C1529 VanDerWaalsContact O-N 3.07Å |
| 1526 | L | 87.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.2 | -73.1 | 175.5 | 0 | 0 | 0 | 111.8 | I1322 I1326 F1522 V1523 S1528 C1529 L1579 L1580 I1583 | I1322-L1526 HydrophobicContact CD1-CB 4.42Å; I1322-L1526 HydrophobicContact CD1-CD2 3.69Å; I1322-L1526 VanDerWaalsContact CD1-CD2 3.5Å; I1322-L1526 HydrophobicContact CD1-CG 3.87Å; I1322-L1526 HydrophobicContact CG1-CD2 4.1Å; I1322-L1526 HydrophobicContact CG1-CG 4.37Å; I1326-L1526 HydrophobicContact CD1-CD2 3.53Å; I1326-L1526 VanDerWaalsContact CD1-CD2 3.43Å; I1326-L1526 HydrophobicContact CD1-CG 4.48Å; I1326-L1526 HydrophobicContact CG1-CD2 4.3Å; F1522-L1526 HydrophobicContact CD1-CD1 3.87Å; F1522-L1526 HydrophobicContact CD1-CG 4.45Å; F1522-L1526 HydrophobicContact CE1-CD1 3.55Å; F1522-L1526 VanDerWaalsContact CE1-CD1 3.48Å; F1522-L1526 HydrophobicContact CE1-CG 4.28Å; F1522-L1526 HydrophobicContact CE2-CD1 4.41Å; F1522-L1526 HydrophobicContact CE2-CD2 4.42Å; F1522-L1526 HydrophobicContact CE2-CG 4.44Å; F1522-L1526 HydrophobicContact CG-CD1 4.49Å; F1522-L1526 HydrophobicContact CZ-CD1 3.96Å; F1522-L1526 HydrophobicContact CZ-CD2 4.35Å; F1522-L1526 HydrophobicContact CZ-CG 4.3Å; F1522-L1526 VanDerWaalsContact O-CG 3.32Å; F1522-L1526 WeakPolarHBondContact O-CG 3.28Å; F1522-L1526 PolarHBondContact O-N 3.03Å; V1523-L1526 PolarHBondContact O-N 3.03Å; L1526-S1528 VanDerWaalsContact C-N 3.32Å; L1526-S1528 PolarHBondContact O-N 3.13Å; L1526-C1529 PolarHBondContact O-N 3.17Å; L1526-L1579 HydrophobicContact CD2-CB 4.17Å; L1526-L1579 HydrophobicContact CD2-CD2 3.79Å; L1526-L1579 HydrophobicContact CD2-CG 3.72Å; L1526-L1579 PolarHBondContact O-N 3.2Å; L1526-L1580 HydrophobicContact CB-CB 3.81Å; L1526-L1580 HydrophobicContact CB-CD1 4.2Å; L1526-L1580 HydrophobicContact CB-CG 4.48Å; L1526-L1580 HydrophobicContact CD1-CD1 3.86Å; L1526-L1580 PolarHBondContact O-N 3.13Å; L1526-I1583 HydrophobicContact CD1-CD1 3.86Å; L1526-I1583 HydrophobicContact CD2-CD1 3.44Å; L1526-I1583 VanDerWaalsContact CD2-CD1 3.49Å; L1526-I1583 HydrophobicContact CD2-CG1 4.23Å; L1526-I1583 HydrophobicContact CG-CD1 4.32Å |
| 1527 | A | 86 | Confident | 81.7 | Confident | 20.6 Ų | 20.6 | 34 Ų | 34 | 17% | 0.17 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -34.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1523 R1524 S1525 C1529 N1578 L1580 L1741 | V1523-A1527 VanDerWaalsContact O-CB 3.27Å; V1523-A1527 WeakPolarHBondContact O-CB 3.35Å; V1523-A1527 PolarHBondContact O-N 3.12Å; V1523-A1527 VanDerWaalsContact O-N 3.08Å; R1524-A1527 PolarHBondContact O-N 3.15Å; S1525-A1527 VanDerWaalsContact C-N 3.34Å; S1525-A1527 PolarHBondContact O-N 3.09Å; A1527-C1529 VanDerWaalsContact C-N 3.34Å; A1527-N1578 WeakPolarHBondContact O-CB 3.16Å; A1527-L1580 HydrophobicContact CB-CD2 4.28Å; A1527-L1741 HydrophobicContact CB-CD1 3.71Å; A1527-L1741 HydrophobicContact CB-CD2 3.95Å; A1527-L1741 HydrophobicContact CB-CG 4.44Å |
| 1528 | S | 82.3 | Confident | 81 | Confident | 87.8 Ų | 87.8 | 35.1 Ų | 35.1 | 61% | 0.614 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -79.9 | -19.2 | 177.6 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | R1524 S1525 L1526 T1530 | R1524-S1528 WeakPolarHBondContact O-CB 3.37Å; R1524-S1528 PolarHBondContact O-N 3.15Å; R1524-S1528 VanDerWaalsContact O-N 3.09Å; R1524-S1528 PolarHBondContact O-OG 3.03Å; S1525-S1528 WeakPolarHBondContact CA-OG 3.44Å; S1525-S1528 PolarHBondContact O-N 3.21Å; S1525-S1528 VanDerWaalsContact O-N 3.16Å; S1525-S1528 PolarHBondContact O-OG 3.09Å; L1526-S1528 VanDerWaalsContact C-N 3.32Å; L1526-S1528 PolarHBondContact O-N 3.13Å; S1528-T1530 PolarHBondContact O-N 3.22Å |
| 1529 | C | 83.2 | Confident | 80.3 | Confident | 14.2 Ų | 14.2 | 35.2 Ų | 35.2 | 10% | 0.096 | 20% | 0.204 | C | C | . | . | trans | -83.7 | 101.5 | -177.1 | -169.3 | 0 | 0 | 0 | 0 | 111 | I1322 S1525 L1526 A1527 S1533 N1578 L1579 | I1322-C1529 HydrophobicContact CG2-CB 3.7Å; S1525-C1529 VanDerWaalsContact O-CB 3.27Å; S1525-C1529 WeakPolarHBondContact O-CB 3.36Å; S1525-C1529 PolarHBondContact O-N 3.01Å; S1525-C1529 VanDerWaalsContact O-N 3.07Å; L1526-C1529 PolarHBondContact O-N 3.17Å; A1527-C1529 VanDerWaalsContact C-N 3.34Å; C1529-S1533 PolarHBondContact SG-OG 3.03Å; C1529-S1533 VanDerWaalsContact SG-OG 3.35Å; C1529-N1578 CarbonylContact O-C 3.53Å; C1529-N1578 VanDerWaalsContact O-CA 3.31Å; C1529-N1578 WeakPolarHBondContact O-CA 3.38Å; C1529-L1579 HydrophobicContact CB-CB 4.07Å; C1529-L1579 HydrophobicContact CB-CD2 4.27Å; C1529-L1579 PolarHBondContact O-N 3.19Å | ||
| 1530 | T | 82 | Confident | 79.5 | Confident | 79.6 Ų | 79.6 | 37.6 Ų | 37.6 | 49% | 0.488 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -66.8 | 143.7 | 172.5 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | S1528 N1532 S1533 | S1528-T1530 PolarHBondContact O-N 3.22Å; T1530-N1532 PolarHBondContact O-N 3.17Å; T1530-N1532 VanDerWaalsContact O-N 3.13Å; T1530-S1533 WeakPolarHBondContact O-CB 3.46Å; T1530-S1533 PolarHBondContact O-N 3.25Å; T1530-S1533 VanDerWaalsContact O-N 3.1Å; T1530-S1533 PolarHBondContact O-OG 3.27Å; T1530-S1533 VanDerWaalsContact O-OG 3.14Å |
| 1531 | M | 78.5 | Confident | 78.5 | Confident | 4.6 Ų | 4.6 | 40.3 Ų | 40.3 | 2% | 0.023 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -57.8 | -23.6 | -178.7 | -70.5 | -71.5 | -93.3 | 0 | 0 | 114.2 | S1533 M1534 F1535 F1544 L1548 Y1576 N1578 L1579 L1582 | M1531-S1533 PolarHBondContact O-N 3.1Å; M1531-S1533 VanDerWaalsContact O-N 3.14Å; M1531-M1534 PolarHBondContact O-N 3.01Å; M1531-F1535 HydrophobicContact CB-CE1 3.86Å; M1531-F1535 HydrophobicContact CB-CE2 4.2Å; M1531-F1535 HydrophobicContact CB-CZ 3.58Å; M1531-F1535 VanDerWaalsContact CB-CZ 3.49Å; M1531-F1535 HydrophobicContact CE-CE1 4.32Å; M1531-F1535 VanDerWaalsContact O-CD1 3.27Å; M1531-F1535 WeakPolarHBondContact O-CD1 3.27Å; M1531-F1535 VanDerWaalsContact O-CE1 3.29Å; M1531-F1535 WeakPolarHBondContact O-CE1 3.46Å; M1531-F1535 WeakPolarHBondContact O-CG 3.25Å; M1531-F1535 PolarHBondContact O-N 3.02Å; M1531-F1544 HydrophobicContact CE-CE1 3.95Å; M1531-F1544 HydrophobicContact CE-CZ 4.4Å; M1531-F1544 HydrophobicContact SD-CE1 4.26Å; M1531-L1548 HydrophobicContact CE-CD2 3.64Å; M1531-Y1576 HydrophobicContact CE-CD2 4.09Å; M1531-Y1576 HydrophobicContact CE-CG 4.16Å; M1531-Y1576 WeakPolarHBondContact CG-O 3.39Å; M1531-N1578 WeakPolarHBondContact CE-O 3.43Å; M1531-L1579 HydrophobicContact CE-CB 4.17Å; M1531-L1579 HydrophobicContact CE-CD1 3.83Å; M1531-L1579 HydrophobicContact SD-CD1 4.25Å; M1531-L1582 HydrophobicContact CE-CB 4.09Å; M1531-L1582 HydrophobicContact CE-CD1 4.16Å; M1531-L1582 HydrophobicContact CE-CD2 4.03Å; M1531-L1582 HydrophobicContact CE-CG 4.36Å; M1531-L1582 HydrophobicContact SD-CB 4.26Å; M1531-L1582 HydrophobicContact SD-CD2 4.36Å |
| 1532 | N | 75.1 | Confident | 77.9 | Confident | 95.2 Ų | 95.2 | 39.2 Ų | 39.2 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -53.5 | -31.5 | 176.7 | -70.9 | -6.3 | 0 | 0 | 0 | 114.2 | T1530 M1534 F1535 Q1573 | T1530-N1532 PolarHBondContact O-N 3.17Å; T1530-N1532 VanDerWaalsContact O-N 3.13Å; N1532-M1534 VanDerWaalsContact C-N 3.31Å; N1532-M1534 PolarHBondContact O-N 3.17Å; N1532-F1535 VanDerWaalsContact OD1-CE2 3.32Å; N1532-F1535 WeakPolarHBondContact OD1-CE2 3.4Å; N1532-Q1573 PolarHBondContact OD1-NE2 2.94Å |
| 1533 | S | 70.4 | Confident | 77.5 | Confident | 28.2 Ų | 28.2 | 44.6 Ų | 44.6 | 20% | 0.197 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -66.6 | -34.6 | 176.8 | 100 | 0 | 0 | 0 | 0 | 112.2 | D1323 C1529 T1530 M1531 C1536 Y1537 | D1323-S1533 WeakPolarHBondContact OD2-CB 3.5Å; D1323-S1533 PolarHBondContact OD2-OG 3.16Å; C1529-S1533 PolarHBondContact SG-OG 3.03Å; C1529-S1533 VanDerWaalsContact SG-OG 3.35Å; T1530-S1533 WeakPolarHBondContact O-CB 3.46Å; T1530-S1533 PolarHBondContact O-N 3.25Å; T1530-S1533 VanDerWaalsContact O-N 3.1Å; T1530-S1533 PolarHBondContact O-OG 3.27Å; T1530-S1533 VanDerWaalsContact O-OG 3.14Å; M1531-S1533 PolarHBondContact O-N 3.1Å; M1531-S1533 VanDerWaalsContact O-N 3.14Å; S1533-C1536 PolarHBondContact O-SG 2.79Å; S1533-C1536 VanDerWaalsContact O-SG 3.32Å; S1533-Y1537 VanDerWaalsContact O-CE2 3.28Å; S1533-Y1537 WeakPolarHBondContact O-CE2 3.39Å |
| 1534 | M | 75.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -80.9 | -21.5 | -174.3 | -63.4 | -96.2 | 57 | 0 | 0 | 113 | D1323 I1326 A1327 L1330 M1531 N1532 C1536 Y1537 F1544 L1579 | D1323-M1534 HydrophobicContact CB-CE 3.99Å; D1323-M1534 HydrophobicContact CB-CG 4.08Å; D1323-M1534 HydrophobicContact CB-SD 4.28Å; D1323-M1534 VanDerWaalsContact O-CE 3.25Å; D1323-M1534 WeakPolarHBondContact O-CE 3.4Å; I1326-M1534 HydrophobicContact CG2-SD 3.99Å; A1327-M1534 HydrophobicContact CB-CE 4.25Å; L1330-M1534 HydrophobicContact CD1-SD 4.05Å; M1531-M1534 PolarHBondContact O-N 3.01Å; N1532-M1534 VanDerWaalsContact C-N 3.31Å; N1532-M1534 PolarHBondContact O-N 3.17Å; M1534-C1536 PolarHBondContact O-N 2.97Å; M1534-C1536 VanDerWaalsContact O-N 3.13Å; M1534-Y1537 HydrophobicContact CE-CD1 4.36Å; M1534-Y1537 HydrophobicContact CE-CD2 3.44Å; M1534-Y1537 VanDerWaalsContact CE-CD2 3.47Å; M1534-Y1537 HydrophobicContact CE-CE1 4.37Å; M1534-Y1537 HydrophobicContact CE-CE2 3.47Å; M1534-Y1537 VanDerWaalsContact CE-CE2 3.49Å; M1534-Y1537 HydrophobicContact CE-CG 4.03Å; M1534-Y1537 WeakPolarHBondContact O-CD2 3.3Å; M1534-Y1537 PolarHBondContact O-N 3.19Å; M1534-Y1537 VanDerWaalsContact O-N 3.11Å; M1534-F1544 HydrophobicContact CB-CD1 3.58Å; M1534-F1544 HydrophobicContact CB-CE1 3.63Å; M1534-F1544 VanDerWaalsContact CB-CE1 3.49Å; M1534-F1544 HydrophobicContact CB-CG 4.23Å; M1534-F1544 HydrophobicContact CB-CZ 4.32Å; M1534-F1544 HydrophobicContact CG-CE1 4.4Å; M1534-F1544 VanDerWaalsContact O-CB 3.25Å; M1534-F1544 WeakPolarHBondContact O-CB 3.33Å; M1534-F1544 WeakPolarHBondContact O-CD1 3.29Å; M1534-L1579 HydrophobicContact CG-CD1 4.42Å; M1534-L1579 HydrophobicContact SD-CD1 4.3Å; M1534-L1579 HydrophobicContact SD-CD2 4.31Å |
| 1535 | F | 70.3 | Confident | 77.2 | Confident | 30.4 Ų | 30.4 | 41.2 Ų | 41.2 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -66.8 | -16 | -175.9 | -58 | -26.1 | 0 | 0 | 0 | 114.7 | M1531 N1532 Y1537 F1544 I1545 Q1573 | M1531-F1535 HydrophobicContact CB-CE1 3.86Å; M1531-F1535 HydrophobicContact CB-CE2 4.2Å; M1531-F1535 HydrophobicContact CB-CZ 3.58Å; M1531-F1535 VanDerWaalsContact CB-CZ 3.49Å; M1531-F1535 HydrophobicContact CE-CE1 4.32Å; M1531-F1535 VanDerWaalsContact O-CD1 3.27Å; M1531-F1535 WeakPolarHBondContact O-CD1 3.27Å; M1531-F1535 VanDerWaalsContact O-CE1 3.29Å; M1531-F1535 WeakPolarHBondContact O-CE1 3.46Å; M1531-F1535 WeakPolarHBondContact O-CG 3.25Å; M1531-F1535 PolarHBondContact O-N 3.02Å; N1532-F1535 VanDerWaalsContact OD1-CE2 3.32Å; N1532-F1535 WeakPolarHBondContact OD1-CE2 3.4Å; F1535-Y1537 VanDerWaalsContact C-N 3.3Å; F1535-Y1537 PolarHBondContact O-N 3.39Å; F1535-F1544 AromaticContact CD1-CD1 3.99Å; F1535-F1544 HydrophobicContact CD1-CD1 4.08Å; F1535-F1544 HydrophobicContact CD1-CE1 4.49Å; F1535-F1544 HydrophobicContact CE1-CD1 4.47Å; F1535-I1545 HydrophobicContact CB-CB 4.28Å; F1535-I1545 HydrophobicContact CB-CG2 4.27Å; F1535-I1545 HydrophobicContact CD1-CB 3.68Å; F1535-I1545 HydrophobicContact CD1-CD1 4.18Å; F1535-I1545 HydrophobicContact CD1-CG1 4.24Å; F1535-I1545 HydrophobicContact CD2-CD1 4.37Å; F1535-I1545 HydrophobicContact CE1-CB 4.1Å; F1535-I1545 HydrophobicContact CE1-CD1 3.85Å; F1535-I1545 HydrophobicContact CE1-CG1 4.21Å; F1535-I1545 HydrophobicContact CE2-CD1 4.29Å; F1535-I1545 HydrophobicContact CG-CB 4.17Å; F1535-I1545 HydrophobicContact CG-CD1 4.3Å; F1535-I1545 HydrophobicContact CZ-CD1 4.07Å; F1535-Q1573 HydrophobicContact CE2-CB 4.29Å; F1535-Q1573 HydrophobicContact CE2-CG 3.77Å; F1535-Q1573 HydrophobicContact CZ-CB 4.18Å; F1535-Q1573 HydrophobicContact CZ-CG 4.01Å |
| 1536 | C | 64.2 | Low | 77.1 | Confident | 62.4 Ų | 62.4 | 42.7 Ų | 42.7 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -82.3 | -13.8 | 177.1 | -51.8 | 0 | 0 | 0 | 0 | 114.2 | Y1236 S1533 M1534 | Y1236-C1536 WeakPolarHBondContact CB-O 3.45Å; Y1236-C1536 HydrophobicContact CD1-CB 4Å; Y1236-C1536 HydrophobicContact CD2-CB 4.2Å; Y1236-C1536 HydrophobicContact CE1-CB 4.14Å; Y1236-C1536 HydrophobicContact CE2-CB 4.11Å; Y1236-C1536 HydrophobicContact CG-CB 4.11Å; S1533-C1536 PolarHBondContact O-SG 2.79Å; S1533-C1536 VanDerWaalsContact O-SG 3.32Å; M1534-C1536 PolarHBondContact O-N 2.97Å; M1534-C1536 VanDerWaalsContact O-N 3.13Å |
| 1537 | Y | 71.8 | Confident | 77 | Confident | 29.8 Ų | 29.8 | 42.7 Ų | 42.7 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | trans | -82.8 | 135 | -178.5 | -66.7 | -99 | 0 | 0 | 0 | 111 | Y1236 I1238 D1323 R1324 A1327 S1533 M1534 F1535 F1544 | Y1236-Y1537 WeakPolarHBondContact O-CD1 3.49Å; I1238-Y1537 HydrophobicContact CD1-CE1 4.48Å; D1323-Y1537 HydrophobicContact CB-CE2 4.45Å; D1323-Y1537 PolarHBondContact OD2-OH 3.09Å; R1324-Y1537 HydrophobicContact CG-CE1 4.34Å; R1324-Y1537 WeakPolarHBondContact CG-OH 3.39Å; A1327-Y1537 HydrophobicContact CB-CD1 4.21Å; A1327-Y1537 HydrophobicContact CB-CE1 4.27Å; S1533-Y1537 VanDerWaalsContact O-CE2 3.28Å; S1533-Y1537 WeakPolarHBondContact O-CE2 3.39Å; M1534-Y1537 HydrophobicContact CE-CD1 4.36Å; M1534-Y1537 HydrophobicContact CE-CD2 3.44Å; M1534-Y1537 VanDerWaalsContact CE-CD2 3.47Å; M1534-Y1537 HydrophobicContact CE-CE1 4.37Å; M1534-Y1537 HydrophobicContact CE-CE2 3.47Å; M1534-Y1537 VanDerWaalsContact CE-CE2 3.49Å; M1534-Y1537 HydrophobicContact CE-CG 4.03Å; M1534-Y1537 WeakPolarHBondContact O-CD2 3.3Å; M1534-Y1537 PolarHBondContact O-N 3.19Å; M1534-Y1537 VanDerWaalsContact O-N 3.11Å; F1535-Y1537 VanDerWaalsContact C-N 3.3Å; F1535-Y1537 PolarHBondContact O-N 3.39Å; Y1537-F1544 PolarHBondContact O-N 3.07Å | ||
| 1538 | N | 70.5 | Confident | 77 | Confident | 65.2 Ų | 65.2 | 41.9 Ų | 41.9 | 35% | 0.349 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120 | 171.2 | -56.8 | -59.5 | 0 | 0 | 0 | 109.8 | Y1236 D1237 L1542 K1543 | Y1236-N1538 PolarHBondContact O-ND2 2.87Å; D1237-N1538 WeakPolarHBondContact OD1-CB 3.32Å; D1237-N1538 PolarHBondContact OD1-N 3.26Å; D1237-N1538 PolarHBondContact OD1-ND2 2.76Å; D1237-N1538 VanDerWaalsContact OD2-CA 3.26Å; D1237-N1538 WeakPolarHBondContact OD2-CA 3.46Å; D1237-N1538 WeakPolarHBondContact OD2-CB 3.27Å; D1237-N1538 PolarHBondContact OD2-N 3.42Å; D1237-N1538 PolarHBondContact OD2-ND2 2.99Å; N1538-L1542 CarbonylContact C-O 3.55Å; N1538-L1542 VanDerWaalsContact CA-O 3.28Å; N1538-L1542 WeakPolarHBondContact CA-O 3.22Å; N1538-K1543 WeakPolarHBondContact OD1-CG 3.47Å |
| 1539 | L | 72.3 | Confident | 77.2 | Confident | 9.6 Ų | 9.6 | 37.8 Ų | 37.8 | 5% | 0.05 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.3 | 175.5 | -58.2 | -177.4 | 0 | 0 | 0 | 108.3 | Y1241 A1331 G1541 L1542 F1544 L1547 | Y1241-L1539 HydrophobicContact CE2-CD2 4.47Å; A1331-L1539 HydrophobicContact CB-CD1 4.23Å; A1331-L1539 HydrophobicContact CB-CD2 4.08Å; L1539-G1541 PolarHBondContact O-N 3.1Å; L1539-G1541 VanDerWaalsContact O-N 3.12Å; L1539-L1542 PolarHBondContact N-O 3.11Å; L1539-L1542 PolarHBondContact O-N 3.14Å; L1539-L1542 VanDerWaalsContact O-O 3.09Å; L1539-F1544 HydrophobicContact CD1-CD2 3.82Å; L1539-F1544 HydrophobicContact CD1-CE2 4.45Å; L1539-L1547 HydrophobicContact CB-CD2 4Å; L1539-L1547 HydrophobicContact CD1-CD2 4.32Å |
| 1540 | Y | 71.1 | Confident | 77.3 | Confident | 91.8 Ų | 91.8 | 38.5 Ų | 38.5 | 36% | 0.36 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29 | -177.2 | -48.8 | -73.1 | 0 | 0 | 0 | 114.5 | A1331 H1335 P1336 L1542 L1547 | A1331-Y1540 VanDerWaalsContact C-OH 3.25Å; A1331-Y1540 HydrophobicContact CB-CE2 4.19Å; A1331-Y1540 VanDerWaalsContact O-CE2 3.31Å; A1331-Y1540 WeakPolarHBondContact O-CE2 3.32Å; A1331-Y1540 PolarHBondContact O-OH 2.96Å; H1335-Y1540 HydrophobicContact CB-CE2 4.43Å; H1335-Y1540 AromaticContact CD2-CE1 3.7Å; H1335-Y1540 AromaticContact CD2-CZ 3.62Å; P1336-Y1540 HydrophobicContact CG-CD2 4.45Å; Y1540-L1542 VanDerWaalsContact C-N 3.28Å; Y1540-L1542 PolarHBondContact O-N 3.32Å; Y1540-L1547 HydrophobicContact CD2-CD2 4.34Å |
| 1541 | G | 66.4 | Low | 77.6 | Confident | 69.6 Ų | 69.6 | 35 Ų | 35 | 72% | 0.718 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 3.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | L1539 | L1539-G1541 PolarHBondContact O-N 3.1Å; L1539-G1541 VanDerWaalsContact O-N 3.12Å |
| 1542 | L | 75.6 | Confident | 77.8 | Confident | 32.6 Ų | 32.6 | 36.7 Ų | 36.7 | 17% | 0.171 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147 | 174.4 | -58.1 | 177.2 | 0 | 0 | 0 | 109.9 | N1538 L1539 Y1540 L1547 R1550 | N1538-L1542 CarbonylContact C-O 3.55Å; N1538-L1542 VanDerWaalsContact CA-O 3.28Å; N1538-L1542 WeakPolarHBondContact CA-O 3.22Å; L1539-L1542 PolarHBondContact N-O 3.11Å; L1539-L1542 PolarHBondContact O-N 3.14Å; L1539-L1542 VanDerWaalsContact O-O 3.09Å; Y1540-L1542 VanDerWaalsContact C-N 3.28Å; Y1540-L1542 PolarHBondContact O-N 3.32Å; L1542-L1547 HydrophobicContact CB-CB 4.5Å; L1542-L1547 HydrophobicContact CD1-CD1 4.31Å; L1542-R1550 VanDerWaalsContact CD2-NH2 3.3Å |
| 1543 | K | 81.7 | Confident | 78.1 | Confident | 113.6 Ų | 113.6 | 32.8 Ų | 32.8 | 49% | 0.494 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 143.5 | 170 | -69.3 | 179.6 | 180 | 178.3 | 0 | 109.6 | N1538 I1545 E1546 L1547 | N1538-K1543 WeakPolarHBondContact OD1-CG 3.47Å; K1543-I1545 VanDerWaalsContact C-N 3.28Å; K1543-I1545 HydrophobicContact CB-CG2 4.19Å; K1543-I1545 PolarHBondContact O-N 2.97Å; K1543-I1545 VanDerWaalsContact O-N 3.15Å; K1543-E1546 HydrophobicContact CB-CB 4.39Å; K1543-E1546 WeakPolarHBondContact O-CA 3.3Å; K1543-E1546 WeakPolarHBondContact O-CB 3.37Å; K1543-E1546 PolarHBondContact O-N 3.12Å; K1543-L1547 PolarHBondContact O-N 3.22Å; K1543-L1547 VanDerWaalsContact O-N 3.08Å |
| 1544 | F | 84.4 | Confident | 78.7 | Confident | 1.6 Ų | 1.6 | 31.5 Ų | 31.5 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -50.6 | -43.5 | -180 | 177.1 | -102.7 | 0 | 0 | 0 | 113.6 | L1330 L1334 M1531 M1534 F1535 Y1537 L1539 E1546 L1547 L1548 L1582 | L1330-F1544 HydrophobicContact CB-CE2 4.38Å; L1330-F1544 HydrophobicContact CD1-CE2 3.83Å; L1330-F1544 HydrophobicContact CD1-CZ 3.94Å; L1334-F1544 HydrophobicContact CD1-CD2 4.39Å; L1334-F1544 HydrophobicContact CD1-CE2 3.62Å; L1334-F1544 HydrophobicContact CD1-CZ 4.29Å; M1531-F1544 HydrophobicContact CE-CE1 3.95Å; M1531-F1544 HydrophobicContact CE-CZ 4.4Å; M1531-F1544 HydrophobicContact SD-CE1 4.26Å; M1534-F1544 HydrophobicContact CB-CD1 3.58Å; M1534-F1544 HydrophobicContact CB-CE1 3.63Å; M1534-F1544 VanDerWaalsContact CB-CE1 3.49Å; M1534-F1544 HydrophobicContact CB-CG 4.23Å; M1534-F1544 HydrophobicContact CB-CZ 4.32Å; M1534-F1544 HydrophobicContact CG-CE1 4.4Å; M1534-F1544 VanDerWaalsContact O-CB 3.25Å; M1534-F1544 WeakPolarHBondContact O-CB 3.33Å; M1534-F1544 WeakPolarHBondContact O-CD1 3.29Å; F1535-F1544 AromaticContact CD1-CD1 3.99Å; F1535-F1544 HydrophobicContact CD1-CD1 4.08Å; F1535-F1544 HydrophobicContact CD1-CE1 4.49Å; F1535-F1544 HydrophobicContact CE1-CD1 4.47Å; Y1537-F1544 PolarHBondContact O-N 3.07Å; L1539-F1544 HydrophobicContact CD1-CD2 3.82Å; L1539-F1544 HydrophobicContact CD1-CE2 4.45Å; F1544-E1546 VanDerWaalsContact C-N 3.3Å; F1544-E1546 PolarHBondContact O-N 3.24Å; F1544-L1547 PolarHBondContact O-N 3.12Å; F1544-L1548 HydrophobicContact CE1-CD2 4.36Å; F1544-L1548 WeakPolarHBondContact O-CB 3.39Å; F1544-L1548 PolarHBondContact O-N 3.35Å; F1544-L1582 HydrophobicContact CE1-CD2 4.39Å; F1544-L1582 HydrophobicContact CZ-CD2 3.7Å |
| 1545 | I | 84.8 | Confident | 78.9 | Confident | 15.4 Ų | 15.4 | 32 Ų | 32 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -36.3 | 176 | -172.7 | 98 | 0 | 0 | 0 | 112.7 | F1535 K1543 L1548 S1549 L1569 S1572 Q1573 | F1535-I1545 HydrophobicContact CB-CB 4.28Å; F1535-I1545 HydrophobicContact CB-CG2 4.27Å; F1535-I1545 HydrophobicContact CD1-CB 3.68Å; F1535-I1545 HydrophobicContact CD1-CD1 4.18Å; F1535-I1545 HydrophobicContact CD1-CG1 4.24Å; F1535-I1545 HydrophobicContact CD2-CD1 4.37Å; F1535-I1545 HydrophobicContact CE1-CB 4.1Å; F1535-I1545 HydrophobicContact CE1-CD1 3.85Å; F1535-I1545 HydrophobicContact CE1-CG1 4.21Å; F1535-I1545 HydrophobicContact CE2-CD1 4.29Å; F1535-I1545 HydrophobicContact CG-CB 4.17Å; F1535-I1545 HydrophobicContact CG-CD1 4.3Å; F1535-I1545 HydrophobicContact CZ-CD1 4.07Å; K1543-I1545 VanDerWaalsContact C-N 3.28Å; K1543-I1545 HydrophobicContact CB-CG2 4.19Å; K1543-I1545 PolarHBondContact O-N 2.97Å; K1543-I1545 VanDerWaalsContact O-N 3.15Å; I1545-L1548 PolarHBondContact O-N 3.45Å; I1545-S1549 WeakPolarHBondContact O-CB 3.35Å; I1545-S1549 PolarHBondContact O-N 3.22Å; I1545-S1549 PolarHBondContact O-OG 3.11Å; I1545-S1549 VanDerWaalsContact O-OG 3.05Å; I1545-L1569 HydrophobicContact CD1-CB 4.36Å; I1545-L1569 HydrophobicContact CG1-CB 4.46Å; I1545-L1569 HydrophobicContact CG1-CD2 3.94Å; I1545-L1569 HydrophobicContact CG1-CG 4.32Å; I1545-L1569 HydrophobicContact CG2-CD2 4.21Å; I1545-S1572 WeakPolarHBondContact CD1-OG 3.38Å; I1545-S1572 WeakPolarHBondContact CG1-OG 3.11Å; I1545-Q1573 HydrophobicContact CD1-CB 4.21Å |
| 1546 | E | 85.1 | Confident | 79.1 | Confident | 43.4 Ų | 43.4 | 31.2 Ų | 31.2 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.6 | -43.8 | 178.5 | -167.2 | -170.2 | 164.4 | 0 | 0 | 110.8 | K1543 F1544 L1548 S1549 R1550 A1564 L1569 | K1543-E1546 HydrophobicContact CB-CB 4.39Å; K1543-E1546 WeakPolarHBondContact O-CA 3.3Å; K1543-E1546 WeakPolarHBondContact O-CB 3.37Å; K1543-E1546 PolarHBondContact O-N 3.12Å; F1544-E1546 VanDerWaalsContact C-N 3.3Å; F1544-E1546 PolarHBondContact O-N 3.24Å; E1546-L1548 VanDerWaalsContact C-N 3.3Å; E1546-L1548 PolarHBondContact O-N 2.92Å; E1546-S1549 WeakPolarHBondContact CA-OG 3.41Å; E1546-S1549 PolarHBondContact O-N 3.05Å; E1546-S1549 VanDerWaalsContact O-N 3.16Å; E1546-S1549 PolarHBondContact O-OG 3.25Å; E1546-S1549 VanDerWaalsContact O-OG 3.09Å; E1546-R1550 WeakPolarHBondContact O-CB 3.45Å; E1546-R1550 VanDerWaalsContact O-CD 3.31Å; E1546-R1550 WeakPolarHBondContact O-CD 3.49Å; E1546-R1550 VanDerWaalsContact O-CG 3.28Å; E1546-R1550 WeakPolarHBondContact O-CG 3.29Å; E1546-R1550 PolarHBondContact O-N 3.3Å; E1546-R1550 IonicContact OE1-CZ 3.28Å; E1546-R1550 VanDerWaalsContact OE1-CZ 3.25Å; E1546-R1550 IonicContact OE1-NE 2.9Å; E1546-R1550 PolarHBondContact OE1-NE 3.37Å; E1546-R1550 VanDerWaalsContact OE1-NE 3.16Å; E1546-R1550 IonicContact OE1-NH2 3.29Å; E1546-R1550 PolarHBondContact OE1-NH2 3.18Å; E1546-A1564 HydrophobicContact CG-CB 4.01Å; E1546-L1569 HydrophobicContact CB-CD2 4.19Å; E1546-L1569 HydrophobicContact CG-CD2 4.47Å |
| 1547 | L | 86 | Confident | 79.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -43.9 | 174.3 | -176.7 | 62.1 | 0 | 0 | 0 | 111.2 | L1334 P1336 L1539 Y1540 L1542 K1543 F1544 R1550 H1551 F1560 | L1334-L1547 HydrophobicContact CB-CD2 3.89Å; L1334-L1547 HydrophobicContact CB-CG 4.28Å; P1336-L1547 HydrophobicContact CG-CD1 4.46Å; L1539-L1547 HydrophobicContact CB-CD2 4Å; L1539-L1547 HydrophobicContact CD1-CD2 4.32Å; Y1540-L1547 HydrophobicContact CD2-CD2 4.34Å; L1542-L1547 HydrophobicContact CB-CB 4.5Å; L1542-L1547 HydrophobicContact CD1-CD1 4.31Å; K1543-L1547 PolarHBondContact O-N 3.22Å; K1543-L1547 VanDerWaalsContact O-N 3.08Å; F1544-L1547 PolarHBondContact O-N 3.12Å; L1547-R1550 PolarHBondContact O-N 3.21Å; L1547-H1551 PolarHBondContact O-CD2 3.34Å; L1547-H1551 VanDerWaalsContact O-CD2 3.26Å; L1547-H1551 PolarHBondContact O-N 3.13Å; L1547-H1551 VanDerWaalsContact O-N 3.08Å; L1547-F1560 HydrophobicContact CD1-CZ 3.99Å |
| 1548 | L | 86.5 | Confident | 79.4 | Confident | 3.6 Ų | 3.6 | 29.6 Ų | 29.6 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.3 | -174.8 | 58.3 | 0 | 0 | 0 | 112.3 | M1531 F1544 I1545 E1546 R1550 H1551 R1552 Y1576 L1582 | M1531-L1548 HydrophobicContact CE-CD2 3.64Å; F1544-L1548 HydrophobicContact CE1-CD2 4.36Å; F1544-L1548 WeakPolarHBondContact O-CB 3.39Å; F1544-L1548 PolarHBondContact O-N 3.35Å; I1545-L1548 PolarHBondContact O-N 3.45Å; E1546-L1548 VanDerWaalsContact C-N 3.3Å; E1546-L1548 PolarHBondContact O-N 2.92Å; L1548-R1550 VanDerWaalsContact C-N 3.32Å; L1548-R1550 PolarHBondContact O-N 3.19Å; L1548-H1551 PolarHBondContact O-N 3.22Å; L1548-R1552 WeakPolarHBondContact O-CG 3.28Å; L1548-R1552 PolarHBondContact O-N 3.15Å; L1548-Y1576 HydrophobicContact CD1-CE2 3.91Å; L1548-Y1576 HydrophobicContact CD2-CD2 3.8Å; L1548-Y1576 HydrophobicContact CD2-CE2 3.73Å; L1548-Y1576 HydrophobicContact CG-CD2 4.44Å; L1548-Y1576 HydrophobicContact CG-CE2 4Å; L1548-L1582 HydrophobicContact CD1-CD1 3.63Å; L1548-L1582 HydrophobicContact CD2-CD1 4.14Å; L1548-L1582 HydrophobicContact CG-CD1 4.5Å |
| 1549 | S | 85.4 | Confident | 79.6 | Confident | 0.2 Ų | 0.2 | 29.2 Ų | 29.2 | 0% | 0.001 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 176 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | I1545 E1546 H1551 R1552 R1553 A1564 E1568 S1572 | I1545-S1549 WeakPolarHBondContact O-CB 3.35Å; I1545-S1549 PolarHBondContact O-N 3.22Å; I1545-S1549 PolarHBondContact O-OG 3.11Å; I1545-S1549 VanDerWaalsContact O-OG 3.05Å; E1546-S1549 WeakPolarHBondContact CA-OG 3.41Å; E1546-S1549 PolarHBondContact O-N 3.05Å; E1546-S1549 VanDerWaalsContact O-N 3.16Å; E1546-S1549 PolarHBondContact O-OG 3.25Å; E1546-S1549 VanDerWaalsContact O-OG 3.09Å; S1549-H1551 PolarHBondContact O-N 3.29Å; S1549-R1552 PolarHBondContact O-N 3.24Å; S1549-R1553 WeakPolarHBondContact O-CB 3.37Å; S1549-R1553 PolarHBondContact O-N 3.02Å; S1549-A1564 VanDerWaalsContact OG-CB 3.26Å; S1549-A1564 WeakPolarHBondContact OG-CB 3.38Å; S1549-E1568 PolarHBondContact OG-O 3.43Å; S1549-S1572 WeakPolarHBondContact CA-OG 3.39Å; S1549-S1572 VanDerWaalsContact CB-OG 3.28Å; S1549-S1572 WeakPolarHBondContact CB-OG 3.25Å; S1549-S1572 VanDerWaalsContact OG-CB 3.22Å; S1549-S1572 WeakPolarHBondContact OG-CB 3.35Å; S1549-S1572 PolarHBondContact OG-OG 3.23Å |
| 1550 | R | 85.9 | Confident | 80 | Confident | 29.6 Ų | 29.6 | 28.9 Ų | 28.9 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.7 | -70.6 | 169.5 | 178.9 | -124.4 | 7.8 | 112 | L1542 E1546 L1547 L1548 R1553 S1554 F1560 F1561 A1562 | L1542-R1550 VanDerWaalsContact CD2-NH2 3.3Å; E1546-R1550 WeakPolarHBondContact O-CB 3.45Å; E1546-R1550 VanDerWaalsContact O-CD 3.31Å; E1546-R1550 WeakPolarHBondContact O-CD 3.49Å; E1546-R1550 VanDerWaalsContact O-CG 3.28Å; E1546-R1550 WeakPolarHBondContact O-CG 3.29Å; E1546-R1550 PolarHBondContact O-N 3.3Å; E1546-R1550 IonicContact OE1-CZ 3.28Å; E1546-R1550 VanDerWaalsContact OE1-CZ 3.25Å; E1546-R1550 IonicContact OE1-NE 2.9Å; E1546-R1550 PolarHBondContact OE1-NE 3.37Å; E1546-R1550 VanDerWaalsContact OE1-NE 3.16Å; E1546-R1550 IonicContact OE1-NH2 3.29Å; E1546-R1550 PolarHBondContact OE1-NH2 3.18Å; L1547-R1550 PolarHBondContact O-N 3.21Å; L1548-R1550 VanDerWaalsContact C-N 3.32Å; L1548-R1550 PolarHBondContact O-N 3.19Å; R1550-R1553 PolarHBondContact O-N 3.13Å; R1550-S1554 WeakPolarHBondContact O-CB 3.4Å; R1550-S1554 PolarHBondContact O-N 3.05Å; R1550-F1560 VanDerWaalsContact C-CD2 3.48Å; R1550-F1560 HydrophobicContact CB-CD2 3.81Å; R1550-F1560 HydrophobicContact CB-CE1 4.46Å; R1550-F1560 HydrophobicContact CB-CE2 3.67Å; R1550-F1560 HydrophobicContact CB-CG 4.28Å; R1550-F1560 HydrophobicContact CB-CZ 4.03Å; R1550-F1560 WeakPolarHBondContact CB-O 3.33Å; R1550-F1560 WeakPolarHBondContact CD-O 3.47Å; R1550-F1560 VanDerWaalsContact CG-O 3.31Å; R1550-F1560 WeakPolarHBondContact CG-O 3.41Å; R1550-F1560 PolarHBondContact NH1-O 3.2Å; R1550-F1560 VanDerWaalsContact NH1-O 3.11Å; R1550-F1560 WeakPolarHBondContact O-CD2 3.41Å; R1550-F1561 VanDerWaalsContact NH1-C 3.27Å; R1550-F1561 PolarHBondContact NH1-O 2.99Å; R1550-A1562 PolarHBondContact NH1-O 3.13Å; R1550-A1562 VanDerWaalsContact NH1-O 3.13Å |
| 1551 | H | 87.4 | Confident | 80.4 | Confident | 6.2 Ų | 6.2 | 29.6 Ų | 29.6 | 3% | 0.029 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 172.4 | -84 | -69.7 | 0 | 0 | 0 | 111.8 | L1334 T1338 L1547 L1548 S1549 R1553 S1554 M1555 F1560 | L1334-H1551 PolarHBondContact O-NE2 3.11Å; T1338-H1551 PolarHBondContact OG1-CE1 2.71Å; L1547-H1551 PolarHBondContact O-CD2 3.34Å; L1547-H1551 VanDerWaalsContact O-CD2 3.26Å; L1547-H1551 PolarHBondContact O-N 3.13Å; L1547-H1551 VanDerWaalsContact O-N 3.08Å; L1548-H1551 PolarHBondContact O-N 3.22Å; S1549-H1551 PolarHBondContact O-N 3.29Å; H1551-R1553 PolarHBondContact O-N 3.22Å; H1551-S1554 WeakPolarHBondContact O-CB 3.32Å; H1551-S1554 PolarHBondContact O-N 3.02Å; H1551-S1554 PolarHBondContact O-OG 3.34Å; H1551-M1555 VanDerWaalsContact O-CG 3.26Å; H1551-M1555 WeakPolarHBondContact O-CG 3.33Å; H1551-M1555 PolarHBondContact O-N 3.02Å; H1551-M1555 VanDerWaalsContact O-N 3.17Å; H1551-F1560 HydrophobicContact CB-CE2 4.44Å; H1551-F1560 AromaticContact CD2-CE2 3.77Å; H1551-F1560 AromaticContact CE1-CE2 3.78Å; H1551-F1560 AromaticContact CG-CE2 3.75Å; H1551-F1560 AromaticContact ND1-CE2 3.76Å; H1551-F1560 AromaticContact NE2-CE2 3.78Å |
| 1552 | R | 84.4 | Confident | 80.9 | Confident | 40 Ų | 40 | 27.9 Ų | 27.9 | 15% | 0.151 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.1 | -70.6 | -173.9 | 69.9 | 103.2 | -0.5 | 112.8 | L1548 S1549 S1554 M1555 A1556 N1575 Y1576 S1866 F1869 | L1548-R1552 WeakPolarHBondContact O-CG 3.28Å; L1548-R1552 PolarHBondContact O-N 3.15Å; S1549-R1552 PolarHBondContact O-N 3.24Å; R1552-S1554 VanDerWaalsContact C-N 3.33Å; R1552-S1554 PolarHBondContact O-N 2.75Å; R1552-M1555 WeakPolarHBondContact O-CB 3.41Å; R1552-M1555 PolarHBondContact O-N 3.14Å; R1552-A1556 PolarHBondContact O-N 3.16Å; R1552-A1556 VanDerWaalsContact O-N 3.09Å; R1552-N1575 VanDerWaalsContact CZ-CG 3.45Å; R1552-N1575 PolarHBondContact NH2-ND2 3.26Å; R1552-N1575 PolarHBondContact NH2-OD1 3.1Å; R1552-Y1576 VanDerWaalsContact NH1-CZ 3.31Å; R1552-Y1576 PolarHBondContact NH1-OH 2.96Å; R1552-S1866 PolarHBondContact NH2-OG 3.12Å; R1552-F1869 HydrophobicContact CB-CE2 4.21Å; R1552-F1869 HydrophobicContact CB-CZ 4.43Å |
| 1553 | R | 81.4 | Confident | 81 | Confident | 13.4 Ų | 13.4 | 30 Ų | 30 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.5 | -169.9 | -168.9 | -41.2 | 111.7 | 9.7 | 111.9 | S1549 R1550 H1551 M1555 A1556 G1557 C1558 N1559 F1560 A1562 A1563 A1564 E1568 F1869 | S1549-R1553 WeakPolarHBondContact O-CB 3.37Å; S1549-R1553 PolarHBondContact O-N 3.02Å; R1550-R1553 PolarHBondContact O-N 3.13Å; H1551-R1553 PolarHBondContact O-N 3.22Å; R1553-M1555 VanDerWaalsContact C-N 3.32Å; R1553-M1555 PolarHBondContact O-N 3.26Å; R1553-A1556 CarbonylContact O-C 3.45Å; R1553-A1556 WeakPolarHBondContact O-CA 3.38Å; R1553-A1556 PolarHBondContact O-N 3.21Å; R1553-A1556 VanDerWaalsContact O-N 3.1Å; R1553-G1557 PolarHBondContact O-N 3.25Å; R1553-C1558 CarbonylContact C-O 3.52Å; R1553-C1558 HydrophobicContact CG-CB 3.43Å; R1553-C1558 WeakPolarHBondContact O-CB 3.22Å; R1553-C1558 PolarHBondContact O-N 3.15Å; R1553-N1559 WeakPolarHBondContact CD-O 3.41Å; R1553-N1559 PolarHBondContact NH1-O 3.18Å; R1553-N1559 VanDerWaalsContact NH1-O 3.12Å; R1553-F1560 PolarHBondContact NH1-O 3.01Å; R1553-A1562 PolarHBondContact NH1-O 3.06Å; R1553-A1562 PolarHBondContact NH2-O 3.3Å; R1553-A1563 PolarHBondContact NH2-O 2.82Å; R1553-A1564 VanDerWaalsContact NH2-CA 3.27Å; R1553-A1564 VanDerWaalsContact NH2-CB 3.29Å; R1553-E1568 VanDerWaalsContact CD-OE1 3.24Å; R1553-E1568 WeakPolarHBondContact CD-OE1 3.34Å; R1553-E1568 WeakPolarHBondContact CG-OE1 3.41Å; R1553-E1568 IonicContact CZ-OE1 2.97Å; R1553-E1568 IonicContact CZ-OE2 3.29Å; R1553-E1568 VanDerWaalsContact CZ-OE2 3.28Å; R1553-E1568 VanDerWaalsContact NE-CD 3.31Å; R1553-E1568 IonicContact NE-OE1 3.27Å; R1553-E1568 PolarHBondContact NE-OE1 3.04Å; R1553-E1568 IonicContact NE-OE2 3.22Å; R1553-E1568 PolarHBondContact NE-OE2 3.01Å; R1553-E1568 IonicContact NH2-OE1 3.55Å; R1553-E1568 IonicContact NH2-OE2 3.23Å; R1553-E1568 PolarHBondContact NH2-OE2 3.26Å; R1553-F1869 HydrophobicContact CB-CE1 4.1Å; R1553-F1869 HydrophobicContact CB-CZ 4.3Å; R1553-F1869 HydrophobicContact CG-CE1 4.14Å |
| 1554 | S | 81.9 | Confident | 80.7 | Confident | 0.2 Ų | 0.2 | 25.7 Ų | 25.7 | 0% | 0.001 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | R1340 I1341 L1496 R1550 H1551 R1552 A1556 G1557 C1558 | R1340-S1554 CarbonylContact O-C 3.52Å; R1340-S1554 VanDerWaalsContact O-CB 3.24Å; R1340-S1554 WeakPolarHBondContact O-CB 3.39Å; R1340-S1554 VanDerWaalsContact O-O 3.12Å; R1340-S1554 PolarHBondContact O-OG 2.86Å; I1341-S1554 WeakPolarHBondContact CA-O 3.38Å; I1341-S1554 WeakPolarHBondContact CG1-O 3.25Å; L1496-S1554 VanDerWaalsContact CD1-OG 3.28Å; L1496-S1554 WeakPolarHBondContact CD1-OG 3.4Å; R1550-S1554 WeakPolarHBondContact O-CB 3.4Å; R1550-S1554 PolarHBondContact O-N 3.05Å; H1551-S1554 WeakPolarHBondContact O-CB 3.32Å; H1551-S1554 PolarHBondContact O-N 3.02Å; H1551-S1554 PolarHBondContact O-OG 3.34Å; R1552-S1554 VanDerWaalsContact C-N 3.33Å; R1552-S1554 PolarHBondContact O-N 2.75Å; S1554-A1556 VanDerWaalsContact C-N 3.29Å; S1554-A1556 PolarHBondContact O-N 3.1Å; S1554-G1557 WeakPolarHBondContact O-CA 3.35Å; S1554-G1557 PolarHBondContact O-N 3.06Å; S1554-C1558 WeakPolarHBondContact CA-O 3.26Å |
| 1555 | M | 80.3 | Confident | 80.3 | Confident | 13.4 Ų | 13.4 | 28 Ų | 28 | 7% | 0.066 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -36.9 | 176.9 | -68.1 | -81.6 | -71.5 | 0 | 0 | 112.2 | R1340 S1342 S1345 L1493 H1551 R1552 R1553 G1557 Q1589 P1864 | R1340-M1555 HydrophobicContact CB-CG 4.4Å; R1340-M1555 HydrophobicContact CB-SD 3.8Å; R1340-M1555 VanDerWaalsContact CB-SD 3.54Å; R1340-M1555 PolarHBondContact O-N 3.16Å; R1340-M1555 VanDerWaalsContact O-N 3.09Å; S1342-M1555 VanDerWaalsContact CB-O 3.29Å; S1342-M1555 WeakPolarHBondContact CB-O 3.36Å; S1342-M1555 PolarHBondContact N-O 3.09Å; S1342-M1555 VanDerWaalsContact N-O 3.1Å; S1342-M1555 PolarHBondContact OG-O 3.09Å; S1345-M1555 WeakPolarHBondContact CB-O 3.15Å; S1345-M1555 PolarHBondContact OG-O 3.14Å; L1493-M1555 HydrophobicContact CD1-CE 3.59Å; L1493-M1555 VanDerWaalsContact CD1-CE 3.48Å; L1493-M1555 HydrophobicContact CD1-SD 3.83Å; L1493-M1555 HydrophobicContact CD2-CE 3.54Å; L1493-M1555 VanDerWaalsContact CD2-CE 3.42Å; L1493-M1555 HydrophobicContact CD2-SD 3.77Å; L1493-M1555 VanDerWaalsContact CD2-SD 3.59Å; L1493-M1555 HydrophobicContact CG-CE 4.21Å; L1493-M1555 HydrophobicContact CG-SD 4.36Å; H1551-M1555 VanDerWaalsContact O-CG 3.26Å; H1551-M1555 WeakPolarHBondContact O-CG 3.33Å; H1551-M1555 PolarHBondContact O-N 3.02Å; H1551-M1555 VanDerWaalsContact O-N 3.17Å; R1552-M1555 WeakPolarHBondContact O-CB 3.41Å; R1552-M1555 PolarHBondContact O-N 3.14Å; R1553-M1555 VanDerWaalsContact C-N 3.32Å; R1553-M1555 PolarHBondContact O-N 3.26Å; M1555-G1557 PolarHBondContact O-N 3.09Å; M1555-Q1589 HydrophobicContact CE-CG 3.87Å; M1555-Q1589 HydrophobicContact SD-CG 4.47Å; M1555-P1864 HydrophobicContact CE-CB 3.48Å; M1555-P1864 VanDerWaalsContact CE-CB 3.44Å; M1555-P1864 HydrophobicContact CE-CG 3.91Å |
| 1556 | A | 74 | Confident | 79.9 | Confident | 14.2 Ų | 14.2 | 32.4 Ų | 32.4 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 5.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1345 R1552 R1553 S1554 C1558 V1865 F1869 | S1345-A1556 WeakPolarHBondContact CB-O 3.34Å; S1345-A1556 WeakPolarHBondContact OG-CA 3.41Å; S1345-A1556 PolarHBondContact OG-O 3.33Å; R1552-A1556 PolarHBondContact O-N 3.16Å; R1552-A1556 VanDerWaalsContact O-N 3.09Å; R1553-A1556 CarbonylContact O-C 3.45Å; R1553-A1556 WeakPolarHBondContact O-CA 3.38Å; R1553-A1556 PolarHBondContact O-N 3.21Å; R1553-A1556 VanDerWaalsContact O-N 3.1Å; S1554-A1556 VanDerWaalsContact C-N 3.29Å; S1554-A1556 PolarHBondContact O-N 3.1Å; A1556-C1558 VanDerWaalsContact C-N 3.27Å; A1556-C1558 PolarHBondContact O-N 3.35Å; A1556-V1865 HydrophobicContact CB-CG1 4.1Å; A1556-V1865 HydrophobicContact CB-CG2 4.45Å; A1556-F1869 HydrophobicContact CB-CB 3.68Å; A1556-F1869 HydrophobicContact CB-CD1 4.13Å; A1556-F1869 HydrophobicContact CB-CG 3.95Å |
| 1557 | G | 70.3 | Confident | 79.3 | Confident | 10.2 Ų | 10.2 | 35.4 Ų | 35.4 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 17.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1349 R1553 S1554 M1555 | K1349-G1557 WeakPolarHBondContact CD-O 3.45Å; K1349-G1557 PolarHBondContact NZ-O 3.07Å; R1553-G1557 PolarHBondContact O-N 3.25Å; S1554-G1557 WeakPolarHBondContact O-CA 3.35Å; S1554-G1557 PolarHBondContact O-N 3.06Å; M1555-G1557 PolarHBondContact O-N 3.09Å |
| 1558 | C | 72.5 | Confident | 78.7 | Confident | 47.6 Ų | 47.6 | 36.4 Ų | 36.4 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -108.9 | 167.9 | 177 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | K1349 R1553 S1554 A1556 F1560 | K1349-C1558 PolarHBondContact NZ-SG 3.29Å; R1553-C1558 CarbonylContact C-O 3.52Å; R1553-C1558 HydrophobicContact CG-CB 3.43Å; R1553-C1558 WeakPolarHBondContact O-CB 3.22Å; R1553-C1558 PolarHBondContact O-N 3.15Å; S1554-C1558 WeakPolarHBondContact CA-O 3.26Å; A1556-C1558 VanDerWaalsContact C-N 3.27Å; A1556-C1558 PolarHBondContact O-N 3.35Å; C1558-F1560 PolarHBondContact O-N 3.05Å |
| 1559 | N | 74.6 | Confident | 78.4 | Confident | 57.2 Ų | 57.2 | 38.7 Ų | 38.7 | 31% | 0.306 | 23% | 0.23 | S | C | . | . | trans | -74.2 | 120.9 | -167.1 | -173.8 | -10.3 | 0 | 0 | 0 | 113.3 | Q1445 E1449 R1553 F1561 A1562 | Q1445-N1559 VanDerWaalsContact CD-ND2 3.35Å; Q1445-N1559 WeakPolarHBondContact CG-ND2 3.42Å; Q1445-N1559 PolarHBondContact NE2-ND2 3.11Å; E1449-N1559 PolarHBondContact OE1-ND2 3.34Å; R1553-N1559 WeakPolarHBondContact CD-O 3.41Å; R1553-N1559 PolarHBondContact NH1-O 3.18Å; R1553-N1559 VanDerWaalsContact NH1-O 3.12Å; N1559-F1561 VanDerWaalsContact C-N 3.32Å; N1559-F1561 PolarHBondContact O-N 3.16Å; N1559-F1561 PolarHBondContact OD1-N 3.18Å; N1559-A1562 HydrophobicContact CB-CB 4.43Å; N1559-A1562 PolarHBondContact O-N 3.12Å | ||
| 1560 | F | 80.9 | Confident | 77.9 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -38.3 | 175.5 | -178 | -88.7 | 0 | 0 | 0 | 113.7 | P1336 A1339 L1547 R1550 H1551 R1553 C1558 A1562 | P1336-F1560 HydrophobicContact CB-CE1 3.84Å; P1336-F1560 HydrophobicContact CB-CZ 4.11Å; P1336-F1560 HydrophobicContact CG-CE1 4.32Å; P1336-F1560 HydrophobicContact CG-CZ 4.4Å; A1339-F1560 HydrophobicContact CB-CB 4.46Å; A1339-F1560 HydrophobicContact CB-CD2 3.63Å; A1339-F1560 HydrophobicContact CB-CE2 3.99Å; A1339-F1560 HydrophobicContact CB-CG 4.05Å; L1547-F1560 HydrophobicContact CD1-CZ 3.99Å; R1550-F1560 VanDerWaalsContact C-CD2 3.48Å; R1550-F1560 HydrophobicContact CB-CD2 3.81Å; R1550-F1560 HydrophobicContact CB-CE1 4.46Å; R1550-F1560 HydrophobicContact CB-CE2 3.67Å; R1550-F1560 HydrophobicContact CB-CG 4.28Å; R1550-F1560 HydrophobicContact CB-CZ 4.03Å; R1550-F1560 WeakPolarHBondContact CB-O 3.33Å; R1550-F1560 WeakPolarHBondContact CD-O 3.47Å; R1550-F1560 VanDerWaalsContact CG-O 3.31Å; R1550-F1560 WeakPolarHBondContact CG-O 3.41Å; R1550-F1560 PolarHBondContact NH1-O 3.2Å; R1550-F1560 VanDerWaalsContact NH1-O 3.11Å; R1550-F1560 WeakPolarHBondContact O-CD2 3.41Å; H1551-F1560 HydrophobicContact CB-CE2 4.44Å; H1551-F1560 AromaticContact CD2-CE2 3.77Å; H1551-F1560 AromaticContact CE1-CE2 3.78Å; H1551-F1560 AromaticContact CG-CE2 3.75Å; H1551-F1560 AromaticContact ND1-CE2 3.76Å; H1551-F1560 AromaticContact NE2-CE2 3.78Å; R1553-F1560 PolarHBondContact NH1-O 3.01Å; C1558-F1560 PolarHBondContact O-N 3.05Å; F1560-A1562 VanDerWaalsContact C-N 3.31Å; F1560-A1562 PolarHBondContact O-N 3.39Å |
| 1561 | F | 79.7 | Confident | 77.3 | Confident | 105.8 Ų | 105.8 | 41 Ų | 41 | 46% | 0.464 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -10.3 | -171.5 | -64 | -76.1 | 0 | 0 | 0 | 114.1 | R1550 N1559 | R1550-F1561 VanDerWaalsContact NH1-C 3.27Å; R1550-F1561 PolarHBondContact NH1-O 2.99Å; N1559-F1561 VanDerWaalsContact C-N 3.32Å; N1559-F1561 PolarHBondContact O-N 3.16Å; N1559-F1561 PolarHBondContact OD1-N 3.18Å |
| 1562 | A | 76.6 | Confident | 76.7 | Confident | 33.8 Ų | 33.8 | 40.7 Ų | 40.7 | 28% | 0.279 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -65 | 143.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1550 R1553 N1559 F1560 | R1550-A1562 PolarHBondContact NH1-O 3.13Å; R1550-A1562 VanDerWaalsContact NH1-O 3.13Å; R1553-A1562 PolarHBondContact NH1-O 3.06Å; R1553-A1562 PolarHBondContact NH2-O 3.3Å; N1559-A1562 HydrophobicContact CB-CB 4.43Å; N1559-A1562 PolarHBondContact O-N 3.12Å; F1560-A1562 VanDerWaalsContact C-N 3.31Å; F1560-A1562 PolarHBondContact O-N 3.39Å |
| 1563 | A | 76.2 | Confident | 76.2 | Confident | 77.6 Ų | 77.6 | 43.3 Ų | 43.3 | 64% | 0.641 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 144.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R1553 | R1553-A1563 PolarHBondContact NH2-O 2.82Š|
| 1564 | A | 75.9 | Confident | 75.7 | Confident | 23.6 Ų | 23.6 | 50 Ų | 50 | 20% | 0.195 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -82 | 136.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1546 S1549 R1553 E1568 L1569 | E1546-A1564 HydrophobicContact CG-CB 4.01Å; S1549-A1564 VanDerWaalsContact OG-CB 3.26Å; S1549-A1564 WeakPolarHBondContact OG-CB 3.38Å; R1553-A1564 VanDerWaalsContact NH2-CA 3.27Å; R1553-A1564 VanDerWaalsContact NH2-CB 3.29Å; A1564-E1568 VanDerWaalsContact CA-OE2 3.29Å; A1564-E1568 WeakPolarHBondContact CA-OE2 3.35Å; A1564-L1569 HydrophobicContact CB-CD1 3.56Å; A1564-L1569 VanDerWaalsContact CB-CD1 3.44Å; A1564-L1569 HydrophobicContact CB-CD2 3.92Å; A1564-L1569 HydrophobicContact CB-CG 3.84Å |
| 1565 | S | 76.5 | Confident | 75.2 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 153.6 | 176.8 | 97.3 | 0 | 0 | 0 | 0 | 110.4 | E1567 E1568 L1569 | S1565-E1567 PolarHBondContact O-N 3.21Å; S1565-E1567 VanDerWaalsContact O-N 3.13Å; S1565-E1567 WeakPolarHBondContact OG-CB 3.31Å; S1565-E1567 PolarHBondContact OG-N 3.21Å; S1565-E1568 PolarHBondContact N-OE2 3.25Å; S1565-E1568 WeakPolarHBondContact O-CB 3.29Å; S1565-E1568 PolarHBondContact O-N 3.13Å; S1565-E1568 VanDerWaalsContact O-N 3.13Å; S1565-E1568 VanDerWaalsContact OG-CG 3.26Å; S1565-E1568 WeakPolarHBondContact OG-CG 3.35Å; S1565-E1568 PolarHBondContact OG-N 2.96Å; S1565-E1568 VanDerWaalsContact OG-N 3.1Å; S1565-L1569 VanDerWaalsContact O-CD1 3.29Å; S1565-L1569 WeakPolarHBondContact O-CD1 3.34Å; S1565-L1569 WeakPolarHBondContact O-CG 3.37Å; S1565-L1569 PolarHBondContact O-N 3.14Å; S1565-L1569 VanDerWaalsContact O-N 3.1Å |
| 1566 | S | 75.2 | Confident | 75.1 | Confident | 106.8 Ų | 106.8 | 52.7 Ų | 52.7 | 75% | 0.747 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.5 | -27.8 | 176.3 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | S1570 | S1566-S1570 WeakPolarHBondContact O-CB 3.41Å; S1566-S1570 PolarHBondContact O-N 3.1Å; S1566-S1570 VanDerWaalsContact O-N 3.09Å; S1566-S1570 PolarHBondContact O-OG 3.27Å |
| 1567 | E | 74 | Confident | 75.3 | Confident | 107.6 Ų | 107.6 | 55.6 Ų | 55.6 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.2 | -45.2 | 175.8 | -160.3 | -171.5 | 154.7 | 0 | 0 | 111.1 | S1565 L1569 S1570 Q1571 | S1565-E1567 PolarHBondContact O-N 3.21Å; S1565-E1567 VanDerWaalsContact O-N 3.13Å; S1565-E1567 WeakPolarHBondContact OG-CB 3.31Å; S1565-E1567 PolarHBondContact OG-N 3.21Å; E1567-L1569 VanDerWaalsContact C-N 3.29Å; E1567-L1569 PolarHBondContact O-N 3.2Å; E1567-S1570 CarbonylContact O-C 3.32Å; E1567-S1570 WeakPolarHBondContact O-CA 3.26Å; E1567-S1570 PolarHBondContact O-N 2.94Å; E1567-S1570 VanDerWaalsContact O-N 3.14Å; E1567-S1570 PolarHBondContact O-OG 3.24Å; E1567-S1570 VanDerWaalsContact O-OG 3.08Å; E1567-Q1571 HydrophobicContact CG-CG 4.46Å; E1567-Q1571 WeakPolarHBondContact O-CB 3.23Å; E1567-Q1571 VanDerWaalsContact O-CG 3.28Å; E1567-Q1571 WeakPolarHBondContact O-CG 3.41Å; E1567-Q1571 PolarHBondContact O-N 3.23Å; E1567-Q1571 PolarHBondContact OE1-NE2 3.13Å |
| 1568 | E | 73.8 | Confident | 76 | Confident | 20.8 Ų | 20.8 | 55.6 Ų | 55.6 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 176.8 | -66.8 | 177.2 | 141 | 0 | 0 | 112.5 | S1549 R1553 A1564 S1565 Q1571 S1572 F1869 L1872 | S1549-E1568 PolarHBondContact OG-O 3.43Å; R1553-E1568 VanDerWaalsContact CD-OE1 3.24Å; R1553-E1568 WeakPolarHBondContact CD-OE1 3.34Å; R1553-E1568 WeakPolarHBondContact CG-OE1 3.41Å; R1553-E1568 IonicContact CZ-OE1 2.97Å; R1553-E1568 IonicContact CZ-OE2 3.29Å; R1553-E1568 VanDerWaalsContact CZ-OE2 3.28Å; R1553-E1568 VanDerWaalsContact NE-CD 3.31Å; R1553-E1568 IonicContact NE-OE1 3.27Å; R1553-E1568 PolarHBondContact NE-OE1 3.04Å; R1553-E1568 IonicContact NE-OE2 3.22Å; R1553-E1568 PolarHBondContact NE-OE2 3.01Å; R1553-E1568 IonicContact NH2-OE1 3.55Å; R1553-E1568 IonicContact NH2-OE2 3.23Å; R1553-E1568 PolarHBondContact NH2-OE2 3.26Å; A1564-E1568 VanDerWaalsContact CA-OE2 3.29Å; A1564-E1568 WeakPolarHBondContact CA-OE2 3.35Å; S1565-E1568 PolarHBondContact N-OE2 3.25Å; S1565-E1568 WeakPolarHBondContact O-CB 3.29Å; S1565-E1568 PolarHBondContact O-N 3.13Å; S1565-E1568 VanDerWaalsContact O-N 3.13Å; S1565-E1568 VanDerWaalsContact OG-CG 3.26Å; S1565-E1568 WeakPolarHBondContact OG-CG 3.35Å; S1565-E1568 PolarHBondContact OG-N 2.96Å; S1565-E1568 VanDerWaalsContact OG-N 3.1Å; E1568-Q1571 PolarHBondContact O-N 3.35Å; E1568-S1572 VanDerWaalsContact O-CB 3.27Å; E1568-S1572 WeakPolarHBondContact O-CB 3.42Å; E1568-S1572 PolarHBondContact O-N 3.11Å; E1568-S1572 PolarHBondContact O-OG 3.26Å; E1568-F1869 HydrophobicContact CB-CE1 4.27Å; E1568-F1869 HydrophobicContact CB-CZ 4.39Å; E1568-F1869 HydrophobicContact CG-CE1 3.86Å; E1568-F1869 HydrophobicContact CG-CZ 4.08Å; E1568-F1869 WeakPolarHBondContact OE1-CE1 3.44Å; E1568-L1872 HydrophobicContact CG-CD2 4.22Å |
| 1569 | L | 78.7 | Confident | 76.7 | Confident | 52.4 Ų | 52.4 | 53.4 Ų | 53.4 | 27% | 0.274 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 172.7 | -86.7 | 89.7 | 0 | 0 | 0 | 110.9 | I1545 E1546 A1564 S1565 E1567 Q1571 S1572 Q1573 | I1545-L1569 HydrophobicContact CD1-CB 4.36Å; I1545-L1569 HydrophobicContact CG1-CB 4.46Å; I1545-L1569 HydrophobicContact CG1-CD2 3.94Å; I1545-L1569 HydrophobicContact CG1-CG 4.32Å; I1545-L1569 HydrophobicContact CG2-CD2 4.21Å; E1546-L1569 HydrophobicContact CB-CD2 4.19Å; E1546-L1569 HydrophobicContact CG-CD2 4.47Å; A1564-L1569 HydrophobicContact CB-CD1 3.56Å; A1564-L1569 VanDerWaalsContact CB-CD1 3.44Å; A1564-L1569 HydrophobicContact CB-CD2 3.92Å; A1564-L1569 HydrophobicContact CB-CG 3.84Å; S1565-L1569 VanDerWaalsContact O-CD1 3.29Å; S1565-L1569 WeakPolarHBondContact O-CD1 3.34Å; S1565-L1569 WeakPolarHBondContact O-CG 3.37Å; S1565-L1569 PolarHBondContact O-N 3.14Å; S1565-L1569 VanDerWaalsContact O-N 3.1Å; E1567-L1569 VanDerWaalsContact C-N 3.29Å; E1567-L1569 PolarHBondContact O-N 3.2Å; L1569-Q1571 VanDerWaalsContact C-N 3.32Å; L1569-Q1571 PolarHBondContact O-N 2.97Å; L1569-S1572 WeakPolarHBondContact CA-OG 3.42Å; L1569-S1572 PolarHBondContact O-N 3.15Å; L1569-S1572 VanDerWaalsContact O-N 3.15Å; L1569-S1572 PolarHBondContact O-OG 3.19Å; L1569-S1572 VanDerWaalsContact O-OG 3.09Å; L1569-Q1573 WeakPolarHBondContact O-CB 3.45Å; L1569-Q1573 PolarHBondContact O-N 3.26Å |
| 1570 | S | 74.8 | Confident | 77.4 | Confident | 47.4 Ų | 47.4 | 50.6 Ų | 50.6 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 179.7 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | S1566 E1567 S1572 Q1573 Q1574 | S1566-S1570 WeakPolarHBondContact O-CB 3.41Å; S1566-S1570 PolarHBondContact O-N 3.1Å; S1566-S1570 VanDerWaalsContact O-N 3.09Å; S1566-S1570 PolarHBondContact O-OG 3.27Å; E1567-S1570 CarbonylContact O-C 3.32Å; E1567-S1570 WeakPolarHBondContact O-CA 3.26Å; E1567-S1570 PolarHBondContact O-N 2.94Å; E1567-S1570 VanDerWaalsContact O-N 3.14Å; E1567-S1570 PolarHBondContact O-OG 3.24Å; E1567-S1570 VanDerWaalsContact O-OG 3.08Å; S1570-S1572 VanDerWaalsContact C-N 3.35Å; S1570-S1572 PolarHBondContact O-N 3.25Å; S1570-Q1573 WeakPolarHBondContact O-CB 3.3Å; S1570-Q1573 PolarHBondContact O-N 3.41Å; S1570-Q1574 VanDerWaalsContact O-CG 3.28Å; S1570-Q1574 WeakPolarHBondContact O-CG 3.37Å; S1570-Q1574 PolarHBondContact O-N 3.09Å; S1570-Q1574 VanDerWaalsContact O-N 3.15Å |
| 1571 | Q | 74.7 | Confident | 77.7 | Confident | 28.8 Ų | 28.8 | 50.7 Ų | 50.7 | 14% | 0.135 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 173 | -69.7 | 179.5 | 18.1 | 0 | 0 | 110.5 | E1567 E1568 L1569 Q1573 Q1574 N1575 F1869 | E1567-Q1571 HydrophobicContact CG-CG 4.46Å; E1567-Q1571 WeakPolarHBondContact O-CB 3.23Å; E1567-Q1571 VanDerWaalsContact O-CG 3.28Å; E1567-Q1571 WeakPolarHBondContact O-CG 3.41Å; E1567-Q1571 PolarHBondContact O-N 3.23Å; E1567-Q1571 PolarHBondContact OE1-NE2 3.13Å; E1568-Q1571 PolarHBondContact O-N 3.35Å; L1569-Q1571 VanDerWaalsContact C-N 3.32Å; L1569-Q1571 PolarHBondContact O-N 2.97Å; Q1571-Q1573 VanDerWaalsContact C-N 3.28Å; Q1571-Q1573 PolarHBondContact O-N 3.13Å; Q1571-Q1574 PolarHBondContact O-N 3.12Å; Q1571-Q1574 VanDerWaalsContact O-N 3.11Å; Q1571-N1575 WeakPolarHBondContact O-CB 3.4Å; Q1571-N1575 VanDerWaalsContact O-CG 3.26Å; Q1571-N1575 PolarHBondContact O-N 3.11Å; Q1571-N1575 PolarHBondContact O-ND2 3.27Å; Q1571-F1869 VanDerWaalsContact OE1-CE2 3.3Å |
| 1572 | S | 74.2 | Confident | 78.2 | Confident | 1.6 Ų | 1.6 | 45.7 Ų | 45.7 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -31.4 | 179.5 | -19.2 | 0 | 0 | 0 | 0 | 112.9 | I1545 S1549 E1568 L1569 S1570 Y1576 | I1545-S1572 WeakPolarHBondContact CD1-OG 3.38Å; I1545-S1572 WeakPolarHBondContact CG1-OG 3.11Å; S1549-S1572 WeakPolarHBondContact CA-OG 3.39Å; S1549-S1572 VanDerWaalsContact CB-OG 3.28Å; S1549-S1572 WeakPolarHBondContact CB-OG 3.25Å; S1549-S1572 VanDerWaalsContact OG-CB 3.22Å; S1549-S1572 WeakPolarHBondContact OG-CB 3.35Å; S1549-S1572 PolarHBondContact OG-OG 3.23Å; E1568-S1572 VanDerWaalsContact O-CB 3.27Å; E1568-S1572 WeakPolarHBondContact O-CB 3.42Å; E1568-S1572 PolarHBondContact O-N 3.11Å; E1568-S1572 PolarHBondContact O-OG 3.26Å; L1569-S1572 WeakPolarHBondContact CA-OG 3.42Å; L1569-S1572 PolarHBondContact O-N 3.15Å; L1569-S1572 VanDerWaalsContact O-N 3.15Å; L1569-S1572 PolarHBondContact O-OG 3.19Å; L1569-S1572 VanDerWaalsContact O-OG 3.09Å; S1570-S1572 VanDerWaalsContact C-N 3.35Å; S1570-S1572 PolarHBondContact O-N 3.25Å; S1572-Y1576 WeakPolarHBondContact O-CD2 3.41Å |
| 1573 | Q | 73.2 | Confident | 78.9 | Confident | 94 Ų | 94 | 44.2 Ų | 44.2 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71 | -35.6 | 172.1 | 176.1 | 171.8 | 0.3 | 0 | 0 | 112.9 | N1532 F1535 I1545 L1569 S1570 Q1571 | N1532-Q1573 PolarHBondContact OD1-NE2 2.94Å; F1535-Q1573 HydrophobicContact CE2-CB 4.29Å; F1535-Q1573 HydrophobicContact CE2-CG 3.77Å; F1535-Q1573 HydrophobicContact CZ-CB 4.18Å; F1535-Q1573 HydrophobicContact CZ-CG 4.01Å; I1545-Q1573 HydrophobicContact CD1-CB 4.21Å; L1569-Q1573 WeakPolarHBondContact O-CB 3.45Å; L1569-Q1573 PolarHBondContact O-N 3.26Å; S1570-Q1573 WeakPolarHBondContact O-CB 3.3Å; S1570-Q1573 PolarHBondContact O-N 3.41Å; Q1571-Q1573 VanDerWaalsContact C-N 3.28Å; Q1571-Q1573 PolarHBondContact O-N 3.13Å |
| 1574 | Q | 71.8 | Confident | 79.6 | Confident | 153 Ų | 153 | 40.6 Ų | 40.6 | 72% | 0.715 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -76.5 | -25.5 | 178.4 | -71.7 | 172.2 | 2.6 | 0 | 0 | 113.5 | S1570 Q1571 Y1576 | S1570-Q1574 VanDerWaalsContact O-CG 3.28Å; S1570-Q1574 WeakPolarHBondContact O-CG 3.37Å; S1570-Q1574 PolarHBondContact O-N 3.09Å; S1570-Q1574 VanDerWaalsContact O-N 3.15Å; Q1571-Q1574 PolarHBondContact O-N 3.12Å; Q1571-Q1574 VanDerWaalsContact O-N 3.11Å; Q1574-Y1576 VanDerWaalsContact C-N 3.34Å; Q1574-Y1576 PolarHBondContact O-N 3.24Å |
| 1575 | N | 72 | Confident | 80.2 | Confident | 60.4 Ų | 60.4 | 40.3 Ų | 40.3 | 32% | 0.323 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -77.7 | -18 | -172.9 | -87.1 | -79.9 | 0 | 0 | 0 | 115.1 | R1552 Q1571 | R1552-N1575 VanDerWaalsContact CZ-CG 3.45Å; R1552-N1575 PolarHBondContact NH2-ND2 3.26Å; R1552-N1575 PolarHBondContact NH2-OD1 3.1Å; Q1571-N1575 WeakPolarHBondContact O-CB 3.4Å; Q1571-N1575 VanDerWaalsContact O-CG 3.26Å; Q1571-N1575 PolarHBondContact O-N 3.11Å; Q1571-N1575 PolarHBondContact O-ND2 3.27Å |
| 1576 | Y | 78.5 | Confident | 80.9 | Confident | 10.8 Ų | 10.8 | 38 Ų | 38 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | trans | -130.3 | 116.4 | 178.5 | -54.5 | -77.3 | 0 | 0 | 0 | 109.2 | M1531 L1548 R1552 S1572 Q1574 E1581 L1582 D1585 | M1531-Y1576 HydrophobicContact CE-CD2 4.09Å; M1531-Y1576 HydrophobicContact CE-CG 4.16Å; M1531-Y1576 WeakPolarHBondContact CG-O 3.39Å; L1548-Y1576 HydrophobicContact CD1-CE2 3.91Å; L1548-Y1576 HydrophobicContact CD2-CD2 3.8Å; L1548-Y1576 HydrophobicContact CD2-CE2 3.73Å; L1548-Y1576 HydrophobicContact CG-CD2 4.44Å; L1548-Y1576 HydrophobicContact CG-CE2 4Å; R1552-Y1576 VanDerWaalsContact NH1-CZ 3.31Å; R1552-Y1576 PolarHBondContact NH1-OH 2.96Å; S1572-Y1576 WeakPolarHBondContact O-CD2 3.41Å; Q1574-Y1576 VanDerWaalsContact C-N 3.34Å; Q1574-Y1576 PolarHBondContact O-N 3.24Å; Y1576-E1581 HydrophobicContact CD1-CB 4.44Å; Y1576-L1582 HydrophobicContact CD1-CB 4.29Å; Y1576-L1582 HydrophobicContact CD1-CD1 4.32Å; Y1576-L1582 HydrophobicContact CD2-CD1 4.39Å; Y1576-L1582 HydrophobicContact CE1-CD1 4.06Å; Y1576-L1582 HydrophobicContact CE2-CD1 4.11Å; Y1576-L1582 HydrophobicContact CG-CD1 4.43Å; Y1576-D1585 HydrophobicContact CE1-CB 3.99Å; Y1576-D1585 WeakPolarHBondContact CE1-OD2 3.35Å; Y1576-D1585 VanDerWaalsContact CZ-OD2 3.27Å; Y1576-D1585 PolarHBondContact OH-OD2 3.19Å | ||
| 1577 | T | 78.1 | Confident | 81.7 | Confident | 75 Ų | 75 | 33 Ų | 33 | 46% | 0.46 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -81 | -34.7 | -179.9 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | E1581 | T1577-E1581 WeakPolarHBondContact CA-OE2 3.31Å; T1577-E1581 WeakPolarHBondContact CB-OE2 3.44Å; T1577-E1581 PolarHBondContact N-OE2 3.19Å; T1577-E1581 VanDerWaalsContact OG1-CD 3.26Å; T1577-E1581 PolarHBondContact OG1-OE1 3.18Å; T1577-E1581 VanDerWaalsContact OG1-OE1 3.08Å; T1577-E1581 PolarHBondContact OG1-OE2 3.26Å |
| 1578 | N | 84.7 | Confident | 82.5 | Confident | 10.8 Ų | 10.8 | 28 Ų | 28 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -142.8 | 166.5 | -173.1 | 61.9 | 64.1 | 0 | 0 | 0 | 112 | A1527 C1529 M1531 L1580 E1581 | A1527-N1578 WeakPolarHBondContact O-CB 3.16Å; C1529-N1578 CarbonylContact O-C 3.53Å; C1529-N1578 VanDerWaalsContact O-CA 3.31Å; C1529-N1578 WeakPolarHBondContact O-CA 3.38Å; M1531-N1578 WeakPolarHBondContact CE-O 3.43Å; N1578-L1580 VanDerWaalsContact C-N 3.31Å; N1578-L1580 PolarHBondContact O-N 3.15Å; N1578-L1580 WeakPolarHBondContact OD1-CA 3.33Å; N1578-L1580 VanDerWaalsContact OD1-CB 3.26Å; N1578-L1580 WeakPolarHBondContact OD1-CB 3.26Å; N1578-L1580 PolarHBondContact OD1-N 3.13Å; N1578-L1580 VanDerWaalsContact OD1-N 3.1Å; N1578-E1581 PolarHBondContact N-OE2 2.82Å; N1578-E1581 PolarHBondContact ND2-OE1 3.12Å; N1578-E1581 PolarHBondContact ND2-OE2 2.98Å; N1578-E1581 PolarHBondContact O-N 3.13Å; N1578-E1581 VanDerWaalsContact OD1-CB 3.3Å; N1578-E1581 WeakPolarHBondContact OD1-CB 3.46Å; N1578-E1581 WeakPolarHBondContact OD1-CG 3.27Å; N1578-E1581 PolarHBondContact OD1-N 3.16Å |
| 1579 | L | 87.4 | Confident | 83.3 | Confident | 0.2 Ų | 0.2 | 27.6 Ų | 27.6 | 0% | 0.001 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.1 | -23.6 | -178.3 | -169.6 | 58.3 | 0 | 0 | 0 | 113.3 | I1322 I1326 L1330 L1526 C1529 M1531 M1534 L1582 I1583 | I1322-L1579 HydrophobicContact CG1-CD2 4.34Å; I1322-L1579 HydrophobicContact CG2-CD2 4.23Å; I1326-L1579 HydrophobicContact CB-CD2 4.35Å; I1326-L1579 HydrophobicContact CD1-CD2 4.16Å; I1326-L1579 HydrophobicContact CG2-CD1 4.32Å; I1326-L1579 HydrophobicContact CG2-CD2 4.2Å; L1330-L1579 HydrophobicContact CD1-CD1 4.06Å; L1526-L1579 HydrophobicContact CD2-CB 4.17Å; L1526-L1579 HydrophobicContact CD2-CD2 3.79Å; L1526-L1579 HydrophobicContact CD2-CG 3.72Å; L1526-L1579 PolarHBondContact O-N 3.2Å; C1529-L1579 HydrophobicContact CB-CB 4.07Å; C1529-L1579 HydrophobicContact CB-CD2 4.27Å; C1529-L1579 PolarHBondContact O-N 3.19Å; M1531-L1579 HydrophobicContact CE-CB 4.17Å; M1531-L1579 HydrophobicContact CE-CD1 3.83Å; M1531-L1579 HydrophobicContact SD-CD1 4.25Å; M1534-L1579 HydrophobicContact CG-CD1 4.42Å; M1534-L1579 HydrophobicContact SD-CD1 4.3Å; M1534-L1579 HydrophobicContact SD-CD2 4.31Å; L1579-L1582 HydrophobicContact CD1-CD2 4Å; L1579-L1582 PolarHBondContact O-N 3.04Å; L1579-I1583 HydrophobicContact CG-CD1 4.32Å; L1579-I1583 WeakPolarHBondContact O-CG1 3.43Å; L1579-I1583 PolarHBondContact O-N 3.1Å; L1579-I1583 VanDerWaalsContact O-N 3.11Å |
| 1580 | L | 89.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 175.4 | -178.2 | 64.1 | 0 | 0 | 0 | 111.6 | V1523 L1526 A1527 N1578 L1582 I1583 I1584 I1664 L1668 L1741 T1745 | V1523-L1580 HydrophobicContact CG1-CD1 4.27Å; V1523-L1580 HydrophobicContact CG1-CD2 4.15Å; L1526-L1580 HydrophobicContact CB-CB 3.81Å; L1526-L1580 HydrophobicContact CB-CD1 4.2Å; L1526-L1580 HydrophobicContact CB-CG 4.48Å; L1526-L1580 HydrophobicContact CD1-CD1 3.86Å; L1526-L1580 PolarHBondContact O-N 3.13Å; A1527-L1580 HydrophobicContact CB-CD2 4.28Å; N1578-L1580 VanDerWaalsContact C-N 3.31Å; N1578-L1580 PolarHBondContact O-N 3.15Å; N1578-L1580 WeakPolarHBondContact OD1-CA 3.33Å; N1578-L1580 VanDerWaalsContact OD1-CB 3.26Å; N1578-L1580 WeakPolarHBondContact OD1-CB 3.26Å; N1578-L1580 PolarHBondContact OD1-N 3.13Å; N1578-L1580 VanDerWaalsContact OD1-N 3.1Å; L1580-L1582 VanDerWaalsContact C-N 3.32Å; L1580-L1582 PolarHBondContact O-N 3.25Å; L1580-I1583 PolarHBondContact O-N 3.43Å; L1580-I1584 HydrophobicContact CD1-CD1 4.1Å; L1580-I1584 HydrophobicContact CD1-CG1 4.41Å; L1580-I1584 HydrophobicContact CG-CD1 3.89Å; L1580-I1584 VanDerWaalsContact O-CG1 3.29Å; L1580-I1584 WeakPolarHBondContact O-CG1 3.38Å; L1580-I1584 PolarHBondContact O-N 3.25Å; L1580-I1664 HydrophobicContact CD1-CG2 3.87Å; L1580-L1668 HydrophobicContact CD2-CD2 4.09Å; L1580-L1741 HydrophobicContact CD2-CD2 4.4Å; L1580-T1745 HydrophobicContact CD2-CG2 4.23Å |
| 1581 | E | 87.3 | Confident | 84.5 | Confident | 4.4 Ų | 4.4 | 23.5 Ų | 23.5 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 176.8 | -77.1 | 162.8 | -171.8 | 0 | 0 | 111.9 | Y1576 T1577 N1578 I1584 D1585 T1745 H1748 T1749 | Y1576-E1581 HydrophobicContact CD1-CB 4.44Å; T1577-E1581 WeakPolarHBondContact CA-OE2 3.31Å; T1577-E1581 WeakPolarHBondContact CB-OE2 3.44Å; T1577-E1581 PolarHBondContact N-OE2 3.19Å; T1577-E1581 VanDerWaalsContact OG1-CD 3.26Å; T1577-E1581 PolarHBondContact OG1-OE1 3.18Å; T1577-E1581 VanDerWaalsContact OG1-OE1 3.08Å; T1577-E1581 PolarHBondContact OG1-OE2 3.26Å; N1578-E1581 PolarHBondContact N-OE2 2.82Å; N1578-E1581 PolarHBondContact ND2-OE1 3.12Å; N1578-E1581 PolarHBondContact ND2-OE2 2.98Å; N1578-E1581 PolarHBondContact O-N 3.13Å; N1578-E1581 VanDerWaalsContact OD1-CB 3.3Å; N1578-E1581 WeakPolarHBondContact OD1-CB 3.46Å; N1578-E1581 WeakPolarHBondContact OD1-CG 3.27Å; N1578-E1581 PolarHBondContact OD1-N 3.16Å; E1581-I1584 PolarHBondContact O-N 3.04Å; E1581-D1585 VanDerWaalsContact O-CB 3.3Å; E1581-D1585 WeakPolarHBondContact O-CB 3.31Å; E1581-D1585 PolarHBondContact O-N 3.2Å; E1581-T1745 HydrophobicContact CG-CG2 4.07Å; E1581-H1748 IonicContact OE1-CD2 3.41Å; E1581-H1748 PolarHBondContact OE1-CD2 3Å; E1581-H1748 IonicContact OE1-CG 2.82Å; E1581-T1749 HydrophobicContact CB-CG2 4.37Å; E1581-T1749 HydrophobicContact CG-CG2 4.27Å |
| 1582 | L | 89.3 | Confident | 85.2 | Confident | 0.2 Ų | 0.2 | 22.3 Ų | 22.3 | 0% | 0.001 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 175.3 | -178.4 | 75.6 | 0 | 0 | 0 | 112.1 | L1330 M1531 F1544 L1548 Y1576 L1579 L1580 I1584 D1585 L1586 | L1330-L1582 HydrophobicContact CD1-CD2 4.02Å; L1330-L1582 HydrophobicContact CD2-CD2 3.92Å; M1531-L1582 HydrophobicContact CE-CB 4.09Å; M1531-L1582 HydrophobicContact CE-CD1 4.16Å; M1531-L1582 HydrophobicContact CE-CD2 4.03Å; M1531-L1582 HydrophobicContact CE-CG 4.36Å; M1531-L1582 HydrophobicContact SD-CB 4.26Å; M1531-L1582 HydrophobicContact SD-CD2 4.36Å; F1544-L1582 HydrophobicContact CE1-CD2 4.39Å; F1544-L1582 HydrophobicContact CZ-CD2 3.7Å; L1548-L1582 HydrophobicContact CD1-CD1 3.63Å; L1548-L1582 HydrophobicContact CD2-CD1 4.14Å; L1548-L1582 HydrophobicContact CG-CD1 4.5Å; Y1576-L1582 HydrophobicContact CD1-CB 4.29Å; Y1576-L1582 HydrophobicContact CD1-CD1 4.32Å; Y1576-L1582 HydrophobicContact CD2-CD1 4.39Å; Y1576-L1582 HydrophobicContact CE1-CD1 4.06Å; Y1576-L1582 HydrophobicContact CE2-CD1 4.11Å; Y1576-L1582 HydrophobicContact CG-CD1 4.43Å; L1579-L1582 HydrophobicContact CD1-CD2 4Å; L1579-L1582 PolarHBondContact O-N 3.04Å; L1580-L1582 VanDerWaalsContact C-N 3.32Å; L1580-L1582 PolarHBondContact O-N 3.25Å; L1582-I1584 VanDerWaalsContact C-N 3.34Å; L1582-I1584 PolarHBondContact O-N 3.32Å; L1582-D1585 PolarHBondContact O-N 3.16Å; L1582-L1586 HydrophobicContact CD1-CD1 4.45Å; L1582-L1586 HydrophobicContact CD1-CG 4.47Å; L1582-L1586 HydrophobicContact CD2-CD1 4.37Å; L1582-L1586 HydrophobicContact CG-CD1 4.03Å; L1582-L1586 HydrophobicContact CG-CG 4.46Å; L1582-L1586 WeakPolarHBondContact O-CB 3.41Å; L1582-L1586 WeakPolarHBondContact O-CG 3.46Å; L1582-L1586 PolarHBondContact O-N 3.08Å |
| 1583 | I | 91.7 | Very high | 85.8 | Confident | 3.8 Ų | 3.8 | 22.3 Ų | 22.3 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.9 | -39.3 | -179.2 | -68.9 | -107.1 | 0 | 0 | 0 | 110.8 | I1326 L1330 L1511 L1526 L1579 L1580 L1586 C1587 I1664 | I1326-I1583 HydrophobicContact CD1-CD1 3.78Å; I1326-I1583 HydrophobicContact CD1-CG1 3.93Å; I1326-I1583 HydrophobicContact CG1-CD1 4.44Å; I1326-I1583 HydrophobicContact CG2-CD1 4.4Å; L1330-I1583 HydrophobicContact CD2-CD1 4.02Å; L1511-I1583 HydrophobicContact CD1-CD1 4.49Å; L1526-I1583 HydrophobicContact CD1-CD1 3.86Å; L1526-I1583 HydrophobicContact CD2-CD1 3.44Å; L1526-I1583 VanDerWaalsContact CD2-CD1 3.49Å; L1526-I1583 HydrophobicContact CD2-CG1 4.23Å; L1526-I1583 HydrophobicContact CG-CD1 4.32Å; L1579-I1583 HydrophobicContact CG-CD1 4.32Å; L1579-I1583 WeakPolarHBondContact O-CG1 3.43Å; L1579-I1583 PolarHBondContact O-N 3.1Å; L1579-I1583 VanDerWaalsContact O-N 3.11Å; L1580-I1583 PolarHBondContact O-N 3.43Å; I1583-L1586 PolarHBondContact O-N 3.27Å; I1583-C1587 WeakPolarHBondContact O-CB 3.42Å; I1583-C1587 PolarHBondContact O-N 3.22Å; I1583-C1587 PolarHBondContact O-SG 3.1Å; I1583-I1664 HydrophobicContact CG2-CD1 4.11Å |
| 1584 | I | 90.5 | Very high | 86.2 | Confident | 1.6 Ų | 1.6 | 18.3 Ų | 18.3 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.3 | -49.7 | 174.4 | -67.7 | 168.1 | 0 | 0 | 0 | 110.4 | L1580 E1581 L1582 L1586 C1587 L1588 L1661 I1664 T1745 T1749 L1751 | L1580-I1584 HydrophobicContact CD1-CD1 4.1Å; L1580-I1584 HydrophobicContact CD1-CG1 4.41Å; L1580-I1584 HydrophobicContact CG-CD1 3.89Å; L1580-I1584 VanDerWaalsContact O-CG1 3.29Å; L1580-I1584 WeakPolarHBondContact O-CG1 3.38Å; L1580-I1584 PolarHBondContact O-N 3.25Å; E1581-I1584 PolarHBondContact O-N 3.04Å; L1582-I1584 VanDerWaalsContact C-N 3.34Å; L1582-I1584 PolarHBondContact O-N 3.32Å; I1584-L1586 VanDerWaalsContact C-N 3.33Å; I1584-L1586 PolarHBondContact O-N 3.06Å; I1584-C1587 PolarHBondContact O-N 3.21Å; I1584-C1587 VanDerWaalsContact O-N 3.14Å; I1584-L1588 HydrophobicContact CG2-CD1 3.99Å; I1584-L1588 HydrophobicContact CG2-CG 4.34Å; I1584-L1588 WeakPolarHBondContact O-CB 3.39Å; I1584-L1588 VanDerWaalsContact O-CG 3.28Å; I1584-L1588 WeakPolarHBondContact O-CG 3.32Å; I1584-L1588 PolarHBondContact O-N 3.16Å; I1584-L1661 HydrophobicContact CB-CD1 4.2Å; I1584-L1661 HydrophobicContact CB-CD2 4.2Å; I1584-L1661 HydrophobicContact CG1-CD1 4.08Å; I1584-L1661 HydrophobicContact CG1-CD2 4.07Å; I1584-L1661 HydrophobicContact CG2-CD1 4.03Å; I1584-L1661 HydrophobicContact CG2-CD2 3.92Å; I1584-I1664 HydrophobicContact CD1-CG2 4.31Å; I1584-I1664 HydrophobicContact CG1-CG2 4.33Å; I1584-T1745 HydrophobicContact CD1-CG2 3.51Å; I1584-T1749 HydrophobicContact CB-CG2 3.94Å; I1584-T1749 HydrophobicContact CD1-CG2 4.43Å; I1584-T1749 HydrophobicContact CG2-CG2 3.63Å; I1584-L1751 HydrophobicContact CG2-CD1 4.36Å |
| 1585 | D | 88.2 | Confident | 86.7 | Confident | 16 Ų | 16 | 11.1 Ų | 11.1 | 9% | 0.086 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 177.9 | -177.5 | 46.2 | 0 | 0 | 0 | 112 | Y1576 E1581 L1582 C1587 L1588 Q1589 W1863 | Y1576-D1585 HydrophobicContact CE1-CB 3.99Å; Y1576-D1585 WeakPolarHBondContact CE1-OD2 3.35Å; Y1576-D1585 VanDerWaalsContact CZ-OD2 3.27Å; Y1576-D1585 PolarHBondContact OH-OD2 3.19Å; E1581-D1585 VanDerWaalsContact O-CB 3.3Å; E1581-D1585 WeakPolarHBondContact O-CB 3.31Å; E1581-D1585 PolarHBondContact O-N 3.2Å; L1582-D1585 PolarHBondContact O-N 3.16Å; D1585-C1587 VanDerWaalsContact C-N 3.34Å; D1585-C1587 PolarHBondContact O-N 2.93Å; D1585-L1588 CarbonylContact O-C 2.97Å; D1585-L1588 WeakPolarHBondContact O-CB 3.32Å; D1585-L1588 PolarHBondContact O-N 3.15Å; D1585-L1588 VanDerWaalsContact O-N 3.1Å; D1585-Q1589 WeakPolarHBondContact O-CB 3.31Å; D1585-Q1589 VanDerWaalsContact O-CG 3.27Å; D1585-Q1589 WeakPolarHBondContact O-CG 3.14Å; D1585-Q1589 PolarHBondContact O-N 3Å; D1585-Q1589 PolarHBondContact OD1-NE2 2.74Å; D1585-Q1589 PolarHBondContact OD2-NE2 3.15Å; D1585-W1863 PolarHBondContact OD1-NE1 3.13Å |
| 1586 | L | 91.6 | Very high | 86.6 | Confident | 3 Ų | 3 | 9.3 Ų | 9.3 | 2% | 0.016 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.6 | -75.8 | 171.9 | 0 | 0 | 0 | 112.3 | L1330 L1334 L1582 I1583 I1584 L1588 Q1589 Y1590 | L1330-L1586 HydrophobicContact CD2-CD1 3.56Å; L1330-L1586 VanDerWaalsContact CD2-CD1 3.48Å; L1334-L1586 HydrophobicContact CD2-CD1 4.45Å; L1334-L1586 HydrophobicContact CD2-CD2 3.84Å; L1334-L1586 HydrophobicContact CG-CD1 4.47Å; L1334-L1586 HydrophobicContact CG-CD2 4.4Å; L1582-L1586 HydrophobicContact CD1-CD1 4.45Å; L1582-L1586 HydrophobicContact CD1-CG 4.47Å; L1582-L1586 HydrophobicContact CD2-CD1 4.37Å; L1582-L1586 HydrophobicContact CG-CD1 4.03Å; L1582-L1586 HydrophobicContact CG-CG 4.46Å; L1582-L1586 WeakPolarHBondContact O-CB 3.41Å; L1582-L1586 WeakPolarHBondContact O-CG 3.46Å; L1582-L1586 PolarHBondContact O-N 3.08Å; I1583-L1586 PolarHBondContact O-N 3.27Å; I1584-L1586 VanDerWaalsContact C-N 3.33Å; I1584-L1586 PolarHBondContact O-N 3.06Å; L1586-L1588 VanDerWaalsContact C-N 3.32Å; L1586-L1588 PolarHBondContact O-N 3.16Å; L1586-Q1589 PolarHBondContact O-N 2.94Å; L1586-Y1590 VanDerWaalsContact O-CD2 3.29Å; L1586-Y1590 WeakPolarHBondContact O-CD2 3.37Å; L1586-Y1590 PolarHBondContact O-N 3.19Å |
| 1587 | C | 92.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.5 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | I1583 I1584 D1585 Y1590 M1591 A1657 L1661 | I1583-C1587 WeakPolarHBondContact O-CB 3.42Å; I1583-C1587 PolarHBondContact O-N 3.22Å; I1583-C1587 PolarHBondContact O-SG 3.1Å; I1584-C1587 PolarHBondContact O-N 3.21Å; I1584-C1587 VanDerWaalsContact O-N 3.14Å; D1585-C1587 VanDerWaalsContact C-N 3.34Å; D1585-C1587 PolarHBondContact O-N 2.93Å; C1587-Y1590 PolarHBondContact O-N 3.07Å; C1587-M1591 WeakPolarHBondContact O-CB 3.42Å; C1587-M1591 VanDerWaalsContact O-CG 3.3Å; C1587-M1591 WeakPolarHBondContact O-CG 3.29Å; C1587-M1591 PolarHBondContact O-N 3.27Å; C1587-A1657 HydrophobicContact CB-CB 4.32Å; C1587-L1661 HydrophobicContact CB-CD1 3.64Å; C1587-L1661 HydrophobicContact CB-CD2 3.98Å; C1587-L1661 HydrophobicContact CB-CG 3.78Å |
| 1588 | L | 89.9 | Confident | 84.6 | Confident | 3.2 Ų | 3.2 | 10.3 Ų | 10.3 | 2% | 0.017 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 176.3 | -69.2 | 176.8 | 0 | 0 | 0 | 112.1 | I1584 D1585 L1586 Y1590 M1591 C1592 L1661 T1749 L1751 V1754 V1755 W1863 | I1584-L1588 HydrophobicContact CG2-CD1 3.99Å; I1584-L1588 HydrophobicContact CG2-CG 4.34Å; I1584-L1588 WeakPolarHBondContact O-CB 3.39Å; I1584-L1588 VanDerWaalsContact O-CG 3.28Å; I1584-L1588 WeakPolarHBondContact O-CG 3.32Å; I1584-L1588 PolarHBondContact O-N 3.16Å; D1585-L1588 CarbonylContact O-C 2.97Å; D1585-L1588 WeakPolarHBondContact O-CB 3.32Å; D1585-L1588 PolarHBondContact O-N 3.15Å; D1585-L1588 VanDerWaalsContact O-N 3.1Å; L1586-L1588 VanDerWaalsContact C-N 3.32Å; L1586-L1588 PolarHBondContact O-N 3.16Å; L1588-Y1590 VanDerWaalsContact C-N 3.34Å; L1588-Y1590 PolarHBondContact O-N 2.89Å; L1588-M1591 HydrophobicContact CD2-SD 4.43Å; L1588-M1591 PolarHBondContact O-N 3.12Å; L1588-C1592 WeakPolarHBondContact O-CB 3.38Å; L1588-C1592 PolarHBondContact O-N 3.28Å; L1588-C1592 PolarHBondContact O-SG 3.08Å; L1588-C1592 VanDerWaalsContact O-SG 3.37Å; L1588-L1661 HydrophobicContact CD2-CD1 3.82Å; L1588-L1661 HydrophobicContact CD2-CD2 3.52Å; L1588-L1661 HydrophobicContact CG-CD1 4.23Å; L1588-L1661 HydrophobicContact CG-CD2 3.94Å; L1588-T1749 WeakPolarHBondContact CD1-O 3.29Å; L1588-L1751 HydrophobicContact CD1-CB 4.47Å; L1588-L1751 HydrophobicContact CD1-CD1 4.34Å; L1588-L1751 HydrophobicContact CD2-CD1 3.89Å; L1588-L1751 HydrophobicContact CG-CD1 4.42Å; L1588-V1754 HydrophobicContact CB-CG1 4.24Å; L1588-V1754 HydrophobicContact CD1-CB 4.38Å; L1588-V1754 HydrophobicContact CD1-CG2 4.38Å; L1588-V1754 HydrophobicContact CD2-CB 3.96Å; L1588-V1754 HydrophobicContact CD2-CG1 3.86Å; L1588-V1754 HydrophobicContact CG-CG1 4.46Å; L1588-V1755 HydrophobicContact CD2-CG2 4.24Å; L1588-W1863 HydrophobicContact CB-CH2 4.26Å; L1588-W1863 HydrophobicContact CB-CZ2 3.92Å |
| 1589 | Q | 90 | Very high | 82.7 | Confident | 12.2 Ų | 12.2 | 12.3 Ų | 12.3 | 6% | 0.057 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.4 | -71 | 177 | 34.7 | 0 | 0 | 111.9 | L1493 M1555 D1585 L1586 M1591 C1592 S1593 W1863 | L1493-Q1589 HydrophobicContact CD1-CB 3.9Å; L1493-Q1589 HydrophobicContact CD1-CG 4.09Å; L1493-Q1589 WeakPolarHBondContact CD1-O 3.41Å; M1555-Q1589 HydrophobicContact CE-CG 3.87Å; M1555-Q1589 HydrophobicContact SD-CG 4.47Å; D1585-Q1589 WeakPolarHBondContact O-CB 3.31Å; D1585-Q1589 VanDerWaalsContact O-CG 3.27Å; D1585-Q1589 WeakPolarHBondContact O-CG 3.14Å; D1585-Q1589 PolarHBondContact O-N 3Å; D1585-Q1589 PolarHBondContact OD1-NE2 2.74Å; D1585-Q1589 PolarHBondContact OD2-NE2 3.15Å; L1586-Q1589 PolarHBondContact O-N 2.94Å; Q1589-M1591 PolarHBondContact O-N 2.99Å; Q1589-C1592 PolarHBondContact O-N 3.23Å; Q1589-C1592 VanDerWaalsContact O-N 3.16Å; Q1589-S1593 VanDerWaalsContact O-CB 3.31Å; Q1589-S1593 WeakPolarHBondContact O-CB 3.37Å; Q1589-S1593 PolarHBondContact O-N 3.22Å; Q1589-S1593 VanDerWaalsContact O-N 3.16Å; Q1589-S1593 PolarHBondContact O-OG 2.88Å; Q1589-W1863 HydrophobicContact CG-CZ2 4.28Å |
| 1590 | Y | 91 | Very high | 80.5 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 176.7 | -88.1 | -77.9 | 0 | 0 | 0 | 112 | L1333 T1338 R1340 Y1495 Y1499 V1504 F1508 L1586 C1587 L1588 C1592 S1593 V1653 Q1654 | L1333-Y1590 HydrophobicContact CB-CE2 4.32Å; L1333-Y1590 HydrophobicContact CD2-CE2 3.87Å; L1333-Y1590 PolarHBondContact O-OH 3.14Å; T1338-Y1590 WeakPolarHBondContact CG2-OH 3.48Å; R1340-Y1590 VanDerWaalsContact NH2-CD1 3.29Å; R1340-Y1590 VanDerWaalsContact NH2-CD2 3.31Å; R1340-Y1590 VanDerWaalsContact NH2-CE2 3.27Å; R1340-Y1590 VanDerWaalsContact NH2-CG 3.3Å; R1340-Y1590 PolarHBondContact NH2-OH 3.29Å; Y1495-Y1590 VanDerWaalsContact OH-CD1 3.3Å; Y1495-Y1590 WeakPolarHBondContact OH-CD1 3.31Å; Y1495-Y1590 VanDerWaalsContact OH-CE1 3.26Å; Y1495-Y1590 WeakPolarHBondContact OH-CE1 3.32Å; Y1499-Y1590 HydrophobicContact CE2-CE1 4.47Å; V1504-Y1590 HydrophobicContact CB-CE1 4.41Å; V1504-Y1590 HydrophobicContact CG1-CD1 4.04Å; V1504-Y1590 HydrophobicContact CG1-CE1 3.36Å; V1504-Y1590 HydrophobicContact CG2-CE1 4.18Å; V1504-Y1590 WeakPolarHBondContact CG2-OH 3.33Å; F1508-Y1590 HydrophobicContact CE2-CD1 4.01Å; F1508-Y1590 AromaticContact CE2-CD2 3.74Å; F1508-Y1590 HydrophobicContact CE2-CD2 3.74Å; F1508-Y1590 HydrophobicContact CE2-CE1 4.31Å; F1508-Y1590 AromaticContact CE2-CE2 3.98Å; F1508-Y1590 HydrophobicContact CE2-CE2 4.06Å; F1508-Y1590 AromaticContact CE2-CG 3.69Å; F1508-Y1590 HydrophobicContact CE2-CG 3.69Å; F1508-Y1590 HydrophobicContact CZ-CD1 4.48Å; F1508-Y1590 AromaticContact CZ-CD2 3.46Å; F1508-Y1590 HydrophobicContact CZ-CD2 3.46Å; F1508-Y1590 VanDerWaalsContact CZ-CD2 3.46Å; F1508-Y1590 AromaticContact CZ-CE2 3.96Å; F1508-Y1590 HydrophobicContact CZ-CE2 3.99Å; F1508-Y1590 AromaticContact CZ-CG 3.73Å; F1508-Y1590 HydrophobicContact CZ-CG 3.73Å; L1586-Y1590 VanDerWaalsContact O-CD2 3.29Å; L1586-Y1590 WeakPolarHBondContact O-CD2 3.37Å; L1586-Y1590 PolarHBondContact O-N 3.19Å; C1587-Y1590 PolarHBondContact O-N 3.07Å; L1588-Y1590 VanDerWaalsContact C-N 3.34Å; L1588-Y1590 PolarHBondContact O-N 2.89Å; Y1590-C1592 VanDerWaalsContact C-N 3.29Å; Y1590-C1592 PolarHBondContact O-N 3.15Å; Y1590-S1593 WeakPolarHBondContact O-CB 2.99Å; Y1590-S1593 PolarHBondContact O-N 3.1Å; Y1590-S1593 PolarHBondContact O-OG 3Å; Y1590-V1653 HydrophobicContact CD1-CG1 3.41Å; Y1590-V1653 VanDerWaalsContact CD1-CG1 3.44Å; Y1590-V1653 HydrophobicContact CE1-CG1 4.09Å; Y1590-V1653 HydrophobicContact CG-CG1 4.06Å; Y1590-Q1654 WeakPolarHBondContact O-CG 3.4Å |
| 1591 | M | 89.1 | Confident | 78.1 | Confident | 12.6 Ų | 12.6 | 20.6 Ų | 20.6 | 6% | 0.062 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 173.1 | -74.5 | 177.6 | 61.1 | 0 | 0 | 113.2 | C1587 L1588 Q1589 S1593 A1657 A1658 L1661 V1755 C1758 L1815 L1818 | C1587-M1591 WeakPolarHBondContact O-CB 3.42Å; C1587-M1591 VanDerWaalsContact O-CG 3.3Å; C1587-M1591 WeakPolarHBondContact O-CG 3.29Å; C1587-M1591 PolarHBondContact O-N 3.27Å; L1588-M1591 HydrophobicContact CD2-SD 4.43Å; L1588-M1591 PolarHBondContact O-N 3.12Å; Q1589-M1591 PolarHBondContact O-N 2.99Å; M1591-S1593 VanDerWaalsContact C-N 3.33Å; M1591-S1593 PolarHBondContact O-N 2.93Å; M1591-A1657 HydrophobicContact CG-CB 3.87Å; M1591-A1658 HydrophobicContact CE-CB 3.92Å; M1591-A1658 HydrophobicContact CG-CB 4.38Å; M1591-A1658 HydrophobicContact SD-CB 3.81Å; M1591-L1661 HydrophobicContact SD-CD1 3.57Å; M1591-L1661 VanDerWaalsContact SD-CD1 3.57Å; M1591-L1661 HydrophobicContact SD-CD2 3.94Å; M1591-V1755 HydrophobicContact CE-CG2 4.34Å; M1591-C1758 HydrophobicContact CE-CB 4.1Å; M1591-L1815 HydrophobicContact CE-CD2 3.45Å; M1591-L1815 VanDerWaalsContact CE-CD2 3.5Å; M1591-L1818 HydrophobicContact CE-CD2 4.09Å; M1591-L1818 HydrophobicContact SD-CD2 4.27Å |
| 1592 | C | 87.9 | Confident | 75.7 | Confident | 4.8 Ų | 4.8 | 24.6 Ų | 24.6 | 3% | 0.032 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -1.3 | -179.3 | -67 | 0 | 0 | 0 | 0 | 114.6 | H1491 L1493 L1588 Q1589 Y1590 Y1594 V1754 C1758 W1863 | H1491-C1592 VanDerWaalsContact O-CB 3.3Å; H1491-C1592 WeakPolarHBondContact O-CB 3.3Å; L1493-C1592 HydrophobicContact CB-CB 4.48Å; L1493-C1592 HydrophobicContact CD1-CB 4.02Å; L1493-C1592 HydrophobicContact CG-CB 3.98Å; L1493-C1592 PolarHBondContact N-O 3Å; L1588-C1592 WeakPolarHBondContact O-CB 3.38Å; L1588-C1592 PolarHBondContact O-N 3.28Å; L1588-C1592 PolarHBondContact O-SG 3.08Å; L1588-C1592 VanDerWaalsContact O-SG 3.37Å; Q1589-C1592 PolarHBondContact O-N 3.23Å; Q1589-C1592 VanDerWaalsContact O-N 3.16Å; Y1590-C1592 VanDerWaalsContact C-N 3.29Å; Y1590-C1592 PolarHBondContact O-N 3.15Å; C1592-Y1594 VanDerWaalsContact O-CD2 3.32Å; C1592-Y1594 WeakPolarHBondContact O-CD2 3.32Å; C1592-V1754 WeakPolarHBondContact SG-CG1 3.39Å; C1592-C1758 VanDerWaalsContact SG-SG 3.65Å; C1592-W1863 HydrophobicContact CB-CH2 4.18Å; C1592-W1863 HydrophobicContact CB-CZ3 4.41Å |
| 1593 | S | 87.2 | Confident | 73.1 | Confident | 0.8 Ų | 0.8 | 30.5 Ų | 30.5 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.7 | -169.1 | 58.1 | 0 | 0 | 0 | 0 | 114.8 | R1340 L1493 Y1495 Q1589 Y1590 M1591 N1650 Q1654 | R1340-S1593 WeakPolarHBondContact CD-OG 3.36Å; R1340-S1593 PolarHBondContact NE-OG 3.39Å; L1493-S1593 CarbonylContact O-C 3.21Å; L1493-S1593 WeakPolarHBondContact O-CA 3.21Å; Y1495-S1593 VanDerWaalsContact CE2-CB 3.45Å; Y1495-S1593 VanDerWaalsContact CE2-OG 3.27Å; Y1495-S1593 WeakPolarHBondContact CE2-OG 3.4Å; Y1495-S1593 WeakPolarHBondContact OH-CB 3.48Å; Y1495-S1593 PolarHBondContact OH-OG 2.96Å; Q1589-S1593 VanDerWaalsContact O-CB 3.31Å; Q1589-S1593 WeakPolarHBondContact O-CB 3.37Å; Q1589-S1593 PolarHBondContact O-N 3.22Å; Q1589-S1593 VanDerWaalsContact O-N 3.16Å; Q1589-S1593 PolarHBondContact O-OG 2.88Å; Y1590-S1593 WeakPolarHBondContact O-CB 2.99Å; Y1590-S1593 PolarHBondContact O-N 3.1Å; Y1590-S1593 PolarHBondContact O-OG 3Å; M1591-S1593 VanDerWaalsContact C-N 3.33Å; M1591-S1593 PolarHBondContact O-N 2.93Å; S1593-N1650 PolarHBondContact O-ND2 3.21Å; S1593-N1650 PolarHBondContact OG-OD1 2.96Å; S1593-Q1654 PolarHBondContact O-NE2 3.27Å |
| 1594 | Y | 83.2 | Confident | 70.5 | Confident | 10.8 Ų | 10.8 | 36.3 Ų | 36.3 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.9 | -178.8 | -85.5 | -101.1 | 0 | 0 | 0 | 111.1 | L1456 L1492 L1493 V1494 Y1495 C1592 P1596 K1765 L1793 I1794 N1797 | L1456-Y1594 HydrophobicContact CD1-CD1 4.26Å; L1456-Y1594 HydrophobicContact CD1-CE1 3.72Å; L1492-Y1594 HydrophobicContact CD2-CD1 4.48Å; L1492-Y1594 HydrophobicContact CD2-CD2 3.78Å; L1492-Y1594 HydrophobicContact CD2-CE2 3.4Å; L1492-Y1594 VanDerWaalsContact CD2-CE2 3.43Å; L1492-Y1594 HydrophobicContact CD2-CG 4.24Å; L1493-Y1594 PolarHBondContact O-N 2.85Å; V1494-Y1594 WeakPolarHBondContact CA-O 3.3Å; Y1495-Y1594 WeakPolarHBondContact CD2-O 3.39Å; Y1495-Y1594 PolarHBondContact N-O 3.14Å; Y1495-Y1594 VanDerWaalsContact N-O 3.11Å; C1592-Y1594 VanDerWaalsContact O-CD2 3.32Å; C1592-Y1594 WeakPolarHBondContact O-CD2 3.32Å; Y1594-P1596 HydrophobicContact CE1-CB 4.29Å; Y1594-K1765 WeakPolarHBondContact OH-CE 3.4Å; Y1594-K1765 PolarHBondContact OH-NZ 3.17Å; Y1594-L1793 HydrophobicContact CG-CD2 4.47Å; Y1594-L1793 HydrophobicContact CG-CG 4.26Å; Y1594-I1794 HydrophobicContact CE1-CG1 4.24Å; Y1594-N1797 HydrophobicContact CD1-CB 3.86Å; Y1594-N1797 HydrophobicContact CE1-CB 4.37Å |
| 1595 | L | 80.5 | Confident | 67.7 | Low | 2.2 Ų | 2.2 | 41.5 Ų | 41.5 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | trans | -91 | 130.5 | 177.8 | -73.5 | 162.5 | 0 | 0 | 0 | 109.3 | Y1495 Y1499 F1597 Y1642 E1646 F1647 N1650 N1797 | Y1495-L1595 HydrophobicContact CD2-CD1 3.82Å; Y1495-L1595 HydrophobicContact CD2-CD2 3.69Å; Y1495-L1595 HydrophobicContact CD2-CG 4.43Å; Y1495-L1595 HydrophobicContact CE2-CD1 4.47Å; Y1495-L1595 HydrophobicContact CE2-CD2 4.3Å; Y1495-L1595 HydrophobicContact CG-CD2 4.3Å; Y1499-L1595 HydrophobicContact CE1-CD2 3.97Å; L1595-F1597 PolarHBondContact O-N 3.29Å; L1595-Y1642 HydrophobicContact CB-CD1 4.3Å; L1595-Y1642 HydrophobicContact CB-CD2 4.43Å; L1595-Y1642 HydrophobicContact CB-CE1 4.31Å; L1595-Y1642 HydrophobicContact CB-CE2 4.43Å; L1595-Y1642 HydrophobicContact CB-CG 4.41Å; L1595-Y1642 HydrophobicContact CD1-CD1 3.91Å; L1595-Y1642 HydrophobicContact CD1-CE1 4.31Å; L1595-Y1642 HydrophobicContact CD1-CG 4.3Å; L1595-Y1642 HydrophobicContact CD2-CD1 4.1Å; L1595-Y1642 HydrophobicContact CD2-CE1 3.66Å; L1595-Y1642 VanDerWaalsContact CD2-CE1 3.46Å; L1595-Y1642 HydrophobicContact CG-CD1 4.26Å; L1595-Y1642 HydrophobicContact CG-CE1 4.29Å; L1595-E1646 HydrophobicContact CD1-CB 4.14Å; L1595-F1647 HydrophobicContact CB-CD1 4.17Å; L1595-F1647 HydrophobicContact CB-CE1 3.73Å; L1595-F1647 HydrophobicContact CB-CZ 4.29Å; L1595-F1647 HydrophobicContact CD1-CD1 3.89Å; L1595-F1647 HydrophobicContact CD1-CD2 4.32Å; L1595-F1647 HydrophobicContact CD1-CE1 4.13Å; L1595-F1647 HydrophobicContact CD1-CE2 4.46Å; L1595-F1647 HydrophobicContact CD1-CG 4.09Å; L1595-F1647 HydrophobicContact CD1-CZ 4.45Å; L1595-F1647 HydrophobicContact CG-CD1 4.46Å; L1595-F1647 HydrophobicContact CG-CE1 4.49Å; L1595-N1650 HydrophobicContact CD1-CB 4.16Å; L1595-N1650 HydrophobicContact CD2-CB 4.41Å; L1595-N1650 HydrophobicContact CG-CB 4.19Å; L1595-N1797 PolarHBondContact N-OD1 3.2Å; L1595-N1797 VanDerWaalsContact N-OD1 3.12Å; L1595-N1797 PolarHBondContact O-ND2 3.29Å; L1595-N1797 PolarHBondContact O-OD1 2.86Å | ||
| 1596 | P | 70.6 | Confident | 65.2 | Low | 21.2 Ų | 21.2 | 46.4 Ų | 46.4 | 14% | 0.138 | 28% | 0.277 | C | S | . | . | trans | -73.4 | 144.3 | 175.9 | 30.7 | -33.8 | 0 | 0 | 0 | 111.1 | L1456 W1476 V1494 Y1495 Y1594 Y1642 | L1456-P1596 HydrophobicContact CD1-CB 4.3Å; W1476-P1596 HydrophobicContact CH2-CB 3.34Å; W1476-P1596 HydrophobicContact CH2-CG 4.29Å; W1476-P1596 HydrophobicContact CZ2-CB 3.44Å; W1476-P1596 VanDerWaalsContact CZ2-CB 3.44Å; W1476-P1596 HydrophobicContact CZ2-CG 4.05Å; W1476-P1596 HydrophobicContact CZ3-CB 3.88Å; V1494-P1596 HydrophobicContact CG1-CB 3.79Å; V1494-P1596 HydrophobicContact CG1-CG 4.13Å; Y1495-P1596 WeakPolarHBondContact O-CD 3.38Å; Y1495-P1596 WeakPolarHBondContact O-CG 3.36Å; Y1594-P1596 HydrophobicContact CE1-CB 4.29Å; P1596-Y1642 WeakPolarHBondContact CD-OH 3.27Å; P1596-Y1642 HydrophobicContact CG-CE2 3.86Å; P1596-Y1642 VanDerWaalsContact O-CD2 3.25Å; P1596-Y1642 WeakPolarHBondContact O-CD2 3.34Å; P1596-Y1642 WeakPolarHBondContact O-CE2 3.46Å | ||
| 1597 | F | 61.9 | Low | 62.5 | Low | 45.4 Ų | 45.4 | 52.1 Ų | 52.1 | 20% | 0.199 | 31% | 0.312 | C | S | . | . | trans | -107.8 | 122.4 | -178.7 | 169.4 | -95.7 | 0 | 0 | 0 | 111.7 | N1453 V1473 W1476 L1595 T1599 F1636 F1647 Q1792 L1793 V1796 L1800 | N1453-F1597 PolarHBondContact ND2-O 3.29Å; V1473-F1597 HydrophobicContact CB-CD1 4.17Å; V1473-F1597 HydrophobicContact CB-CE1 3.77Å; V1473-F1597 HydrophobicContact CB-CZ 4.14Å; V1473-F1597 HydrophobicContact CG1-CD1 3.76Å; V1473-F1597 HydrophobicContact CG1-CE1 3.52Å; V1473-F1597 HydrophobicContact CG1-CG 4.48Å; V1473-F1597 HydrophobicContact CG1-CZ 3.94Å; V1473-F1597 HydrophobicContact CG2-CD1 3.54Å; V1473-F1597 HydrophobicContact CG2-CE1 3.89Å; V1473-F1597 VanDerWaalsContact CG2-CE1 3.46Å; V1473-F1597 HydrophobicContact CG2-CZ 4.41Å; W1476-F1597 WeakPolarHBondContact CH2-O 3.43Å; W1476-F1597 WeakPolarHBondContact CZ3-O 3.35Å; L1595-F1597 PolarHBondContact O-N 3.29Å; F1597-T1599 HydrophobicContact CD1-CG2 3.77Å; F1597-T1599 HydrophobicContact CD2-CG2 4.37Å; F1597-T1599 HydrophobicContact CE1-CG2 3.57Å; F1597-T1599 WeakPolarHBondContact CE1-OG1 3.38Å; F1597-T1599 HydrophobicContact CE2-CG2 4.08Å; F1597-T1599 HydrophobicContact CZ-CG2 3.49Å; F1597-T1599 PolarHBondContact O-N 2.88Å; F1597-F1636 AromaticContact CD2-CD1 3.75Å; F1597-F1636 HydrophobicContact CD2-CD1 3.75Å; F1597-F1636 HydrophobicContact CD2-CE1 4.22Å; F1597-F1636 HydrophobicContact CD2-CG 4.49Å; F1597-F1636 HydrophobicContact CE2-CD1 4.12Å; F1597-F1636 HydrophobicContact CE2-CE1 4.12Å; F1597-F1647 HydrophobicContact CD2-CZ 4.34Å; F1597-Q1792 HydrophobicContact CE1-CB 4.33Å; F1597-Q1792 HydrophobicContact CZ-CB 3.68Å; F1597-L1793 HydrophobicContact CD1-CD1 4.31Å; F1597-L1793 HydrophobicContact CE1-CB 4.37Å; F1597-L1793 HydrophobicContact CE1-CD1 4.23Å; F1597-V1796 HydrophobicContact CB-CB 4.49Å; F1597-V1796 HydrophobicContact CB-CG1 4.13Å; F1597-V1796 HydrophobicContact CD1-CB 3.97Å; F1597-V1796 HydrophobicContact CD1-CG1 4.02Å; F1597-V1796 HydrophobicContact CD2-CB 4.05Å; F1597-V1796 HydrophobicContact CD2-CG1 4.07Å; F1597-V1796 HydrophobicContact CD2-CG2 4.04Å; F1597-V1796 HydrophobicContact CE1-CB 4.33Å; F1597-V1796 HydrophobicContact CE2-CB 4.37Å; F1597-V1796 HydrophobicContact CE2-CG1 4.41Å; F1597-V1796 HydrophobicContact CE2-CG2 3.99Å; F1597-V1796 HydrophobicContact CG-CB 3.86Å; F1597-V1796 HydrophobicContact CG-CG1 4.15Å; F1597-V1796 VanDerWaalsContact CG-CG1 3.43Å; F1597-V1796 HydrophobicContact CG-CG2 4.36Å; F1597-V1796 HydrophobicContact CZ-CG2 4.27Å; F1597-L1800 HydrophobicContact CB-CD1 4.09Å; F1597-L1800 HydrophobicContact CD2-CD1 3.35Å; F1597-L1800 HydrophobicContact CE2-CD1 3.5Å; F1597-L1800 VanDerWaalsContact CE2-CD1 3.46Å; F1597-L1800 HydrophobicContact CE2-CD2 4.14Å; F1597-L1800 HydrophobicContact CE2-CG 4.44Å; F1597-L1800 HydrophobicContact CG-CD1 4.46Å | ||
| 1598 | I | 52 | Low | 59.8 | Low | 62.8 Ų | 62.8 | 57.9 Ų | 57.9 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | trans | -117.5 | 120.7 | 174.7 | -57.6 | 174.3 | 0 | 0 | 0 | 108.5 | V1455 W1476 V1600 F1636 S1637 R1639 | V1455-I1598 HydrophobicContact CG1-CD1 3.69Å; V1455-I1598 HydrophobicContact CG1-CG1 3.96Å; V1455-I1598 HydrophobicContact CG1-CG2 4.17Å; V1455-I1598 HydrophobicContact CG2-CD1 3.96Å; W1476-I1598 HydrophobicContact CH2-CG1 4.34Å; W1476-I1598 HydrophobicContact CZ2-CG1 4.5Å; I1598-V1600 HydrophobicContact CG2-CG2 4.28Å; I1598-V1600 PolarHBondContact O-N 2.96Å; I1598-F1636 CarbonylContact O-C 3.6Å; I1598-F1636 WeakPolarHBondContact O-CA 3.38Å; I1598-S1637 WeakPolarHBondContact CB-OG 3.34Å; I1598-S1637 WeakPolarHBondContact CG2-OG 3.29Å; I1598-S1637 PolarHBondContact N-O 3.23Å; I1598-S1637 PolarHBondContact O-N 3.34Å; I1598-R1639 HydrophobicContact CD1-CB 3.71Å; I1598-R1639 HydrophobicContact CD1-CG 4.02Å; I1598-R1639 HydrophobicContact CG1-CB 3.89Å | ||
| 1599 | T | 46.1 | Very low | 57.2 | Low | 52.4 Ų | 52.4 | 65 Ų | 65 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | trans | -102.2 | 122.7 | 168 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | L1470 T1474 F1597 F1636 K1785 | L1470-T1599 HydrophobicContact CG-CG2 4.35Å; L1470-T1599 PolarHBondContact O-OG1 3.4Å; T1474-T1599 WeakPolarHBondContact CG2-O 3.27Å; F1597-T1599 HydrophobicContact CD1-CG2 3.77Å; F1597-T1599 HydrophobicContact CD2-CG2 4.37Å; F1597-T1599 HydrophobicContact CE1-CG2 3.57Å; F1597-T1599 WeakPolarHBondContact CE1-OG1 3.38Å; F1597-T1599 HydrophobicContact CE2-CG2 4.08Å; F1597-T1599 HydrophobicContact CZ-CG2 3.49Å; F1597-T1599 PolarHBondContact O-N 2.88Å; T1599-F1636 HydrophobicContact CG2-CD1 3.96Å; T1599-F1636 HydrophobicContact CG2-CE1 3.87Å; T1599-K1785 WeakPolarHBondContact OG1-CE 3.48Å; T1599-K1785 PolarHBondContact OG1-NZ 3.18Å | ||
| 1600 | V | 41.3 | Very low | 54.5 | Low | 92.8 Ų | 92.8 | 70.3 Ų | 70.3 | 56% | 0.562 | 42% | 0.418 | S | S | * | . | trans | -104.1 | 110 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | I1598 T1602 Q1635 S1637 | I1598-V1600 HydrophobicContact CG2-CG2 4.28Å; I1598-V1600 PolarHBondContact O-N 2.96Å; V1600-T1602 HydrophobicContact CG1-CG2 4.31Å; V1600-T1602 PolarHBondContact O-N 3.15Å; V1600-Q1635 PolarHBondContact N-O 3.15Å; V1600-Q1635 PolarHBondContact O-N 2.82Å; V1600-S1637 WeakPolarHBondContact CG2-OG 3.27Å | ||
| 1601 | T | 38.9 | Very low | 51.9 | Low | 82.2 Ų | 82.2 | 76.3 Ų | 76.3 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | trans | -89 | 104.9 | 175.8 | 42.8 | 0 | 0 | 0 | 0 | 110 | L1470 D1471 T1603 I1634 | L1470-T1601 HydrophobicContact CB-CG2 4.22Å; D1471-T1601 WeakPolarHBondContact OD1-CG2 3.03Å; D1471-T1601 PolarHBondContact OD1-OG1 3.18Å; T1601-T1603 PolarHBondContact O-N 3.07Å; T1601-I1634 HydrophobicContact CG2-CG1 4.08Å | ||
| 1602 | T | 36.6 | Very low | 49.4 | Very low | 88 Ų | 88 | 81.8 Ų | 81.8 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | trans | -81.3 | 99.8 | 171.3 | 47.5 | 0 | 0 | 0 | 0 | 110 | V1600 T1604 S1633 | V1600-T1602 HydrophobicContact CG1-CG2 4.31Å; V1600-T1602 PolarHBondContact O-N 3.15Å; T1602-T1604 PolarHBondContact O-N 3.15Å; T1602-S1633 PolarHBondContact OG1-O 2.86Å | ||
| 1603 | T | 34.3 | Very low | 47.1 | Very low | 123 Ų | 123 | 86.9 Ų | 86.9 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | trans | -72.8 | 96.1 | 172.1 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | T1601 T1605 | T1601-T1603 PolarHBondContact O-N 3.07Å; T1603-T1605 PolarHBondContact O-N 3.2Å; T1603-T1605 VanDerWaalsContact O-N 3.14Å | ||
| 1604 | T | 36.6 | Very low | 44.8 | Very low | 126 Ų | 126 | 93 Ų | 93 | 77% | 0.773 | 55% | 0.553 | S | S | * | * | trans | -74.9 | 99.9 | 168.1 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | T1602 P1606 | T1602-T1604 PolarHBondContact O-N 3.15Å; T1604-P1606 WeakPolarHBondContact O-CD 3.26Å | ||
| 1605 | T | 32.8 | Very low | 42.6 | Very low | 111.4 Ų | 111.4 | 99.1 Ų | 99.1 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | trans | -64.2 | 126.5 | 170.5 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | T1603 T1607 | T1603-T1605 PolarHBondContact O-N 3.2Å; T1603-T1605 VanDerWaalsContact O-N 3.14Å; T1605-T1607 PolarHBondContact O-N 3.29Å; T1605-T1607 VanDerWaalsContact O-N 3.07Å | ||
| 1606 | P | 34.8 | Very low | 40.6 | Very low | 119.2 Ų | 119.2 | 105.7 Ų | 105.7 | 77% | 0.774 | 62% | 0.622 | S | S | * | * | trans | -72.5 | 115 | 173.6 | 29.3 | -31.8 | 0 | 0 | 0 | 109.2 | T1604 V1608 | T1604-P1606 WeakPolarHBondContact O-CD 3.26Å; P1606-V1608 PolarHBondContact O-N 3.22Å; P1606-V1608 VanDerWaalsContact O-N 3.12Å | ||
| 1607 | T | 34.8 | Very low | 38.9 | Very low | 123 Ų | 123 | 110.8 Ų | 110.8 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | trans | -79.8 | 103.4 | 173.7 | 48.1 | 0 | 0 | 0 | 0 | 110 | T1605 N1609 | T1605-T1607 PolarHBondContact O-N 3.29Å; T1605-T1607 VanDerWaalsContact O-N 3.07Å; T1607-N1609 PolarHBondContact O-N 2.89Å; T1607-N1609 VanDerWaalsContact O-N 3.1Å | ||
| 1608 | V | 36.6 | Very low | 37.9 | Very low | 122.4 Ų | 122.4 | 116.1 Ų | 116.1 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | -62.9 | 113.6 | 165.8 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | P1606 T1610 | P1606-V1608 PolarHBondContact O-N 3.22Å; P1606-V1608 VanDerWaalsContact O-N 3.12Å; V1608-T1610 PolarHBondContact O-N 3.12Å | ||
| 1609 | N | 36.1 | Very low | 37.1 | Very low | 152.8 Ų | 152.8 | 119.2 Ų | 119.2 | 82% | 0.817 | 69% | 0.69 | S | S | * | * | trans | -94.6 | 119.7 | 159.7 | -79.4 | -11.8 | 0 | 0 | 0 | 109.3 | T1607 T1611 | T1607-N1609 PolarHBondContact O-N 2.89Å; T1607-N1609 VanDerWaalsContact O-N 3.1Å; N1609-T1611 PolarHBondContact O-N 3.25Å | ||
| 1610 | T | 33.1 | Very low | 36.6 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | -86.8 | 127.4 | 177.6 | -19.2 | 0 | 0 | 0 | 0 | 111.5 | V1608 | V1608-T1610 PolarHBondContact O-N 3.12Š| ||
| 1611 | T | 35.4 | Very low | 36.2 | Very low | 126.4 Ų | 126.4 | 129.6 Ų | 129.6 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | -130.4 | 132.3 | 146.9 | 45.8 | 0 | 0 | 0 | 0 | 113.4 | N1609 | N1609-T1611 PolarHBondContact O-N 3.25Š| ||
| 1612 | V | 37.5 | Very low | 35.9 | Very low | 127.2 Ų | 127.2 | 131.6 Ų | 131.6 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | 79.6 | 130.5 | 150.7 | 173.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1613 | V | 39.5 | Very low | 35.6 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | 137.4 | 132.8 | 113.8 | 146 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1614 | D | 37.4 | Very low | 35.5 | Very low | 128.2 Ų | 128.2 | 133.4 Ų | 133.4 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | 83.1 | 139.9 | 136.1 | -60.6 | -19.7 | 0 | 0 | 0 | 116.3 | ||||
| 1615 | D | 37.7 | Very low | 35.1 | Very low | 138.6 Ų | 138.6 | 132.4 Ų | 132.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | 113.2 | 147.7 | 104.2 | -79.1 | -13.4 | 0 | 0 | 0 | 118.9 | |||||
| 1616 | D | 38.3 | Very low | 34.9 | Very low | 142.6 Ų | 142.6 | 135.2 Ų | 135.2 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 71.9 | 96 | 143.8 | -66.8 | -6.4 | 0 | 0 | 0 | 123.7 | ||||
| 1617 | D | 36.4 | Very low | 34.7 | Very low | 128.2 Ų | 128.2 | 136.3 Ų | 136.3 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | 52.7 | 124.7 | 117 | -113.6 | -3 | 0 | 0 | 0 | 122.6 | |||||
| 1618 | H | 40.4 | Very low | 34.4 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | 116.7 | 118 | 127.5 | -83.8 | -17.9 | 0 | 0 | 0 | 119.3 | |||||
| 1619 | N | 35.6 | Very low | 34 | Very low | 128.6 Ų | 128.6 | 138.4 Ų | 138.4 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | trans | 43.4 | 121.3 | 144.3 | -65.9 | -51.5 | 0 | 0 | 0 | 117.7 | ||||
| 1620 | N | 35.3 | Very low | 33.7 | Very low | 141.6 Ų | 141.6 | 136.4 Ų | 136.4 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | 176.2 | 139 | 116.7 | -96.6 | -57.3 | 0 | 0 | 0 | 116.5 | |||||
| 1621 | R | 31.1 | Very low | 33.5 | Very low | 222.6 Ų | 222.6 | 139.8 Ų | 139.8 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 1.3 | 134.3 | 155.2 | -64.5 | 169.7 | 176 | -177.8 | -2.8 | 115.6 | ||||
| 1622 | T | 32.7 | Very low | 33.3 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | -176.8 | 136 | 73.1 | 33.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1623 | T | 30.4 | Very low | 33 | Very low | 130.8 Ų | 130.8 | 137.2 Ų | 137.2 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 20.2 | 120.8 | 144.8 | 57.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1624 | S | 32.1 | Very low | 32.9 | Very low | 119.4 Ų | 119.4 | 136 Ų | 136 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | -171.8 | 149.4 | 117.9 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1625 | S | 29.3 | Very low | 32.8 | Very low | 103.8 Ų | 103.8 | 137.6 Ų | 137.6 | 73% | 0.726 | 75% | 0.751 | S | S | * | * | trans | -85.5 | 128.8 | 168.9 | 77.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1626 | M | 28.9 | Very low | 32.8 | Very low | 171.6 Ų | 171.6 | 134.8 Ų | 134.8 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | 150.4 | 134.9 | 116.3 | -91.5 | 177.6 | 129.3 | 0 | 0 | 114.8 | |||||
| 1627 | N | 29.3 | Very low | 32.6 | Very low | 141.2 Ų | 141.2 | 130.9 Ų | 130.9 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -7.4 | 96.4 | 159.7 | -71.1 | -26.5 | 0 | 0 | 0 | 116.2 | T1629 | N1627-T1629 VanDerWaalsContact C-N 3.26Å; N1627-T1629 PolarHBondContact O-N 3.49Å | ||
| 1628 | N | 28.9 | Very low | 32.9 | Very low | 165.2 Ų | 165.2 | 132.2 Ų | 132.2 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -119.8 | 78.2 | 160.5 | -95 | -21.6 | 0 | 0 | 0 | 110.9 | S1630 | N1628-S1630 PolarHBondContact O-N 3.16Å; N1628-S1630 VanDerWaalsContact O-N 3.07Å | ||
| 1629 | T | 29.2 | Very low | 32.9 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | trans | -82.1 | 89.7 | 166.2 | 43.5 | 0 | 0 | 0 | 0 | 109.5 | N1627 K1631 | N1627-T1629 VanDerWaalsContact C-N 3.26Å; N1627-T1629 PolarHBondContact O-N 3.49Å; T1629-K1631 PolarHBondContact O-N 3.08Å | ||
| 1630 | S | 30 | Very low | 33.6 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | trans | -65 | 96.3 | 175.7 | 41.7 | 0 | 0 | 0 | 0 | 111 | N1628 S1632 | N1628-S1630 PolarHBondContact O-N 3.16Å; N1628-S1630 VanDerWaalsContact O-N 3.07Å; S1630-S1632 VanDerWaalsContact C-N 3.31Å; S1630-S1632 PolarHBondContact O-N 2.97Å | ||
| 1631 | K | 28.8 | Very low | 34.5 | Very low | 193.2 Ų | 193.2 | 128 Ų | 128 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | -65.2 | 92.1 | 170.5 | -73.5 | 177.9 | 177.5 | 173.4 | 0 | 109.9 | T1629 S1633 | T1629-K1631 PolarHBondContact O-N 3.08Å; K1631-S1633 VanDerWaalsContact C-N 3.33Å; K1631-S1633 PolarHBondContact O-N 3.06Å | ||
| 1632 | S | 29.6 | Very low | 36.3 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -68.7 | 91.5 | 169.9 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | S1630 I1634 N1782 | S1630-S1632 VanDerWaalsContact C-N 3.31Å; S1630-S1632 PolarHBondContact O-N 2.97Å; S1632-I1634 PolarHBondContact O-N 3.21Å; S1632-I1634 VanDerWaalsContact O-N 3.13Å; S1632-N1782 PolarHBondContact O-ND2 3.41Å | ||
| 1633 | S | 32.3 | Very low | 38.3 | Very low | 98.6 Ų | 98.6 | 113.6 Ų | 113.6 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | trans | -72.3 | 108.2 | 172.2 | 51 | 0 | 0 | 0 | 0 | 110 | T1602 K1631 Q1635 | T1602-S1633 PolarHBondContact OG1-O 2.86Å; K1631-S1633 VanDerWaalsContact C-N 3.33Å; K1631-S1633 PolarHBondContact O-N 3.06Å; S1633-Q1635 PolarHBondContact O-N 3.17Å; S1633-Q1635 VanDerWaalsContact O-N 3.14Å | ||
| 1634 | I | 37.6 | Very low | 40.6 | Very low | 87.6 Ų | 87.6 | 111.9 Ų | 111.9 | 45% | 0.449 | 61% | 0.609 | S | S | . | * | trans | -69.6 | 113.1 | 171.6 | -62.3 | 166.7 | 0 | 0 | 0 | 108.4 | L1470 T1601 S1632 F1636 P1781 N1782 K1785 | L1470-I1634 HydrophobicContact CD1-CD1 4.3Å; L1470-I1634 HydrophobicContact CD2-CD1 3.57Å; L1470-I1634 HydrophobicContact CD2-CG1 4.41Å; L1470-I1634 HydrophobicContact CD2-CG2 4.35Å; T1601-I1634 HydrophobicContact CG2-CG1 4.08Å; S1632-I1634 PolarHBondContact O-N 3.21Å; S1632-I1634 VanDerWaalsContact O-N 3.13Å; I1634-F1636 HydrophobicContact CB-CE2 4.38Å; I1634-F1636 HydrophobicContact CG2-CD2 4.28Å; I1634-F1636 HydrophobicContact CG2-CE1 4.46Å; I1634-F1636 HydrophobicContact CG2-CE2 4.05Å; I1634-F1636 HydrophobicContact CG2-CZ 4.11Å; I1634-F1636 PolarHBondContact O-N 2.94Å; I1634-P1781 HydrophobicContact CB-CB 4.12Å; I1634-P1781 HydrophobicContact CG2-CB 4.1Å; I1634-P1781 WeakPolarHBondContact O-CB 3.48Å; I1634-P1781 WeakPolarHBondContact O-CG 3.4Å; I1634-N1782 WeakPolarHBondContact CB-OD1 3.36Å; I1634-N1782 HydrophobicContact CD1-CB 4.15Å; I1634-N1782 PolarHBondContact N-OD1 3.5Å; I1634-K1785 HydrophobicContact CD1-CD 3.75Å; I1634-K1785 HydrophobicContact CD1-CG 4.33Å; I1634-K1785 HydrophobicContact CG2-CD 4.47Å | ||
| 1635 | Q | 35.1 | Very low | 42.9 | Very low | 163 Ų | 163 | 116 Ų | 116 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | trans | -91.5 | 112.5 | 174.4 | -137.1 | 175.5 | -7.1 | 0 | 0 | 109.6 | V1600 S1633 S1637 | V1600-Q1635 PolarHBondContact N-O 3.15Å; V1600-Q1635 PolarHBondContact O-N 2.82Å; S1633-Q1635 PolarHBondContact O-N 3.17Å; S1633-Q1635 VanDerWaalsContact O-N 3.14Å; Q1635-S1637 PolarHBondContact O-N 3.24Å | ||
| 1636 | F | 38.4 | Very low | 45.4 | Very low | 77.8 Ų | 77.8 | 113.2 Ų | 113.2 | 34% | 0.341 | 58% | 0.581 | S | S | . | * | trans | -75.1 | 119.4 | 173 | -64.1 | -86 | 0 | 0 | 0 | 109.6 | F1597 I1598 T1599 I1634 Y1642 K1644 P1781 I1784 V1796 L1800 | F1597-F1636 AromaticContact CD2-CD1 3.75Å; F1597-F1636 HydrophobicContact CD2-CD1 3.75Å; F1597-F1636 HydrophobicContact CD2-CE1 4.22Å; F1597-F1636 HydrophobicContact CD2-CG 4.49Å; F1597-F1636 HydrophobicContact CE2-CD1 4.12Å; F1597-F1636 HydrophobicContact CE2-CE1 4.12Å; I1598-F1636 CarbonylContact O-C 3.6Å; I1598-F1636 WeakPolarHBondContact O-CA 3.38Å; T1599-F1636 HydrophobicContact CG2-CD1 3.96Å; T1599-F1636 HydrophobicContact CG2-CE1 3.87Å; I1634-F1636 HydrophobicContact CB-CE2 4.38Å; I1634-F1636 HydrophobicContact CG2-CD2 4.28Å; I1634-F1636 HydrophobicContact CG2-CE1 4.46Å; I1634-F1636 HydrophobicContact CG2-CE2 4.05Å; I1634-F1636 HydrophobicContact CG2-CZ 4.11Å; I1634-F1636 PolarHBondContact O-N 2.94Å; F1636-Y1642 WeakPolarHBondContact CD1-O 3.36Å; F1636-Y1642 VanDerWaalsContact CE1-O 3.24Å; F1636-Y1642 WeakPolarHBondContact CE1-O 3.37Å; F1636-K1644 HydrophobicContact CE2-CB 4.02Å; F1636-K1644 HydrophobicContact CZ-CB 4.19Å; F1636-P1781 HydrophobicContact CD2-CB 4.25Å; F1636-P1781 HydrophobicContact CE2-CB 3.58Å; F1636-P1781 HydrophobicContact CE2-CG 4.08Å; F1636-P1781 HydrophobicContact CZ-CB 3.96Å; F1636-I1784 HydrophobicContact CE2-CD1 4.41Å; F1636-I1784 HydrophobicContact CZ-CB 4.18Å; F1636-I1784 HydrophobicContact CZ-CG2 4.01Å; F1636-V1796 HydrophobicContact CB-CG1 4.01Å; F1636-V1796 HydrophobicContact CD1-CG1 4.17Å; F1636-V1796 HydrophobicContact CD1-CG2 4.16Å; F1636-V1796 HydrophobicContact CD2-CG1 3.99Å; F1636-V1796 HydrophobicContact CD2-CG2 4.08Å; F1636-V1796 HydrophobicContact CE1-CG2 3.88Å; F1636-V1796 HydrophobicContact CE2-CG2 3.79Å; F1636-V1796 HydrophobicContact CG-CG1 3.79Å; F1636-V1796 HydrophobicContact CG-CG2 4.26Å; F1636-V1796 HydrophobicContact CZ-CG2 3.7Å; F1636-L1800 HydrophobicContact CB-CD2 4.35Å | ||
| 1637 | S | 34.1 | Very low | 48 | Very low | 61.6 Ų | 61.6 | 105.2 Ų | 105.2 | 43% | 0.431 | 54% | 0.542 | S | S | . | . | trans | -101.9 | 147.5 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | I1598 V1600 Q1635 R1639 | I1598-S1637 WeakPolarHBondContact CB-OG 3.34Å; I1598-S1637 WeakPolarHBondContact CG2-OG 3.29Å; I1598-S1637 PolarHBondContact N-O 3.23Å; I1598-S1637 PolarHBondContact O-N 3.34Å; V1600-S1637 WeakPolarHBondContact CG2-OG 3.27Å; Q1635-S1637 PolarHBondContact O-N 3.24Å; S1637-R1639 VanDerWaalsContact C-N 3.27Å; S1637-R1639 PolarHBondContact O-N 3.3Å | ||
| 1638 | H | 40.8 | Very low | 50.7 | Low | 154.8 Ų | 154.8 | 103.2 Ų | 103.2 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -48.5 | 99.8 | -171.7 | -83.9 | -79.6 | 0 | 0 | 0 | 117 | F1640 G1641 Y1642 F1647 | H1638-F1640 VanDerWaalsContact C-N 3.33Å; H1638-F1640 PolarHBondContact O-N 2.91Å; H1638-G1641 PolarHBondContact O-N 3.29Å; H1638-G1641 VanDerWaalsContact O-N 3.08Å; H1638-Y1642 HydrophobicContact CB-CD2 4.24Å; H1638-Y1642 PolarHBondContact CD2-O 3.5Å; H1638-Y1642 PolarHBondContact NE2-O 3.05Å; H1638-F1647 AromaticContact CE1-CE2 3.47Å; H1638-F1647 VanDerWaalsContact CE1-CE2 3.47Å; H1638-F1647 WeakPolarHBondContact CE1-CE2 3.31Å; H1638-F1647 AromaticContact ND1-CE2 3.26Å; H1638-F1647 VanDerWaalsContact ND1-CE2 3.26Å; H1638-F1647 WeakPolarHBondContact ND1-CE2 3.3Å; H1638-F1647 AromaticContact ND1-CZ 3.6Å |
| 1639 | R | 41.9 | Very low | 53.5 | Low | 177.2 Ų | 177.2 | 95.8 Ų | 95.8 | 67% | 0.669 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.3 | -29.7 | 159.8 | -90.3 | -172.4 | -179.9 | -166 | 2.7 | 117.7 | Y1472 W1476 I1598 S1637 | Y1472-R1639 PolarHBondContact O-NE 2.9Å; Y1472-R1639 VanDerWaalsContact O-NE 3.09Å; Y1472-R1639 PolarHBondContact O-NH2 2.92Å; W1476-R1639 VanDerWaalsContact CE2-CD 3.48Å; W1476-R1639 HydrophobicContact CH2-CB 4.41Å; W1476-R1639 HydrophobicContact CZ2-CB 3.76Å; W1476-R1639 HydrophobicContact CZ2-CG 4.16Å; W1476-R1639 VanDerWaalsContact NE1-CZ 3.34Å; I1598-R1639 HydrophobicContact CD1-CB 3.71Å; I1598-R1639 HydrophobicContact CD1-CG 4.02Å; I1598-R1639 HydrophobicContact CG1-CB 3.89Å; S1637-R1639 VanDerWaalsContact C-N 3.27Å; S1637-R1639 PolarHBondContact O-N 3.3Å |
| 1640 | F | 49.5 | Very low | 56.3 | Low | 123.8 Ų | 123.8 | 90 Ų | 90 | 54% | 0.543 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 0.4 | -176.7 | -63.6 | -69 | 0 | 0 | 0 | 114.5 | L1496 N1498 H1638 Y1642 | L1496-F1640 VanDerWaalsContact O-CE2 3.32Å; L1496-F1640 WeakPolarHBondContact O-CE2 3.42Å; L1496-F1640 WeakPolarHBondContact O-CZ 3.44Å; N1498-F1640 PolarHBondContact ND2-O 3.14Å; N1498-F1640 WeakPolarHBondContact OD1-CB 2.98Å; N1498-F1640 WeakPolarHBondContact OD1-CD2 3.48Å; N1498-F1640 WeakPolarHBondContact OD1-CG 3.45Å; H1638-F1640 VanDerWaalsContact C-N 3.33Å; H1638-F1640 PolarHBondContact O-N 2.91Å; F1640-Y1642 VanDerWaalsContact C-N 3.28Å; F1640-Y1642 HydrophobicContact CB-CD2 4.48Å; F1640-Y1642 HydrophobicContact CB-CE2 4.19Å; F1640-Y1642 AromaticContact CD2-CE2 3.8Å; F1640-Y1642 HydrophobicContact CD2-CE2 3.8Å; F1640-Y1642 AromaticContact CD2-CZ 3.91Å; F1640-Y1642 HydrophobicContact CG-CE2 4.48Å; F1640-Y1642 PolarHBondContact O-N 3.49Å |
| 1641 | G | 55.5 | Low | 59 | Low | 36.2 Ų | 36.2 | 84.9 Ų | 84.9 | 37% | 0.373 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -76.5 | 109.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1638 S1643 | H1638-G1641 PolarHBondContact O-N 3.29Å; H1638-G1641 VanDerWaalsContact O-N 3.08Å; G1641-S1643 PolarHBondContact O-N 3.2Å |
| 1642 | Y | 68 | Low | 61.8 | Low | 10.2 Ų | 10.2 | 79.2 Ų | 79.2 | 4% | 0.04 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 127.1 | 174.7 | -68.8 | -81.5 | 0 | 0 | 0 | 111.4 | Q1497 N1498 L1595 P1596 F1636 H1638 F1640 E1646 F1647 | Q1497-Y1642 VanDerWaalsContact C-OH 3.23Å; Q1497-Y1642 PolarHBondContact O-OH 3.16Å; N1498-Y1642 HydrophobicContact CB-CD1 4.43Å; N1498-Y1642 HydrophobicContact CB-CE1 4.04Å; N1498-Y1642 VanDerWaalsContact CG-CE1 3.45Å; N1498-Y1642 PolarHBondContact N-OH 3.49Å; N1498-Y1642 VanDerWaalsContact ND2-CD1 3.35Å; N1498-Y1642 WeakPolarHBondContact ND2-CD1 3.47Å; N1498-Y1642 VanDerWaalsContact ND2-CE1 3.33Å; N1498-Y1642 WeakPolarHBondContact ND2-CE1 3.43Å; N1498-Y1642 WeakPolarHBondContact OD1-CE1 3.34Å; N1498-Y1642 PolarHBondContact OD1-OH 3.16Å; L1595-Y1642 HydrophobicContact CB-CD1 4.3Å; L1595-Y1642 HydrophobicContact CB-CD2 4.43Å; L1595-Y1642 HydrophobicContact CB-CE1 4.31Å; L1595-Y1642 HydrophobicContact CB-CE2 4.43Å; L1595-Y1642 HydrophobicContact CB-CG 4.41Å; L1595-Y1642 HydrophobicContact CD1-CD1 3.91Å; L1595-Y1642 HydrophobicContact CD1-CE1 4.31Å; L1595-Y1642 HydrophobicContact CD1-CG 4.3Å; L1595-Y1642 HydrophobicContact CD2-CD1 4.1Å; L1595-Y1642 HydrophobicContact CD2-CE1 3.66Å; L1595-Y1642 VanDerWaalsContact CD2-CE1 3.46Å; L1595-Y1642 HydrophobicContact CG-CD1 4.26Å; L1595-Y1642 HydrophobicContact CG-CE1 4.29Å; P1596-Y1642 WeakPolarHBondContact CD-OH 3.27Å; P1596-Y1642 HydrophobicContact CG-CE2 3.86Å; P1596-Y1642 VanDerWaalsContact O-CD2 3.25Å; P1596-Y1642 WeakPolarHBondContact O-CD2 3.34Å; P1596-Y1642 WeakPolarHBondContact O-CE2 3.46Å; F1636-Y1642 WeakPolarHBondContact CD1-O 3.36Å; F1636-Y1642 VanDerWaalsContact CE1-O 3.24Å; F1636-Y1642 WeakPolarHBondContact CE1-O 3.37Å; H1638-Y1642 HydrophobicContact CB-CD2 4.24Å; H1638-Y1642 PolarHBondContact CD2-O 3.5Å; H1638-Y1642 PolarHBondContact NE2-O 3.05Å; F1640-Y1642 VanDerWaalsContact C-N 3.28Å; F1640-Y1642 HydrophobicContact CB-CD2 4.48Å; F1640-Y1642 HydrophobicContact CB-CE2 4.19Å; F1640-Y1642 AromaticContact CD2-CE2 3.8Å; F1640-Y1642 HydrophobicContact CD2-CE2 3.8Å; F1640-Y1642 AromaticContact CD2-CZ 3.91Å; F1640-Y1642 HydrophobicContact CG-CE2 4.48Å; F1640-Y1642 PolarHBondContact O-N 3.49Å; Y1642-E1646 WeakPolarHBondContact CA-OE2 3.23Å; Y1642-E1646 HydrophobicContact CD1-CB 4.39Å; Y1642-E1646 VanDerWaalsContact CD1-OE2 3.24Å; Y1642-E1646 WeakPolarHBondContact CD1-OE2 3.34Å; Y1642-F1647 VanDerWaalsContact CB-CE2 3.45Å; Y1642-F1647 HydrophobicContact CD2-CZ 4.43Å; Y1642-F1647 HydrophobicContact CG-CE2 4.37Å; Y1642-F1647 HydrophobicContact CG-CZ 4.41Å; Y1642-F1647 WeakPolarHBondContact O-CE2 3.36Å |
| 1643 | S | 74.1 | Confident | 64.7 | Low | 32.8 Ų | 32.8 | 74.5 Ų | 74.5 | 23% | 0.229 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 156 | 174.8 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | G1641 R1645 E1646 F1647 | G1641-S1643 PolarHBondContact O-N 3.2Å; S1643-R1645 PolarHBondContact O-N 3.19Å; S1643-R1645 PolarHBondContact OG-N 3.08Å; S1643-E1646 WeakPolarHBondContact CA-OE2 3.34Å; S1643-E1646 VanDerWaalsContact CB-OE1 3.32Å; S1643-E1646 WeakPolarHBondContact CB-OE1 3.27Å; S1643-E1646 VanDerWaalsContact CB-OE2 3.24Å; S1643-E1646 WeakPolarHBondContact CB-OE2 3.4Å; S1643-E1646 VanDerWaalsContact N-CD 3.35Å; S1643-E1646 PolarHBondContact N-OE1 3.17Å; S1643-E1646 VanDerWaalsContact N-OE1 3.15Å; S1643-E1646 PolarHBondContact N-OE2 2.97Å; S1643-E1646 WeakPolarHBondContact O-CB 3.3Å; S1643-E1646 PolarHBondContact O-N 3.09Å; S1643-E1646 VanDerWaalsContact O-N 3.09Å; S1643-E1646 PolarHBondContact OG-N 3.19Å; S1643-E1646 PolarHBondContact OG-OE1 3.16Å; S1643-E1646 PolarHBondContact OG-OE2 3.25Å; S1643-F1647 WeakPolarHBondContact O-CD2 3.31Å; S1643-F1647 PolarHBondContact O-N 3.12Å |
| 1644 | K | 78.8 | Confident | 67.5 | Low | 95.6 Ų | 95.6 | 70 Ų | 70 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -54 | -24.2 | 169.9 | -170.8 | 162.5 | -169.4 | 173.7 | 0 | 113.8 | F1636 R1648 L1800 S1802 | F1636-K1644 HydrophobicContact CE2-CB 4.02Å; F1636-K1644 HydrophobicContact CZ-CB 4.19Å; K1644-R1648 WeakPolarHBondContact O-CD 3.43Å; K1644-R1648 VanDerWaalsContact O-CG 3.27Å; K1644-R1648 WeakPolarHBondContact O-CG 3.32Å; K1644-R1648 PolarHBondContact O-N 3.02Å; K1644-L1800 VanDerWaalsContact CD-O 3.29Å; K1644-L1800 WeakPolarHBondContact CD-O 3.4Å; K1644-L1800 VanDerWaalsContact CE-O 3.3Å; K1644-L1800 WeakPolarHBondContact CE-O 3.36Å; K1644-L1800 WeakPolarHBondContact CG-O 3.36Å; K1644-L1800 PolarHBondContact NZ-O 2.93Å; K1644-S1802 WeakPolarHBondContact CE-OG 3.28Å; K1644-S1802 VanDerWaalsContact NZ-CB 3.3Å; K1644-S1802 PolarHBondContact NZ-OG 3.16Å |
| 1645 | R | 81.3 | Confident | 70.1 | Confident | 205.8 Ų | 205.8 | 66.5 Ų | 66.5 | 78% | 0.777 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -73 | -39.6 | 175.7 | -65.6 | -179.2 | 179.3 | 173.8 | -0.9 | 111.6 | S1643 F1647 R1648 A1649 | S1643-R1645 PolarHBondContact O-N 3.19Å; S1643-R1645 PolarHBondContact OG-N 3.08Å; R1645-F1647 PolarHBondContact O-N 3.14Å; R1645-R1648 WeakPolarHBondContact O-CB 3.34Å; R1645-R1648 PolarHBondContact O-N 3.21Å; R1645-R1648 VanDerWaalsContact O-N 3.16Å; R1645-A1649 VanDerWaalsContact O-CB 3.27Å; R1645-A1649 WeakPolarHBondContact O-CB 3.36Å; R1645-A1649 PolarHBondContact O-N 3.08Å |
| 1646 | E | 82.2 | Confident | 72.7 | Confident | 44.6 Ų | 44.6 | 59.3 Ų | 59.3 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.9 | -72.8 | 148.6 | 151.2 | 0 | 0 | 112 | N1498 L1595 Y1642 S1643 R1648 A1649 N1650 | N1498-E1646 PolarHBondContact ND2-OE1 3.48Å; N1498-E1646 PolarHBondContact ND2-OE2 3.02Å; N1498-E1646 VanDerWaalsContact ND2-OE2 3.1Å; L1595-E1646 HydrophobicContact CD1-CB 4.14Å; Y1642-E1646 WeakPolarHBondContact CA-OE2 3.23Å; Y1642-E1646 HydrophobicContact CD1-CB 4.39Å; Y1642-E1646 VanDerWaalsContact CD1-OE2 3.24Å; Y1642-E1646 WeakPolarHBondContact CD1-OE2 3.34Å; S1643-E1646 WeakPolarHBondContact CA-OE2 3.34Å; S1643-E1646 VanDerWaalsContact CB-OE1 3.32Å; S1643-E1646 WeakPolarHBondContact CB-OE1 3.27Å; S1643-E1646 VanDerWaalsContact CB-OE2 3.24Å; S1643-E1646 WeakPolarHBondContact CB-OE2 3.4Å; S1643-E1646 VanDerWaalsContact N-CD 3.35Å; S1643-E1646 PolarHBondContact N-OE1 3.17Å; S1643-E1646 VanDerWaalsContact N-OE1 3.15Å; S1643-E1646 PolarHBondContact N-OE2 2.97Å; S1643-E1646 WeakPolarHBondContact O-CB 3.3Å; S1643-E1646 PolarHBondContact O-N 3.09Å; S1643-E1646 VanDerWaalsContact O-N 3.09Å; S1643-E1646 PolarHBondContact OG-N 3.19Å; S1643-E1646 PolarHBondContact OG-OE1 3.16Å; S1643-E1646 PolarHBondContact OG-OE2 3.25Å; E1646-R1648 VanDerWaalsContact C-N 3.31Å; E1646-R1648 PolarHBondContact O-N 2.99Å; E1646-A1649 PolarHBondContact O-N 3.09Å; E1646-A1649 VanDerWaalsContact O-N 3.13Å; E1646-N1650 WeakPolarHBondContact O-CB 3.3Å; E1646-N1650 PolarHBondContact O-N 2.98Å |
| 1647 | F | 83.5 | Confident | 75.2 | Confident | 3.8 Ų | 3.8 | 55.6 Ų | 55.6 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 173.3 | -74.7 | -78.8 | 0 | 0 | 0 | 112.6 | L1595 F1597 H1638 Y1642 S1643 R1645 N1650 Q1651 N1797 L1800 | L1595-F1647 HydrophobicContact CB-CD1 4.17Å; L1595-F1647 HydrophobicContact CB-CE1 3.73Å; L1595-F1647 HydrophobicContact CB-CZ 4.29Å; L1595-F1647 HydrophobicContact CD1-CD1 3.89Å; L1595-F1647 HydrophobicContact CD1-CD2 4.32Å; L1595-F1647 HydrophobicContact CD1-CE1 4.13Å; L1595-F1647 HydrophobicContact CD1-CE2 4.46Å; L1595-F1647 HydrophobicContact CD1-CG 4.09Å; L1595-F1647 HydrophobicContact CD1-CZ 4.45Å; L1595-F1647 HydrophobicContact CG-CD1 4.46Å; L1595-F1647 HydrophobicContact CG-CE1 4.49Å; F1597-F1647 HydrophobicContact CD2-CZ 4.34Å; H1638-F1647 AromaticContact CE1-CE2 3.47Å; H1638-F1647 VanDerWaalsContact CE1-CE2 3.47Å; H1638-F1647 WeakPolarHBondContact CE1-CE2 3.31Å; H1638-F1647 AromaticContact ND1-CE2 3.26Å; H1638-F1647 VanDerWaalsContact ND1-CE2 3.26Å; H1638-F1647 WeakPolarHBondContact ND1-CE2 3.3Å; H1638-F1647 AromaticContact ND1-CZ 3.6Å; Y1642-F1647 VanDerWaalsContact CB-CE2 3.45Å; Y1642-F1647 HydrophobicContact CD2-CZ 4.43Å; Y1642-F1647 HydrophobicContact CG-CE2 4.37Å; Y1642-F1647 HydrophobicContact CG-CZ 4.41Å; Y1642-F1647 WeakPolarHBondContact O-CE2 3.36Å; S1643-F1647 WeakPolarHBondContact O-CD2 3.31Å; S1643-F1647 PolarHBondContact O-N 3.12Å; R1645-F1647 PolarHBondContact O-N 3.14Å; F1647-N1650 PolarHBondContact O-N 3.21Å; F1647-Q1651 PolarHBondContact O-N 3.02Å; F1647-N1797 WeakPolarHBondContact CD1-OD1 3.22Å; F1647-L1800 HydrophobicContact CB-CB 4.49Å; F1647-L1800 HydrophobicContact CD1-CB 4.18Å; F1647-L1800 HydrophobicContact CD1-CD1 4.38Å; F1647-L1800 HydrophobicContact CD2-CB 4.04Å; F1647-L1800 HydrophobicContact CD2-CD1 4.37Å; F1647-L1800 HydrophobicContact CE1-CB 4.36Å; F1647-L1800 HydrophobicContact CE1-CD1 3.81Å; F1647-L1800 HydrophobicContact CE2-CB 4.3Å; F1647-L1800 HydrophobicContact CE2-CD1 3.85Å; F1647-L1800 HydrophobicContact CG-CB 3.99Å; F1647-L1800 HydrophobicContact CZ-CB 4.47Å; F1647-L1800 HydrophobicContact CZ-CD1 3.53Å; F1647-L1800 VanDerWaalsContact CZ-CD1 3.47Å |
| 1648 | R | 86.1 | Confident | 78 | Confident | 99.6 Ų | 99.6 | 52.7 Ų | 52.7 | 38% | 0.376 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.3 | -45.4 | 174.5 | -106.6 | 171.2 | 177.2 | -169.9 | -5.2 | 111.7 | K1644 R1645 E1646 N1650 Q1651 Y1652 S1801 S1802 L1803 | K1644-R1648 WeakPolarHBondContact O-CD 3.43Å; K1644-R1648 VanDerWaalsContact O-CG 3.27Å; K1644-R1648 WeakPolarHBondContact O-CG 3.32Å; K1644-R1648 PolarHBondContact O-N 3.02Å; R1645-R1648 WeakPolarHBondContact O-CB 3.34Å; R1645-R1648 PolarHBondContact O-N 3.21Å; R1645-R1648 VanDerWaalsContact O-N 3.16Å; E1646-R1648 VanDerWaalsContact C-N 3.31Å; E1646-R1648 PolarHBondContact O-N 2.99Å; R1648-N1650 VanDerWaalsContact C-N 3.32Å; R1648-N1650 PolarHBondContact O-N 3.25Å; R1648-Q1651 PolarHBondContact O-N 3.11Å; R1648-Q1651 VanDerWaalsContact O-N 3.1Å; R1648-Y1652 HydrophobicContact CB-CE2 4.38Å; R1648-Y1652 HydrophobicContact CG-CD2 3.89Å; R1648-Y1652 HydrophobicContact CG-CE2 3.49Å; R1648-Y1652 PolarHBondContact NE-OH 3.29Å; R1648-Y1652 PolarHBondContact NH2-OH 3.08Å; R1648-Y1652 VanDerWaalsContact O-CD2 3.26Å; R1648-Y1652 WeakPolarHBondContact O-CD2 3.34Å; R1648-Y1652 PolarHBondContact O-N 3.3Å; R1648-Y1652 VanDerWaalsContact O-N 3.1Å; R1648-S1801 WeakPolarHBondContact CG-O 3.28Å; R1648-S1801 PolarHBondContact NE-O 3.35Å; R1648-S1801 PolarHBondContact NH2-O 3.16Å; R1648-S1802 PolarHBondContact NH2-O 3.13Å; R1648-S1802 PolarHBondContact NH2-OG 3.17Å; R1648-S1802 VanDerWaalsContact NH2-OG 3.11Å; R1648-L1803 HydrophobicContact CB-CD1 3.97Å; R1648-L1803 HydrophobicContact CG-CD1 3.66Å; R1648-L1803 HydrophobicContact CG-CD2 4.23Å; R1648-L1803 HydrophobicContact CG-CG 4.17Å |
| 1649 | A | 86.2 | Confident | 80.4 | Confident | 10.4 Ų | 10.4 | 47.3 Ų | 47.3 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1501 I1505 R1645 E1646 Q1651 Y1652 V1653 | S1501-A1649 VanDerWaalsContact CB-CB 3.46Å; S1501-A1649 WeakPolarHBondContact OG-CB 3.17Å; I1505-A1649 HydrophobicContact CD1-CB 4.09Å; R1645-A1649 VanDerWaalsContact O-CB 3.27Å; R1645-A1649 WeakPolarHBondContact O-CB 3.36Å; R1645-A1649 PolarHBondContact O-N 3.08Å; E1646-A1649 PolarHBondContact O-N 3.09Å; E1646-A1649 VanDerWaalsContact O-N 3.13Å; A1649-Q1651 VanDerWaalsContact C-N 3.3Å; A1649-Q1651 PolarHBondContact O-N 3.34Å; A1649-Y1652 CarbonylContact O-C 3.47Å; A1649-Y1652 WeakPolarHBondContact O-CB 3.29Å; A1649-Y1652 PolarHBondContact O-N 3.26Å; A1649-Y1652 VanDerWaalsContact O-N 3.12Å; A1649-V1653 WeakPolarHBondContact O-CG2 3.41Å; A1649-V1653 PolarHBondContact O-N 3.08Å |
| 1650 | N | 87.7 | Confident | 82.8 | Confident | 1.4 Ų | 1.4 | 38.9 Ų | 38.9 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 173.2 | -173.3 | 63.5 | 0 | 0 | 0 | 112.1 | Y1495 Y1499 S1593 L1595 E1646 F1647 R1648 Y1652 V1653 Q1654 | Y1495-N1650 VanDerWaalsContact CE2-OD1 3.27Å; Y1495-N1650 WeakPolarHBondContact CE2-OD1 3.47Å; Y1499-N1650 PolarHBondContact OH-OD1 3.13Å; Y1499-N1650 VanDerWaalsContact OH-OD1 3.06Å; S1593-N1650 PolarHBondContact O-ND2 3.21Å; S1593-N1650 PolarHBondContact OG-OD1 2.96Å; L1595-N1650 HydrophobicContact CD1-CB 4.16Å; L1595-N1650 HydrophobicContact CD2-CB 4.41Å; L1595-N1650 HydrophobicContact CG-CB 4.19Å; E1646-N1650 WeakPolarHBondContact O-CB 3.3Å; E1646-N1650 PolarHBondContact O-N 2.98Å; F1647-N1650 PolarHBondContact O-N 3.21Å; R1648-N1650 VanDerWaalsContact C-N 3.32Å; R1648-N1650 PolarHBondContact O-N 3.25Å; N1650-Y1652 VanDerWaalsContact C-N 3.34Å; N1650-Y1652 PolarHBondContact O-N 3.16Å; N1650-V1653 WeakPolarHBondContact O-CB 3.33Å; N1650-V1653 PolarHBondContact O-N 3.13Å; N1650-Q1654 WeakPolarHBondContact O-CG 3.4Å; N1650-Q1654 PolarHBondContact O-N 2.99Å |
| 1651 | Q | 87.6 | Confident | 84.9 | Confident | 4.4 Ų | 4.4 | 33 Ų | 33 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -36 | 173.5 | -68.5 | -166.4 | 6.2 | 0 | 0 | 112.8 | F1647 R1648 A1649 V1653 Q1654 N1655 N1797 S1801 F1807 | F1647-Q1651 PolarHBondContact O-N 3.02Å; R1648-Q1651 PolarHBondContact O-N 3.11Å; R1648-Q1651 VanDerWaalsContact O-N 3.1Å; A1649-Q1651 VanDerWaalsContact C-N 3.3Å; A1649-Q1651 PolarHBondContact O-N 3.34Å; Q1651-V1653 VanDerWaalsContact C-N 3.34Å; Q1651-Q1654 WeakPolarHBondContact O-CB 3.26Å; Q1651-Q1654 PolarHBondContact O-N 3.09Å; Q1651-N1655 PolarHBondContact O-N 3.26Å; Q1651-N1655 VanDerWaalsContact O-N 3.14Å; Q1651-N1797 PolarHBondContact NE2-O 3.25Å; Q1651-S1801 VanDerWaalsContact CD-OG 3.3Å; Q1651-S1801 PolarHBondContact NE2-OG 3.14Å; Q1651-S1801 VanDerWaalsContact NE2-OG 3.08Å; Q1651-S1801 PolarHBondContact OE1-OG 2.86Å; Q1651-F1807 HydrophobicContact CB-CE1 3.98Å; Q1651-F1807 HydrophobicContact CB-CZ 4.27Å |
| 1652 | Y | 88.4 | Confident | 86.6 | Confident | 74.4 Ų | 74.4 | 31.8 Ų | 31.8 | 29% | 0.292 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 172 | -89.4 | -70.5 | 0 | 0 | 0 | 112.1 | P1259 I1505 R1648 A1649 N1650 Q1654 N1655 T1656 L1803 F1807 | P1259-Y1652 WeakPolarHBondContact CA-OH 3.45Å; P1259-Y1652 HydrophobicContact CB-CE1 3.88Å; P1259-Y1652 VanDerWaalsContact CB-OH 3.28Å; P1259-Y1652 WeakPolarHBondContact CB-OH 3.45Å; P1259-Y1652 HydrophobicContact CG-CE1 4.25Å; P1259-Y1652 WeakPolarHBondContact CG-OH 3.32Å; I1505-Y1652 HydrophobicContact CD1-CD1 3.96Å; I1505-Y1652 HydrophobicContact CG1-CD1 4.1Å; I1505-Y1652 HydrophobicContact CG2-CD1 4.2Å; I1505-Y1652 HydrophobicContact CG2-CE1 4.18Å; R1648-Y1652 HydrophobicContact CB-CE2 4.38Å; R1648-Y1652 HydrophobicContact CG-CD2 3.89Å; R1648-Y1652 HydrophobicContact CG-CE2 3.49Å; R1648-Y1652 PolarHBondContact NE-OH 3.29Å; R1648-Y1652 PolarHBondContact NH2-OH 3.08Å; R1648-Y1652 VanDerWaalsContact O-CD2 3.26Å; R1648-Y1652 WeakPolarHBondContact O-CD2 3.34Å; R1648-Y1652 PolarHBondContact O-N 3.3Å; R1648-Y1652 VanDerWaalsContact O-N 3.1Å; A1649-Y1652 CarbonylContact O-C 3.47Å; A1649-Y1652 WeakPolarHBondContact O-CB 3.29Å; A1649-Y1652 PolarHBondContact O-N 3.26Å; A1649-Y1652 VanDerWaalsContact O-N 3.12Å; N1650-Y1652 VanDerWaalsContact C-N 3.34Å; N1650-Y1652 PolarHBondContact O-N 3.16Å; Y1652-Q1654 VanDerWaalsContact C-N 3.34Å; Y1652-Q1654 PolarHBondContact O-N 3.08Å; Y1652-N1655 PolarHBondContact O-N 3.12Å; Y1652-T1656 WeakPolarHBondContact CD1-OG1 3.5Å; Y1652-T1656 VanDerWaalsContact CE1-OG1 3.26Å; Y1652-T1656 WeakPolarHBondContact CE1-OG1 3.07Å; Y1652-T1656 WeakPolarHBondContact O-CB 3.4Å; Y1652-T1656 WeakPolarHBondContact O-CG2 3.41Å; Y1652-T1656 PolarHBondContact O-N 3.18Å; Y1652-T1656 PolarHBondContact O-OG1 3.1Å; Y1652-T1656 VanDerWaalsContact O-OG1 3.05Å; Y1652-L1803 HydrophobicContact CE2-CD2 4.35Å; Y1652-F1807 HydrophobicContact CD1-CD2 4.49Å; Y1652-F1807 AromaticContact CD1-CE2 3.66Å; Y1652-F1807 HydrophobicContact CD1-CE2 3.66Å; Y1652-F1807 HydrophobicContact CD1-CZ 4.18Å; Y1652-F1807 HydrophobicContact CD2-CE2 4.32Å; Y1652-F1807 AromaticContact CE1-CD2 3.93Å; Y1652-F1807 HydrophobicContact CE1-CD2 4.03Å; Y1652-F1807 AromaticContact CE1-CE2 3.48Å; Y1652-F1807 HydrophobicContact CE1-CE2 3.48Å; Y1652-F1807 HydrophobicContact CE1-CZ 4.35Å; Y1652-F1807 HydrophobicContact CG-CE2 4.49Å |
| 1653 | V | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 173.8 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | V1504 I1505 F1508 Y1590 A1649 N1650 Q1651 N1655 T1656 A1657 | V1504-V1653 HydrophobicContact CB-CG2 4.43Å; V1504-V1653 HydrophobicContact CG1-CB 4.46Å; V1504-V1653 HydrophobicContact CG1-CG1 3.74Å; V1504-V1653 HydrophobicContact CG1-CG2 3.79Å; I1505-V1653 HydrophobicContact CD1-CG2 4.22Å; I1505-V1653 HydrophobicContact CG1-CG2 3.47Å; I1505-V1653 VanDerWaalsContact CG1-CG2 3.46Å; F1508-V1653 HydrophobicContact CD2-CG1 4.13Å; F1508-V1653 HydrophobicContact CE2-CG1 3.79Å; Y1590-V1653 HydrophobicContact CD1-CG1 3.41Å; Y1590-V1653 VanDerWaalsContact CD1-CG1 3.44Å; Y1590-V1653 HydrophobicContact CE1-CG1 4.09Å; Y1590-V1653 HydrophobicContact CG-CG1 4.06Å; A1649-V1653 WeakPolarHBondContact O-CG2 3.41Å; A1649-V1653 PolarHBondContact O-N 3.08Å; N1650-V1653 WeakPolarHBondContact O-CB 3.33Å; N1650-V1653 PolarHBondContact O-N 3.13Å; Q1651-V1653 VanDerWaalsContact C-N 3.34Å; V1653-N1655 VanDerWaalsContact C-N 3.33Å; V1653-N1655 PolarHBondContact O-N 3.31Å; V1653-T1656 PolarHBondContact O-N 3.07Å; V1653-T1656 PolarHBondContact O-OG1 3.31Å; V1653-A1657 WeakPolarHBondContact O-CB 3.34Å; V1653-A1657 PolarHBondContact O-N 3.02Å |
| 1654 | Q | 91.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.3 | -46.6 | 175.4 | -71.6 | 177.2 | -3.6 | 0 | 0 | 112.1 | Y1590 S1593 N1650 Q1651 Y1652 A1657 A1658 | Y1590-Q1654 WeakPolarHBondContact O-CG 3.4Å; S1593-Q1654 PolarHBondContact O-NE2 3.27Å; N1650-Q1654 WeakPolarHBondContact O-CG 3.4Å; N1650-Q1654 PolarHBondContact O-N 2.99Å; Q1651-Q1654 WeakPolarHBondContact O-CB 3.26Å; Q1651-Q1654 PolarHBondContact O-N 3.09Å; Y1652-Q1654 VanDerWaalsContact C-N 3.34Å; Y1652-Q1654 PolarHBondContact O-N 3.08Å; Q1654-A1657 PolarHBondContact O-N 3.47Å; Q1654-A1658 PolarHBondContact O-N 3.02Å; Q1654-A1658 VanDerWaalsContact O-N 3.17Å |
| 1655 | N | 90.7 | Very high | 89.1 | Confident | 13.6 Ų | 13.6 | 27.8 Ų | 27.8 | 7% | 0.073 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.8 | -42 | 179.4 | -178.8 | 78.4 | 0 | 0 | 0 | 112.3 | Q1651 Y1652 V1653 A1657 A1658 E1659 F1807 T1814 | Q1651-N1655 PolarHBondContact O-N 3.26Å; Q1651-N1655 VanDerWaalsContact O-N 3.14Å; Y1652-N1655 PolarHBondContact O-N 3.12Å; V1653-N1655 VanDerWaalsContact C-N 3.33Å; V1653-N1655 PolarHBondContact O-N 3.31Å; N1655-A1657 VanDerWaalsContact C-N 3.32Å; N1655-A1657 PolarHBondContact O-N 3.19Å; N1655-A1658 WeakPolarHBondContact O-CB 3.4Å; N1655-A1658 PolarHBondContact O-N 3.15Å; N1655-A1658 VanDerWaalsContact O-N 3.13Å; N1655-E1659 PolarHBondContact ND2-OE1 3.06Å; N1655-E1659 WeakPolarHBondContact O-CG 3.34Å; N1655-E1659 PolarHBondContact O-N 3.24Å; N1655-F1807 HydrophobicContact CB-CZ 4.27Å; N1655-T1814 VanDerWaalsContact OD1-CB 3.29Å; N1655-T1814 WeakPolarHBondContact OD1-CB 3.28Å; N1655-T1814 PolarHBondContact OD1-OG1 3.16Å |
| 1656 | T | 89.2 | Confident | 89.5 | Confident | 11.2 Ų | 11.2 | 22.5 Ų | 22.5 | 7% | 0.069 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | 179.1 | -37.8 | 0 | 0 | 0 | 0 | 112.1 | I1260 F1508 Y1652 V1653 A1658 E1659 I1660 | I1260-T1656 HydrophobicContact CD1-CG2 4.5Å; F1508-T1656 HydrophobicContact CB-CG2 3.91Å; Y1652-T1656 WeakPolarHBondContact CD1-OG1 3.5Å; Y1652-T1656 VanDerWaalsContact CE1-OG1 3.26Å; Y1652-T1656 WeakPolarHBondContact CE1-OG1 3.07Å; Y1652-T1656 WeakPolarHBondContact O-CB 3.4Å; Y1652-T1656 WeakPolarHBondContact O-CG2 3.41Å; Y1652-T1656 PolarHBondContact O-N 3.18Å; Y1652-T1656 PolarHBondContact O-OG1 3.1Å; Y1652-T1656 VanDerWaalsContact O-OG1 3.05Å; V1653-T1656 PolarHBondContact O-N 3.07Å; V1653-T1656 PolarHBondContact O-OG1 3.31Å; T1656-A1658 VanDerWaalsContact C-N 3.33Å; T1656-A1658 PolarHBondContact O-N 3.15Å; T1656-E1659 PolarHBondContact O-N 3.01Å; T1656-I1660 HydrophobicContact CG2-CD1 4.08Å; T1656-I1660 WeakPolarHBondContact O-CG1 3.28Å; T1656-I1660 PolarHBondContact O-N 3.14Å; T1656-I1660 VanDerWaalsContact O-N 3.08Å |
| 1657 | A | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1508 C1587 M1591 V1653 Q1654 N1655 E1659 I1660 L1661 | F1508-A1657 HydrophobicContact CE1-CB 4.39Å; F1508-A1657 HydrophobicContact CE2-CB 4.46Å; F1508-A1657 HydrophobicContact CZ-CB 4.21Å; C1587-A1657 HydrophobicContact CB-CB 4.32Å; M1591-A1657 HydrophobicContact CG-CB 3.87Å; V1653-A1657 WeakPolarHBondContact O-CB 3.34Å; V1653-A1657 PolarHBondContact O-N 3.02Å; Q1654-A1657 PolarHBondContact O-N 3.47Å; N1655-A1657 VanDerWaalsContact C-N 3.32Å; N1655-A1657 PolarHBondContact O-N 3.19Å; A1657-E1659 PolarHBondContact O-N 3.25Å; A1657-I1660 PolarHBondContact O-N 3.03Å; A1657-L1661 WeakPolarHBondContact O-CB 3.23Å; A1657-L1661 WeakPolarHBondContact O-CG 3.48Å; A1657-L1661 PolarHBondContact O-N 3.18Å |
| 1658 | A | 92.4 | Very high | 90 | Very high | 1.4 Ų | 1.4 | 21.7 Ų | 21.7 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.2 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1591 Q1654 N1655 T1656 I1660 L1661 T1662 T1814 L1815 L1818 | M1591-A1658 HydrophobicContact CE-CB 3.92Å; M1591-A1658 HydrophobicContact CG-CB 4.38Å; M1591-A1658 HydrophobicContact SD-CB 3.81Å; Q1654-A1658 PolarHBondContact O-N 3.02Å; Q1654-A1658 VanDerWaalsContact O-N 3.17Å; N1655-A1658 WeakPolarHBondContact O-CB 3.4Å; N1655-A1658 PolarHBondContact O-N 3.15Å; N1655-A1658 VanDerWaalsContact O-N 3.13Å; T1656-A1658 VanDerWaalsContact C-N 3.33Å; T1656-A1658 PolarHBondContact O-N 3.15Å; A1658-I1660 VanDerWaalsContact C-N 3.34Å; A1658-I1660 PolarHBondContact O-N 3.22Å; A1658-L1661 PolarHBondContact O-N 3.25Å; A1658-T1662 PolarHBondContact O-N 3.07Å; A1658-T1662 PolarHBondContact O-OG1 3.09Å; A1658-T1814 HydrophobicContact CB-CG2 3.75Å; A1658-L1815 HydrophobicContact CB-CD2 4.3Å; A1658-L1818 HydrophobicContact CB-CD2 4.16Å |
| 1659 | E | 91.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 17.9 Ų | 17.9 | 19% | 0.187 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 173.1 | -70.8 | 177.2 | -165.6 | 0 | 0 | 111.8 | R1512 N1655 T1656 A1657 L1661 T1662 L1663 T1814 | R1512-E1659 IonicContact CZ-OE2 2.84Å; R1512-E1659 IonicContact NH1-OE2 2.99Å; R1512-E1659 PolarHBondContact NH1-OE2 3.3Å; R1512-E1659 IonicContact NH2-OE2 3.23Å; R1512-E1659 PolarHBondContact NH2-OE2 3.1Å; N1655-E1659 PolarHBondContact ND2-OE1 3.06Å; N1655-E1659 WeakPolarHBondContact O-CG 3.34Å; N1655-E1659 PolarHBondContact O-N 3.24Å; T1656-E1659 PolarHBondContact O-N 3.01Å; A1657-E1659 PolarHBondContact O-N 3.25Å; E1659-L1661 PolarHBondContact O-N 3.4Å; E1659-T1662 VanDerWaalsContact O-CB 3.32Å; E1659-T1662 WeakPolarHBondContact O-CB 3.34Å; E1659-T1662 PolarHBondContact O-N 3.04Å; E1659-T1662 VanDerWaalsContact O-N 3.09Å; E1659-L1663 PolarHBondContact O-N 3.26Å; E1659-L1663 VanDerWaalsContact O-N 3.12Å; E1659-T1814 HydrophobicContact CG-CG2 3.68Å |
| 1660 | I | 92.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 177.2 | -72.4 | 165.8 | 0 | 0 | 0 | 111.4 | F1508 L1511 R1512 L1515 T1656 A1657 A1658 T1662 L1663 I1664 | F1508-I1660 HydrophobicContact CB-CD1 3.68Å; F1508-I1660 HydrophobicContact CD1-CD1 3.5Å; F1508-I1660 HydrophobicContact CE1-CD1 4.37Å; F1508-I1660 HydrophobicContact CG-CD1 3.99Å; F1508-I1660 VanDerWaalsContact O-CD1 3.24Å; F1508-I1660 WeakPolarHBondContact O-CD1 3.43Å; L1511-I1660 HydrophobicContact CB-CD1 4.31Å; R1512-I1660 HydrophobicContact CB-CD1 4.29Å; R1512-I1660 HydrophobicContact CB-CG1 4.06Å; L1515-I1660 HydrophobicContact CD1-CG2 3.81Å; T1656-I1660 HydrophobicContact CG2-CD1 4.08Å; T1656-I1660 WeakPolarHBondContact O-CG1 3.28Å; T1656-I1660 PolarHBondContact O-N 3.14Å; T1656-I1660 VanDerWaalsContact O-N 3.08Å; A1657-I1660 PolarHBondContact O-N 3.03Å; A1658-I1660 VanDerWaalsContact C-N 3.34Å; A1658-I1660 PolarHBondContact O-N 3.22Å; I1660-T1662 VanDerWaalsContact C-N 3.26Å; I1660-T1662 PolarHBondContact O-N 3.09Å; I1660-L1663 PolarHBondContact O-N 3.12Å; I1660-I1664 HydrophobicContact CG2-CD1 3.95Å; I1660-I1664 HydrophobicContact CG2-CG1 4.5Å; I1660-I1664 WeakPolarHBondContact O-CG1 3.35Å; I1660-I1664 PolarHBondContact O-N 3.36Å; I1660-I1664 VanDerWaalsContact O-N 3.08Å |
| 1661 | L | 93.1 | Very high | 89.4 | Confident | 0.2 Ų | 0.2 | 20.2 Ų | 20.2 | 0% | 0.001 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -34.9 | 173.8 | -89 | 156.1 | 0 | 0 | 0 | 112.1 | I1584 C1587 L1588 M1591 A1657 A1658 E1659 L1663 I1664 V1665 L1751 L1818 | I1584-L1661 HydrophobicContact CB-CD1 4.2Å; I1584-L1661 HydrophobicContact CB-CD2 4.2Å; I1584-L1661 HydrophobicContact CG1-CD1 4.08Å; I1584-L1661 HydrophobicContact CG1-CD2 4.07Å; I1584-L1661 HydrophobicContact CG2-CD1 4.03Å; I1584-L1661 HydrophobicContact CG2-CD2 3.92Å; C1587-L1661 HydrophobicContact CB-CD1 3.64Å; C1587-L1661 HydrophobicContact CB-CD2 3.98Å; C1587-L1661 HydrophobicContact CB-CG 3.78Å; L1588-L1661 HydrophobicContact CD2-CD1 3.82Å; L1588-L1661 HydrophobicContact CD2-CD2 3.52Å; L1588-L1661 HydrophobicContact CG-CD1 4.23Å; L1588-L1661 HydrophobicContact CG-CD2 3.94Å; M1591-L1661 HydrophobicContact SD-CD1 3.57Å; M1591-L1661 VanDerWaalsContact SD-CD1 3.57Å; M1591-L1661 HydrophobicContact SD-CD2 3.94Å; A1657-L1661 WeakPolarHBondContact O-CB 3.23Å; A1657-L1661 WeakPolarHBondContact O-CG 3.48Å; A1657-L1661 PolarHBondContact O-N 3.18Å; A1658-L1661 PolarHBondContact O-N 3.25Å; E1659-L1661 PolarHBondContact O-N 3.4Å; L1661-L1663 PolarHBondContact O-N 3.39Å; L1661-I1664 HydrophobicContact CD1-CD1 4.49Å; L1661-I1664 PolarHBondContact O-N 3.15Å; L1661-V1665 WeakPolarHBondContact O-CB 3.42Å; L1661-V1665 VanDerWaalsContact O-CG2 3.25Å; L1661-V1665 WeakPolarHBondContact O-CG2 3.37Å; L1661-V1665 PolarHBondContact O-N 3.08Å; L1661-L1751 HydrophobicContact CD1-CD1 4.44Å; L1661-L1751 HydrophobicContact CD2-CD1 4.16Å; L1661-L1751 HydrophobicContact CG-CD1 4.11Å; L1661-L1818 HydrophobicContact CB-CD1 3.75Å; L1661-L1818 HydrophobicContact CB-CD2 4.14Å; L1661-L1818 HydrophobicContact CD1-CD2 4.43Å |
| 1662 | T | 92.4 | Very high | 88.9 | Confident | 12.4 Ų | 12.4 | 21.1 Ų | 21.1 | 8% | 0.076 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 176.8 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | A1658 E1659 I1660 I1664 V1665 E1666 K1817 L1818 A1821 | A1658-T1662 PolarHBondContact O-N 3.07Å; A1658-T1662 PolarHBondContact O-OG1 3.09Å; E1659-T1662 VanDerWaalsContact O-CB 3.32Å; E1659-T1662 WeakPolarHBondContact O-CB 3.34Å; E1659-T1662 PolarHBondContact O-N 3.04Å; E1659-T1662 VanDerWaalsContact O-N 3.09Å; I1660-T1662 VanDerWaalsContact C-N 3.26Å; I1660-T1662 PolarHBondContact O-N 3.09Å; T1662-I1664 VanDerWaalsContact C-N 3.33Å; T1662-I1664 PolarHBondContact O-N 3.17Å; T1662-V1665 PolarHBondContact O-N 3.21Å; T1662-E1666 HydrophobicContact CG2-CG 4.43Å; T1662-E1666 WeakPolarHBondContact O-CB 3.3Å; T1662-E1666 VanDerWaalsContact O-CG 3.3Å; T1662-E1666 WeakPolarHBondContact O-CG 3.37Å; T1662-E1666 PolarHBondContact O-N 3.01Å; T1662-K1817 HydrophobicContact CG2-CB 4.43Å; T1662-L1818 WeakPolarHBondContact OG1-CB 3.42Å; T1662-A1821 HydrophobicContact CG2-CB 4.48Å |
| 1663 | L | 91 | Very high | 88.1 | Confident | 50.8 Ų | 50.8 | 20.8 Ų | 20.8 | 27% | 0.266 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.8 | -65.3 | 172.5 | 0 | 0 | 0 | 112.9 | R1512 L1515 E1659 I1660 L1661 Q1667 | R1512-L1663 HydrophobicContact CG-CD1 4.25Å; L1515-L1663 HydrophobicContact CB-CB 4.46Å; L1515-L1663 HydrophobicContact CB-CD1 4.17Å; L1515-L1663 HydrophobicContact CD1-CB 4.36Å; E1659-L1663 PolarHBondContact O-N 3.26Å; E1659-L1663 VanDerWaalsContact O-N 3.12Å; I1660-L1663 PolarHBondContact O-N 3.12Å; L1661-L1663 PolarHBondContact O-N 3.39Å; L1663-Q1667 WeakPolarHBondContact O-CB 3.4Å; L1663-Q1667 WeakPolarHBondContact O-CG 3.39Å; L1663-Q1667 PolarHBondContact O-N 3.14Å; L1663-Q1667 VanDerWaalsContact O-N 3.13Å |
| 1664 | I | 91.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.2 | -68.6 | 168 | 0 | 0 | 0 | 110.5 | L1515 L1580 I1583 I1584 I1660 L1661 T1662 Q1667 L1668 | L1515-I1664 HydrophobicContact CD1-CD1 4.31Å; L1515-I1664 HydrophobicContact CD1-CG1 3.91Å; L1515-I1664 HydrophobicContact CD2-CG1 4.03Å; L1580-I1664 HydrophobicContact CD1-CG2 3.87Å; I1583-I1664 HydrophobicContact CG2-CD1 4.11Å; I1584-I1664 HydrophobicContact CD1-CG2 4.31Å; I1584-I1664 HydrophobicContact CG1-CG2 4.33Å; I1660-I1664 HydrophobicContact CG2-CD1 3.95Å; I1660-I1664 HydrophobicContact CG2-CG1 4.5Å; I1660-I1664 WeakPolarHBondContact O-CG1 3.35Å; I1660-I1664 PolarHBondContact O-N 3.36Å; I1660-I1664 VanDerWaalsContact O-N 3.08Å; L1661-I1664 HydrophobicContact CD1-CD1 4.49Å; L1661-I1664 PolarHBondContact O-N 3.15Å; T1662-I1664 VanDerWaalsContact C-N 3.33Å; T1662-I1664 PolarHBondContact O-N 3.17Å; I1664-Q1667 PolarHBondContact O-N 3.07Å; I1664-Q1667 VanDerWaalsContact O-N 3.15Å; I1664-L1668 HydrophobicContact CG2-CD1 4.23Å; I1664-L1668 WeakPolarHBondContact O-CG 3.32Å; I1664-L1668 PolarHBondContact O-N 3.36Å |
| 1665 | V | 90.4 | Very high | 85.3 | Confident | 1.2 Ų | 1.2 | 26.3 Ų | 26.3 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | L1661 T1662 Q1667 L1668 I1669 L1751 L1818 A1821 I1822 L1825 | L1661-V1665 WeakPolarHBondContact O-CB 3.42Å; L1661-V1665 VanDerWaalsContact O-CG2 3.25Å; L1661-V1665 WeakPolarHBondContact O-CG2 3.37Å; L1661-V1665 PolarHBondContact O-N 3.08Å; T1662-V1665 PolarHBondContact O-N 3.21Å; V1665-Q1667 VanDerWaalsContact C-N 3.27Å; V1665-Q1667 PolarHBondContact O-N 3.24Å; V1665-L1668 WeakPolarHBondContact O-CA 3.44Å; V1665-L1668 WeakPolarHBondContact O-CB 3.39Å; V1665-L1668 PolarHBondContact O-N 2.96Å; V1665-L1668 VanDerWaalsContact O-N 3.12Å; V1665-I1669 HydrophobicContact CG1-CD1 4.4Å; V1665-I1669 WeakPolarHBondContact O-CG1 3.4Å; V1665-I1669 PolarHBondContact O-N 3.38Å; V1665-L1751 HydrophobicContact CG2-CD2 3.83Å; V1665-L1818 HydrophobicContact CG2-CD1 4.34Å; V1665-A1821 HydrophobicContact CB-CB 4.23Å; V1665-A1821 VanDerWaalsContact CG1-C 3.43Å; V1665-A1821 HydrophobicContact CG1-CB 3.58Å; V1665-A1821 VanDerWaalsContact CG1-O 3.26Å; V1665-A1821 WeakPolarHBondContact CG1-O 3.43Å; V1665-I1822 HydrophobicContact CG1-CG1 4.24Å; V1665-I1822 HydrophobicContact CG2-CG1 4.25Å; V1665-L1825 HydrophobicContact CG1-CB 4.14Å; V1665-L1825 HydrophobicContact CG1-CD1 3.9Å; V1665-L1825 HydrophobicContact CG1-CD2 4.05Å; V1665-L1825 HydrophobicContact CG1-CG 4.19Å |
| 1666 | E | 89.8 | Confident | 83.5 | Confident | 95.6 Ų | 95.6 | 30.4 Ų | 30.4 | 45% | 0.447 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57.2 | -37.1 | 173.1 | -75.4 | 172.1 | 173 | 0 | 0 | 112.2 | T1662 I1669 S1670 A1821 | T1662-E1666 HydrophobicContact CG2-CG 4.43Å; T1662-E1666 WeakPolarHBondContact O-CB 3.3Å; T1662-E1666 VanDerWaalsContact O-CG 3.3Å; T1662-E1666 WeakPolarHBondContact O-CG 3.37Å; T1662-E1666 PolarHBondContact O-N 3.01Å; E1666-I1669 WeakPolarHBondContact O-CB 3.39Å; E1666-I1669 PolarHBondContact O-N 2.98Å; E1666-S1670 PolarHBondContact O-N 3.09Å; E1666-S1670 VanDerWaalsContact O-N 3.09Å; E1666-A1821 HydrophobicContact CG-CB 4.38Å |
| 1667 | Q | 87.9 | Confident | 81.4 | Confident | 28.4 Ų | 28.4 | 33.9 Ų | 33.9 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.7 | -31.2 | 174.4 | -134.1 | 16.4 | 27.2 | 0 | 0 | 113.7 | P1519 G1520 V1523 L1663 I1664 V1665 I1669 S1670 I1671 | P1519-Q1667 HydrophobicContact CB-CB 4.38Å; P1519-Q1667 VanDerWaalsContact CB-CD 3.49Å; P1519-Q1667 HydrophobicContact CB-CG 4.06Å; G1520-Q1667 VanDerWaalsContact CA-NE2 3.29Å; V1523-Q1667 HydrophobicContact CB-CB 4.41Å; V1523-Q1667 HydrophobicContact CB-CG 3.9Å; V1523-Q1667 HydrophobicContact CG1-CG 4.44Å; V1523-Q1667 HydrophobicContact CG2-CB 3.98Å; V1523-Q1667 HydrophobicContact CG2-CG 4Å; L1663-Q1667 WeakPolarHBondContact O-CB 3.4Å; L1663-Q1667 WeakPolarHBondContact O-CG 3.39Å; L1663-Q1667 PolarHBondContact O-N 3.14Å; L1663-Q1667 VanDerWaalsContact O-N 3.13Å; I1664-Q1667 PolarHBondContact O-N 3.07Å; I1664-Q1667 VanDerWaalsContact O-N 3.15Å; V1665-Q1667 VanDerWaalsContact C-N 3.27Å; V1665-Q1667 PolarHBondContact O-N 3.24Å; Q1667-I1669 VanDerWaalsContact C-N 3.31Å; Q1667-S1670 PolarHBondContact NE2-OG 3.14Å; Q1667-S1670 PolarHBondContact O-N 3.29Å; Q1667-I1671 HydrophobicContact CG-CD1 4.28Å; Q1667-I1671 WeakPolarHBondContact O-CB 3.36Å; Q1667-I1671 WeakPolarHBondContact O-CD1 3.37Å; Q1667-I1671 VanDerWaalsContact O-CG1 3.28Å; Q1667-I1671 WeakPolarHBondContact O-CG1 3.27Å; Q1667-I1671 PolarHBondContact O-N 3.18Å |
| 1668 | L | 86.4 | Confident | 78.9 | Confident | 2.2 Ų | 2.2 | 37.9 Ų | 37.9 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -35.1 | 171.5 | -70.1 | 172.5 | 0 | 0 | 0 | 111.6 | V1523 L1580 I1664 V1665 I1671 Q1672 L1741 V1742 L1825 | V1523-L1668 HydrophobicContact CG1-CD2 3.93Å; V1523-L1668 HydrophobicContact CG1-CG 4.34Å; L1580-L1668 HydrophobicContact CD2-CD2 4.09Å; I1664-L1668 HydrophobicContact CG2-CD1 4.23Å; I1664-L1668 WeakPolarHBondContact O-CG 3.32Å; I1664-L1668 PolarHBondContact O-N 3.36Å; V1665-L1668 WeakPolarHBondContact O-CA 3.44Å; V1665-L1668 WeakPolarHBondContact O-CB 3.39Å; V1665-L1668 PolarHBondContact O-N 2.96Å; V1665-L1668 VanDerWaalsContact O-N 3.12Å; L1668-I1671 HydrophobicContact CD2-CD1 4.48Å; L1668-I1671 PolarHBondContact O-N 2.88Å; L1668-Q1672 VanDerWaalsContact O-CB 3.29Å; L1668-Q1672 WeakPolarHBondContact O-CB 3.38Å; L1668-Q1672 PolarHBondContact O-N 3.16Å; L1668-L1741 HydrophobicContact CD2-CD2 4.33Å; L1668-V1742 HydrophobicContact CB-CG2 4.39Å; L1668-V1742 HydrophobicContact CD2-CG2 4.27Å; L1668-L1825 HydrophobicContact CB-CD1 3.99Å; L1668-L1825 HydrophobicContact CB-CD2 3.94Å; L1668-L1825 HydrophobicContact CD1-CD2 4.25Å |
| 1669 | I | 85.2 | Confident | 76.6 | Confident | 19.4 Ų | 19.4 | 41.1 Ų | 41.1 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -52 | 169.8 | -65.6 | 162.8 | 0 | 0 | 0 | 109.7 | V1665 E1666 Q1667 I1671 Q1672 D1673 A1821 H1824 L1825 | V1665-I1669 HydrophobicContact CG1-CD1 4.4Å; V1665-I1669 WeakPolarHBondContact O-CG1 3.4Å; V1665-I1669 PolarHBondContact O-N 3.38Å; E1666-I1669 WeakPolarHBondContact O-CB 3.39Å; E1666-I1669 PolarHBondContact O-N 2.98Å; Q1667-I1669 VanDerWaalsContact C-N 3.31Å; I1669-I1671 VanDerWaalsContact C-N 3.3Å; I1669-I1671 PolarHBondContact O-N 3.01Å; I1669-Q1672 CarbonylContact O-C 3.53Å; I1669-Q1672 WeakPolarHBondContact O-CA 3.44Å; I1669-Q1672 VanDerWaalsContact O-CB 3.32Å; I1669-Q1672 WeakPolarHBondContact O-CB 3.35Å; I1669-Q1672 PolarHBondContact O-N 3.02Å; I1669-D1673 VanDerWaalsContact CG2-OD2 3.25Å; I1669-D1673 WeakPolarHBondContact CG2-OD2 3.43Å; I1669-D1673 PolarHBondContact O-N 3.03Å; I1669-A1821 HydrophobicContact CD1-CB 4.38Å; I1669-A1821 WeakPolarHBondContact CD1-O 3.33Å; I1669-H1824 HydrophobicContact CD1-CB 3.64Å; I1669-H1824 VanDerWaalsContact CD1-CB 3.42Å; I1669-H1824 WeakPolarHBondContact CD1-ND1 3.4Å; I1669-H1824 HydrophobicContact CG1-CB 4.07Å; I1669-H1824 HydrophobicContact CG2-CB 4.46Å; I1669-H1824 WeakPolarHBondContact CG2-CE1 3.33Å; I1669-H1824 WeakPolarHBondContact CG2-ND1 3.48Å; I1669-L1825 HydrophobicContact CB-CD2 4.32Å; I1669-L1825 HydrophobicContact CD1-CB 4.47Å; I1669-L1825 HydrophobicContact CG1-CB 3.94Å; I1669-L1825 HydrophobicContact CG1-CD1 3.95Å; I1669-L1825 HydrophobicContact CG1-CD2 3.56Å; I1669-L1825 HydrophobicContact CG1-CG 4.15Å |
| 1670 | S | 84.4 | Confident | 74.2 | Confident | 44.2 Ų | 44.2 | 45.1 Ų | 45.1 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.1 | -41.1 | 178.4 | 167.8 | 0 | 0 | 0 | 0 | 112.9 | E1666 Q1667 Q1672 D1673 E1674 | E1666-S1670 PolarHBondContact O-N 3.09Å; E1666-S1670 VanDerWaalsContact O-N 3.09Å; Q1667-S1670 PolarHBondContact NE2-OG 3.14Å; Q1667-S1670 PolarHBondContact O-N 3.29Å; S1670-Q1672 VanDerWaalsContact C-N 3.33Å; S1670-Q1672 PolarHBondContact O-N 3.42Å; S1670-D1673 PolarHBondContact O-N 3.01Å; S1670-E1674 WeakPolarHBondContact O-CB 3.4Å; S1670-E1674 VanDerWaalsContact O-CG 3.29Å; S1670-E1674 WeakPolarHBondContact O-CG 3.44Å; S1670-E1674 PolarHBondContact O-N 3.26Å; S1670-E1674 VanDerWaalsContact O-N 3.1Å |
| 1671 | I | 79.5 | Confident | 71.8 | Confident | 16.2 Ų | 16.2 | 48.5 Ų | 48.5 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -37 | 175.7 | -69.6 | 162.2 | 0 | 0 | 0 | 111.3 | V1523 R1524 Q1667 L1668 I1669 C1675 | V1523-I1671 HydrophobicContact CB-CD1 4.33Å; V1523-I1671 HydrophobicContact CG1-CD1 3.86Å; R1524-I1671 HydrophobicContact CG-CD1 3.95Å; R1524-I1671 HydrophobicContact CG-CG1 4.32Å; Q1667-I1671 HydrophobicContact CG-CD1 4.28Å; Q1667-I1671 WeakPolarHBondContact O-CB 3.36Å; Q1667-I1671 WeakPolarHBondContact O-CD1 3.37Å; Q1667-I1671 VanDerWaalsContact O-CG1 3.28Å; Q1667-I1671 WeakPolarHBondContact O-CG1 3.27Å; Q1667-I1671 PolarHBondContact O-N 3.18Å; L1668-I1671 HydrophobicContact CD2-CD1 4.48Å; L1668-I1671 PolarHBondContact O-N 2.88Å; I1669-I1671 VanDerWaalsContact C-N 3.3Å; I1669-I1671 PolarHBondContact O-N 3.01Å; I1671-C1675 PolarHBondContact O-SG 3.03Å |
| 1672 | Q | 75.7 | Confident | 69.2 | Low | 24.6 Ų | 24.6 | 52.6 Ų | 52.6 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68 | -44.7 | 175.4 | 179.3 | 166.4 | -51.4 | 0 | 0 | 111.7 | L1668 I1669 S1670 C1675 F1676 V1742 L1825 | L1668-Q1672 VanDerWaalsContact O-CB 3.29Å; L1668-Q1672 WeakPolarHBondContact O-CB 3.38Å; L1668-Q1672 PolarHBondContact O-N 3.16Å; I1669-Q1672 CarbonylContact O-C 3.53Å; I1669-Q1672 WeakPolarHBondContact O-CA 3.44Å; I1669-Q1672 VanDerWaalsContact O-CB 3.32Å; I1669-Q1672 WeakPolarHBondContact O-CB 3.35Å; I1669-Q1672 PolarHBondContact O-N 3.02Å; S1670-Q1672 VanDerWaalsContact C-N 3.33Å; S1670-Q1672 PolarHBondContact O-N 3.42Å; Q1672-C1675 CarbonylContact O-C 3.56Å; Q1672-C1675 VanDerWaalsContact O-CA 3.29Å; Q1672-C1675 WeakPolarHBondContact O-CA 3.4Å; Q1672-C1675 VanDerWaalsContact O-CB 3.28Å; Q1672-C1675 WeakPolarHBondContact O-CB 3.28Å; Q1672-C1675 PolarHBondContact O-N 3.2Å; Q1672-F1676 HydrophobicContact CG-CD2 4.09Å; Q1672-F1676 HydrophobicContact CG-CE2 3.85Å; Q1672-F1676 VanDerWaalsContact O-CD2 3.28Å; Q1672-F1676 WeakPolarHBondContact O-CD2 3.43Å; Q1672-F1676 PolarHBondContact O-N 3.13Å; Q1672-V1742 HydrophobicContact CB-CG2 4.48Å; Q1672-L1825 PolarHBondContact NE2-O 2.85Å |
| 1673 | D | 71.9 | Confident | 66.7 | Low | 66.8 Ų | 66.8 | 55.3 Ų | 55.3 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.2 | -33.6 | -175.8 | -68.9 | -21.1 | 0 | 0 | 0 | 113 | I1669 S1670 C1675 F1676 N1677 H1824 | I1669-D1673 VanDerWaalsContact CG2-OD2 3.25Å; I1669-D1673 WeakPolarHBondContact CG2-OD2 3.43Å; I1669-D1673 PolarHBondContact O-N 3.03Å; S1670-D1673 PolarHBondContact O-N 3.01Å; D1673-C1675 PolarHBondContact O-N 3.2Å; D1673-F1676 WeakPolarHBondContact O-CA 3.37Å; D1673-F1676 PolarHBondContact O-N 3.02Å; D1673-N1677 PolarHBondContact O-N 2.83Å; D1673-N1677 PolarHBondContact O-ND2 3.37Å; D1673-N1677 VanDerWaalsContact O-ND2 3.1Å; D1673-H1824 IonicContact OD2-CE1 3.75Å |
| 1674 | E | 65.5 | Low | 64.3 | Low | 107.2 Ų | 107.2 | 57 Ų | 57 | 50% | 0.501 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55 | -34 | 165.3 | -79.3 | 175.3 | -144.9 | 0 | 0 | 111.7 | R1524 S1670 F1676 | R1524-E1674 IonicContact CZ-OE1 3.19Å; R1524-E1674 IonicContact CZ-OE2 3.13Å; R1524-E1674 IonicContact NH2-OE1 3.36Å; R1524-E1674 PolarHBondContact NH2-OE1 3.16Å; R1524-E1674 IonicContact NH2-OE2 2.91Å; R1524-E1674 PolarHBondContact NH2-OE2 3.22Å; S1670-E1674 WeakPolarHBondContact O-CB 3.4Å; S1670-E1674 VanDerWaalsContact O-CG 3.29Å; S1670-E1674 WeakPolarHBondContact O-CG 3.44Å; S1670-E1674 PolarHBondContact O-N 3.26Å; S1670-E1674 VanDerWaalsContact O-N 3.1Å; E1674-F1676 VanDerWaalsContact C-N 3.31Å; E1674-F1676 PolarHBondContact O-N 3.19Å |
| 1675 | C | 58 | Low | 61.8 | Low | 15.8 Ų | 15.8 | 62.9 Ų | 62.9 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.3 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 114.1 | I1671 Q1672 D1673 Q1735 R1739 | I1671-C1675 PolarHBondContact O-SG 3.03Å; Q1672-C1675 CarbonylContact O-C 3.56Å; Q1672-C1675 VanDerWaalsContact O-CA 3.29Å; Q1672-C1675 WeakPolarHBondContact O-CA 3.4Å; Q1672-C1675 VanDerWaalsContact O-CB 3.28Å; Q1672-C1675 WeakPolarHBondContact O-CB 3.28Å; Q1672-C1675 PolarHBondContact O-N 3.2Å; D1673-C1675 PolarHBondContact O-N 3.2Å; C1675-Q1735 HydrophobicContact CB-CB 4.23Å; C1675-Q1735 HydrophobicContact CB-CG 4.16Å; C1675-Q1735 VanDerWaalsContact O-CD 3.32Å; C1675-Q1735 PolarHBondContact O-NE2 3.34Å; C1675-R1739 HydrophobicContact CB-CG 4.41Å; C1675-R1739 PolarHBondContact O-NH2 3.16Å |
| 1676 | F | 52.1 | Low | 59.5 | Low | 98.6 Ų | 98.6 | 70.3 Ų | 70.3 | 43% | 0.432 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -11.7 | 176.7 | -90.5 | -82.4 | 0 | 0 | 0 | 114.3 | Q1672 D1673 E1674 P1678 R1739 | Q1672-F1676 HydrophobicContact CG-CD2 4.09Å; Q1672-F1676 HydrophobicContact CG-CE2 3.85Å; Q1672-F1676 VanDerWaalsContact O-CD2 3.28Å; Q1672-F1676 WeakPolarHBondContact O-CD2 3.43Å; Q1672-F1676 PolarHBondContact O-N 3.13Å; D1673-F1676 WeakPolarHBondContact O-CA 3.37Å; D1673-F1676 PolarHBondContact O-N 3.02Å; E1674-F1676 VanDerWaalsContact C-N 3.31Å; E1674-F1676 PolarHBondContact O-N 3.19Å; F1676-P1678 WeakPolarHBondContact O-CD 3.38Å; F1676-P1678 WeakPolarHBondContact O-CG 3.05Å; F1676-P1678 VanDerWaalsContact O-N 3.09Å; F1676-R1739 VanDerWaalsContact CD1-NH2 3.31Å; F1676-R1739 VanDerWaalsContact CE1-NH2 3.31Å; F1676-R1739 VanDerWaalsContact CZ-CZ 3.44Å; F1676-R1739 VanDerWaalsContact CZ-NH1 3.34Å |
| 1677 | N | 46.4 | Very low | 57.1 | Low | 85.2 Ų | 85.2 | 69.6 Ų | 69.6 | 46% | 0.456 | 38% | 0.382 | S | S | . | . | trans | -81.7 | 101.4 | -177.3 | -88.7 | -59.6 | 0 | 0 | 0 | 113.7 | D1673 S1679 | D1673-N1677 PolarHBondContact O-N 2.83Å; D1673-N1677 PolarHBondContact O-ND2 3.37Å; D1673-N1677 VanDerWaalsContact O-ND2 3.1Å; N1677-S1679 VanDerWaalsContact C-N 3.29Å; N1677-S1679 PolarHBondContact O-N 3.19Å; N1677-S1679 PolarHBondContact OD1-OG 3.15Å | ||
| 1678 | P | 40.1 | Very low | 54.6 | Low | 84.6 Ų | 84.6 | 75.1 Ų | 75.1 | 55% | 0.549 | 41% | 0.412 | S | S | . | . | trans | -82.1 | -6.1 | 176.8 | 11.8 | -0.7 | 0 | 0 | 0 | 113.2 | F1676 L1680 I1681 N1682 | F1676-P1678 WeakPolarHBondContact O-CD 3.38Å; F1676-P1678 WeakPolarHBondContact O-CG 3.05Å; F1676-P1678 VanDerWaalsContact O-N 3.09Å; P1678-L1680 PolarHBondContact O-N 3.21Å; P1678-I1681 PolarHBondContact O-N 3.2Å; P1678-I1681 VanDerWaalsContact O-N 3.1Å; P1678-N1682 WeakPolarHBondContact O-CB 3.48Å; P1678-N1682 PolarHBondContact O-N 3.19Å; P1678-N1682 PolarHBondContact O-ND2 3.25Å | ||
| 1679 | S | 43 | Very low | 52.1 | Low | 68.2 Ų | 68.2 | 79.9 Ų | 79.9 | 48% | 0.477 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.6 | -38.1 | -171.7 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | N1677 I1681 N1682 S1683 | N1677-S1679 VanDerWaalsContact C-N 3.29Å; N1677-S1679 PolarHBondContact O-N 3.19Å; N1677-S1679 PolarHBondContact OD1-OG 3.15Å; S1679-I1681 VanDerWaalsContact C-N 3.3Å; S1679-I1681 PolarHBondContact O-N 3.04Å; S1679-N1682 PolarHBondContact O-N 3.14Å; S1679-S1683 WeakPolarHBondContact O-CB 3.25Å; S1679-S1683 PolarHBondContact O-N 3.06Å; S1679-S1683 VanDerWaalsContact O-N 3.17Å; S1679-S1683 PolarHBondContact O-OG 3.13Å |
| 1680 | L | 41.9 | Very low | 49.7 | Very low | 123.6 Ų | 123.6 | 84.2 Ų | 84.2 | 65% | 0.647 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.9 | -23.8 | -179.9 | -82.4 | 148.5 | 0 | 0 | 0 | 114 | P1678 S1683 T1684 | P1678-L1680 PolarHBondContact O-N 3.21Å; L1680-S1683 PolarHBondContact O-OG 3.27Å; L1680-T1684 PolarHBondContact O-OG1 3.23Å |
| 1681 | I | 41.9 | Very low | 47.2 | Very low | 72 Ų | 72 | 90.1 Ų | 90.1 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -80.5 | -32.7 | 176 | -59.7 | 175.1 | 0 | 0 | 0 | 110.4 | P1678 S1679 T1684 L1685 | P1678-I1681 PolarHBondContact O-N 3.2Å; P1678-I1681 VanDerWaalsContact O-N 3.1Å; S1679-I1681 VanDerWaalsContact C-N 3.3Å; S1679-I1681 PolarHBondContact O-N 3.04Å; I1681-T1684 PolarHBondContact O-OG1 3.15Å; I1681-T1684 VanDerWaalsContact O-OG1 3.11Å; I1681-L1685 HydrophobicContact CG2-CD1 4.13Å; I1681-L1685 WeakPolarHBondContact O-CB 3.15Å; I1681-L1685 WeakPolarHBondContact O-CD1 3.29Å; I1681-L1685 WeakPolarHBondContact O-CG 3.36Å; I1681-L1685 PolarHBondContact O-N 3.05Å |
| 1682 | N | 37 | Very low | 45.1 | Very low | 87 Ų | 87 | 94.4 Ų | 94.4 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -80.5 | -23.6 | -179.6 | -77.4 | -33.1 | 0 | 0 | 0 | 114 | P1678 S1679 K1686 | P1678-N1682 WeakPolarHBondContact O-CB 3.48Å; P1678-N1682 PolarHBondContact O-N 3.19Å; P1678-N1682 PolarHBondContact O-ND2 3.25Å; S1679-N1682 PolarHBondContact O-N 3.14Å; N1682-K1686 VanDerWaalsContact O-CB 3.28Å; N1682-K1686 WeakPolarHBondContact O-CB 3.4Å; N1682-K1686 VanDerWaalsContact O-CG 3.31Å; N1682-K1686 WeakPolarHBondContact O-CG 3.32Å; N1682-K1686 PolarHBondContact O-N 3.21Å |
| 1683 | S | 40.2 | Very low | 43 | Very low | 68 Ų | 68 | 100.5 Ų | 100.5 | 48% | 0.476 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.8 | -39.7 | 175.4 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | S1679 L1680 L1685 K1686 S1687 | S1679-S1683 WeakPolarHBondContact O-CB 3.25Å; S1679-S1683 PolarHBondContact O-N 3.06Å; S1679-S1683 VanDerWaalsContact O-N 3.17Å; S1679-S1683 PolarHBondContact O-OG 3.13Å; L1680-S1683 PolarHBondContact O-OG 3.27Å; S1683-L1685 VanDerWaalsContact C-N 3.31Å; S1683-L1685 PolarHBondContact O-N 3.23Å; S1683-K1686 PolarHBondContact O-N 3.13Å; S1683-K1686 VanDerWaalsContact O-N 3.16Å; S1683-S1687 WeakPolarHBondContact O-CB 3.19Å; S1683-S1687 PolarHBondContact O-N 3.06Å; S1683-S1687 PolarHBondContact O-OG 3.48Å |
| 1684 | T | 40.3 | Very low | 41.2 | Very low | 86.2 Ų | 86.2 | 104.5 Ų | 104.5 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.3 | -21.9 | 179.3 | 47.2 | 0 | 0 | 0 | 0 | 113.8 | L1680 I1681 S1687 | L1680-T1684 PolarHBondContact O-OG1 3.23Å; I1681-T1684 PolarHBondContact O-OG1 3.15Å; I1681-T1684 VanDerWaalsContact O-OG1 3.11Å; T1684-S1687 PolarHBondContact O-OG 2.95Å |
| 1685 | L | 40.9 | Very low | 39.6 | Very low | 125.6 Ų | 125.6 | 108 Ų | 108 | 66% | 0.658 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -87.9 | -17.7 | 173.9 | -75.2 | 168.2 | 0 | 0 | 0 | 114.2 | I1681 S1683 | I1681-L1685 HydrophobicContact CG2-CD1 4.13Å; I1681-L1685 WeakPolarHBondContact O-CB 3.15Å; I1681-L1685 WeakPolarHBondContact O-CD1 3.29Å; I1681-L1685 WeakPolarHBondContact O-CG 3.36Å; I1681-L1685 PolarHBondContact O-N 3.05Å; S1683-L1685 VanDerWaalsContact C-N 3.31Å; S1683-L1685 PolarHBondContact O-N 3.23Å |
| 1686 | K | 40.3 | Very low | 38.3 | Very low | 157 Ų | 157 | 114.1 Ų | 114.1 | 68% | 0.683 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -94.6 | -10.8 | -179.3 | -76.2 | -176 | 175.5 | -174.9 | 0 | 114.9 | N1682 S1683 N1688 S1689 | N1682-K1686 VanDerWaalsContact O-CB 3.28Å; N1682-K1686 WeakPolarHBondContact O-CB 3.4Å; N1682-K1686 VanDerWaalsContact O-CG 3.31Å; N1682-K1686 WeakPolarHBondContact O-CG 3.32Å; N1682-K1686 PolarHBondContact O-N 3.21Å; S1683-K1686 PolarHBondContact O-N 3.13Å; S1683-K1686 VanDerWaalsContact O-N 3.16Å; K1686-N1688 PolarHBondContact O-N 3.19Å; K1686-S1689 PolarHBondContact O-OG 2.99Å |
| 1687 | S | 40.4 | Very low | 37.5 | Very low | 81 Ų | 81 | 115.3 Ų | 115.3 | 57% | 0.566 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -86.4 | -8.8 | -176.4 | 53.5 | 0 | 0 | 0 | 0 | 115.2 | S1683 T1684 S1689 | S1683-S1687 WeakPolarHBondContact O-CB 3.19Å; S1683-S1687 PolarHBondContact O-N 3.06Å; S1683-S1687 PolarHBondContact O-OG 3.48Å; T1684-S1687 PolarHBondContact O-OG 2.95Å; S1687-S1689 PolarHBondContact O-N 3.41Å |
| 1688 | N | 36 | Very low | 36.9 | Very low | 143.2 Ų | 143.2 | 116.2 Ų | 116.2 | 77% | 0.766 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 25.1 | -170 | -69.2 | -18.7 | 0 | 0 | 0 | 114.4 | K1686 | K1686-N1688 PolarHBondContact O-N 3.19Š|
| 1689 | S | 34.2 | Very low | 36.5 | Very low | 104.2 Ų | 104.2 | 117.9 Ų | 117.9 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | trans | -123.8 | 49.8 | -176.2 | 65 | 0 | 0 | 0 | 0 | 114.2 | K1686 S1687 | K1686-S1689 PolarHBondContact O-OG 2.99Å; S1687-S1689 PolarHBondContact O-N 3.41Å | ||
| 1690 | S | 33.7 | Very low | 36 | Very low | 109.6 Ų | 109.6 | 117.9 Ų | 117.9 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | trans | -149.4 | 98.4 | 168.1 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1691 | L | 32.6 | Very low | 35.5 | Very low | 167 Ų | 167 | 118.1 Ų | 118.1 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -102.1 | 145.2 | 169.7 | -136.2 | 73.8 | 0 | 0 | 0 | 109.5 | ||||
| 1692 | P | 35.4 | Very low | 34.9 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | -123.8 | 158 | 108.9 | 36.3 | -23.5 | 0 | 0 | 0 | 114.9 | |||||
| 1693 | N | 30.3 | Very low | 34.7 | Very low | 151.6 Ų | 151.6 | 129.5 Ų | 129.5 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | 17.9 | 116 | 151.5 | -66.1 | -27.9 | 0 | 0 | 0 | 119.3 | ||||
| 1694 | V | 34.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | -152.6 | 152.7 | 125.9 | 160 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1695 | K | 32.3 | Very low | 33.8 | Very low | 181.4 Ų | 181.4 | 135.4 Ų | 135.4 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | trans | -93.9 | 153.9 | -169.6 | -64.1 | 171.6 | 177.4 | 174.2 | 0 | 113.9 | ||||
| 1696 | N | 31.3 | Very low | 33.1 | Very low | 144.6 Ų | 144.6 | 137.1 Ų | 137.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 56.9 | 142.6 | 143.7 | -57.2 | -3.3 | 0 | 0 | 0 | 119.3 | ||||
| 1697 | T | 34.1 | Very low | 32.4 | Very low | 123.6 Ų | 123.6 | 134.9 Ų | 134.9 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | 156.6 | 130.7 | 78.9 | 39.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1698 | S | 34 | Very low | 31.8 | Very low | 103.6 Ų | 103.6 | 136.5 Ų | 136.5 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | 39.6 | 131.5 | 138.1 | 61.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1699 | S | 32.2 | Very low | 31.4 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | 146.8 | 139.3 | 56.4 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1700 | G | 31.7 | Very low | 31.2 | Very low | 68.8 Ų | 68.8 | 135.2 Ų | 135.2 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | 132.4 | 107.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1701 | T | 32.7 | Very low | 31.2 | Very low | 126.8 Ų | 126.8 | 136 Ų | 136 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | 58.6 | 122.1 | 126.8 | 14.4 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1702 | R | 29.4 | Very low | 31 | Very low | 234.2 Ų | 234.2 | 138 Ų | 138 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | 72.8 | 124.9 | 135.6 | -68.6 | 174.4 | -171 | 170.7 | 2.7 | 117.8 | ||||
| 1703 | I | 31.7 | Very low | 30.9 | Very low | 164.6 Ų | 164.6 | 140.3 Ų | 140.3 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | trans | -137 | 149.9 | 141.5 | -66.3 | 163.8 | 0 | 0 | 0 | 107.7 | ||||
| 1704 | P | 32.8 | Very low | 31 | Very low | 102.8 Ų | 102.8 | 139.6 Ų | 139.6 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | trans | -114.2 | -179.4 | -175.7 | 34.2 | -20.6 | 0 | 0 | 0 | 115.5 | ||||
| 1705 | E | 28.8 | Very low | 30.7 | Very low | 176.4 Ų | 176.4 | 136.1 Ų | 136.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 117 | 116.8 | 146.4 | -85.6 | 155.5 | -145.8 | 0 | 0 | 117.6 | ||||
| 1706 | L | 26.9 | Very low | 30.7 | Very low | 161.2 Ų | 161.2 | 132.7 Ų | 132.7 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | trans | -177.5 | 113 | 135.7 | -91.1 | 156.9 | 0 | 0 | 0 | 114.5 | ||||
| 1707 | S | 26.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 99.8 | 125.5 | 150 | 18 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1708 | S | 26.8 | Very low | 30.8 | Very low | 114.6 Ų | 114.6 | 132.8 Ų | 132.8 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | 158.5 | 135.6 | 134.8 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1709 | S | 28.6 | Very low | 30.8 | Very low | 115.8 Ų | 115.8 | 133.2 Ų | 133.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -173 | 139.2 | 133.9 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1710 | S | 29.8 | Very low | 30.9 | Very low | 105.2 Ų | 105.2 | 134.7 Ų | 134.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -159.8 | 142.2 | 158 | 105.5 | 0 | 0 | 0 | 0 | 112.1 | Y1712 | S1710-Y1712 PolarHBondContact O-N 2.96Š| ||
| 1711 | V | 32.1 | Very low | 31.1 | Very low | 124.8 Ų | 124.8 | 138.9 Ų | 138.9 | 76% | 0.756 | 79% | 0.792 | S | S | * | * | trans | -52.8 | 129.5 | 169.2 | -172.6 | 0 | 0 | 0 | 0 | 113.7 | L1713 | V1711-L1713 HydrophobicContact CG1-CD1 4.19Å; V1711-L1713 HydrophobicContact CG1-CG 4.23Å | ||
| 1712 | Y | 30.2 | Very low | 31.3 | Very low | 210.4 Ų | 210.4 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -67 | 121.8 | 165.8 | -72.8 | -84.1 | 0 | 0 | 0 | 112.7 | S1710 | S1710-Y1712 PolarHBondContact O-N 2.96Š| ||
| 1713 | L | 32.6 | Very low | 31.6 | Very low | 156.8 Ų | 156.8 | 130.5 Ų | 130.5 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | trans | -139.4 | 135.2 | 152.5 | -94.5 | 173.1 | 0 | 0 | 0 | 109.5 | V1711 | V1711-L1713 HydrophobicContact CG1-CD1 4.19Å; V1711-L1713 HydrophobicContact CG1-CG 4.23Å | ||
| 1714 | T | 31.4 | Very low | 31.9 | Very low | 136.6 Ų | 136.6 | 127.4 Ų | 127.4 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -67.4 | 143.8 | 179.8 | 51.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1715 | G | 29.8 | Very low | 32.3 | Very low | 75.8 Ų | 75.8 | 128.1 Ų | 128.1 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | 141.8 | 106.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1716 | S | 32.4 | Very low | 32.8 | Very low | 110.4 Ų | 110.4 | 123.4 Ų | 123.4 | 77% | 0.772 | 74% | 0.74 | S | S | * | * | trans | 77.5 | 113 | 147.8 | -145.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1717 | T | 31.8 | Very low | 33.7 | Very low | 116.8 Ų | 116.8 | 122 Ų | 122 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | 36.5 | 96.4 | 140.9 | 60.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1718 | N | 33.9 | Very low | 34.4 | Very low | 152.4 Ų | 152.4 | 119.7 Ų | 119.7 | 82% | 0.815 | 71% | 0.713 | S | S | * | * | 174.3 | 116.8 | 127.9 | -94.2 | -18.2 | 0 | 0 | 0 | 113.1 | N1720 | N1718-N1720 PolarHBondContact O-N 2.98Š| |||
| 1719 | P | 34.8 | Very low | 34.9 | Very low | 113.6 Ų | 113.6 | 120.8 Ų | 120.8 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -96.7 | 120.6 | 178.7 | 34.9 | -28.2 | 0 | 0 | 0 | 111 | ||||
| 1720 | N | 34 | Very low | 35.3 | Very low | 150 Ų | 150 | 118.6 Ų | 118.6 | 80% | 0.802 | 69% | 0.689 | S | S | * | * | trans | 159 | 118.3 | 163.5 | -79 | -32.6 | 0 | 0 | 0 | 114 | N1718 | N1718-N1720 PolarHBondContact O-N 2.98Š| ||
| 1721 | I | 35.8 | Very low | 36 | Very low | 157.6 Ų | 157.6 | 115.5 Ų | 115.5 | 81% | 0.808 | 67% | 0.667 | S | S | * | * | trans | 70.8 | 85.5 | 165.7 | -46.5 | 170.9 | 0 | 0 | 0 | 113.8 | ||||
| 1722 | V | 36.2 | Very low | 36.1 | Very low | 113.8 Ų | 113.8 | 114.8 Ų | 114.8 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | trans | -98.3 | 125.6 | 158.7 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | T1726 I1727 | V1722-T1726 HydrophobicContact CG1-CG2 4.36Å; V1722-T1726 WeakPolarHBondContact CG1-OG1 3.4Å; V1722-I1727 HydrophobicContact CB-CD1 4.48Å; V1722-I1727 HydrophobicContact CG1-CD1 4.21Å; V1722-I1727 HydrophobicContact CG1-CG1 3.89Å | ||
| 1723 | P | 35.9 | Very low | 37 | Very low | 70 Ų | 70 | 108.5 Ų | 108.5 | 46% | 0.455 | 64% | 0.636 | S | S | . | * | trans | -70.4 | 149.9 | -177.2 | 19.4 | -22.7 | 0 | 0 | 0 | 112.2 | N1725 T1726 | P1723-N1725 PolarHBondContact O-N 3.22Å; P1723-N1725 VanDerWaalsContact O-N 3.1Å; P1723-T1726 PolarHBondContact O-N 3.24Å; P1723-T1726 VanDerWaalsContact O-N 3.14Å; P1723-T1726 PolarHBondContact O-OG1 3.09Å | ||
| 1724 | P | 39.2 | Very low | 38 | Very low | 100.4 Ų | 100.4 | 107.8 Ų | 107.8 | 65% | 0.652 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -19.6 | -177.3 | 24.3 | -34.5 | 0 | 0 | 0 | 113.9 | T1726 I1727 T1728 | P1724-T1726 VanDerWaalsContact C-N 3.31Å; P1724-T1726 PolarHBondContact O-N 3.02Å; P1724-T1726 VanDerWaalsContact O-N 3.07Å; P1724-I1727 PolarHBondContact O-N 3Å; P1724-T1728 PolarHBondContact O-N 3.48Å; P1724-T1728 PolarHBondContact O-OG1 3.35Å |
| 1725 | N | 40.9 | Very low | 38.9 | Very low | 117 Ų | 117 | 103.8 Ų | 103.8 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.5 | -21.8 | 179.1 | -59.9 | 5.9 | 0 | 0 | 0 | 113.5 | P1723 T1728 F1729 | P1723-N1725 PolarHBondContact O-N 3.22Å; P1723-N1725 VanDerWaalsContact O-N 3.1Å; N1725-T1728 VanDerWaalsContact C-OG1 3.32Å; N1725-T1728 WeakPolarHBondContact CA-OG1 3.37Å; N1725-T1728 PolarHBondContact O-OG1 2.96Å; N1725-T1728 VanDerWaalsContact O-OG1 3.09Å; N1725-F1729 VanDerWaalsContact O-CB 3.24Å; N1725-F1729 WeakPolarHBondContact O-CB 3.2Å; N1725-F1729 PolarHBondContact O-N 3.23Å; N1725-F1729 VanDerWaalsContact O-N 3.12Å |
| 1726 | T | 39.8 | Very low | 40 | Very low | 78.6 Ų | 78.6 | 102.1 Ų | 102.1 | 48% | 0.482 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.8 | -36.4 | -177.6 | -38.2 | 0 | 0 | 0 | 0 | 112.2 | V1722 P1723 P1724 F1729 S1730 | V1722-T1726 HydrophobicContact CG1-CG2 4.36Å; V1722-T1726 WeakPolarHBondContact CG1-OG1 3.4Å; P1723-T1726 PolarHBondContact O-N 3.24Å; P1723-T1726 VanDerWaalsContact O-N 3.14Å; P1723-T1726 PolarHBondContact O-OG1 3.09Å; P1724-T1726 VanDerWaalsContact C-N 3.31Å; P1724-T1726 PolarHBondContact O-N 3.02Å; P1724-T1726 VanDerWaalsContact O-N 3.07Å; T1726-F1729 PolarHBondContact O-N 3.18Å; T1726-S1730 WeakPolarHBondContact O-CB 3.18Å; T1726-S1730 PolarHBondContact O-N 3.25Å; T1726-S1730 VanDerWaalsContact O-N 3.13Å; T1726-S1730 PolarHBondContact O-OG 2.84Å; T1726-S1730 VanDerWaalsContact O-OG 3.1Å |
| 1727 | I | 44.7 | Very low | 41.3 | Very low | 130.6 Ų | 130.6 | 100.9 Ų | 100.9 | 67% | 0.67 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.3 | -42.7 | -179.8 | -59.8 | 175.5 | 0 | 0 | 0 | 110 | V1722 P1724 F1729 S1730 S1731 | V1722-I1727 HydrophobicContact CB-CD1 4.48Å; V1722-I1727 HydrophobicContact CG1-CD1 4.21Å; V1722-I1727 HydrophobicContact CG1-CG1 3.89Å; P1724-I1727 PolarHBondContact O-N 3Å; I1727-F1729 VanDerWaalsContact C-N 3.32Å; I1727-F1729 PolarHBondContact O-N 3.09Å; I1727-S1730 PolarHBondContact O-N 3.12Å; I1727-S1731 PolarHBondContact O-N 3.24Å; I1727-S1731 VanDerWaalsContact O-N 3.09Å; I1727-S1731 PolarHBondContact O-OG 3.25Å |
| 1728 | T | 42.3 | Very low | 42.9 | Very low | 61.6 Ų | 61.6 | 95.9 Ų | 95.9 | 38% | 0.378 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 175.4 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | P1724 N1725 S1730 S1731 M1732 | P1724-T1728 PolarHBondContact O-N 3.48Å; P1724-T1728 PolarHBondContact O-OG1 3.35Å; N1725-T1728 VanDerWaalsContact C-OG1 3.32Å; N1725-T1728 WeakPolarHBondContact CA-OG1 3.37Å; N1725-T1728 PolarHBondContact O-OG1 2.96Å; N1725-T1728 VanDerWaalsContact O-OG1 3.09Å; T1728-S1730 VanDerWaalsContact C-N 3.35Å; T1728-S1730 PolarHBondContact O-N 3.49Å; T1728-S1731 PolarHBondContact O-N 3.28Å; T1728-S1731 PolarHBondContact O-OG 3.08Å; T1728-S1731 VanDerWaalsContact O-OG 3.08Å; T1728-M1732 WeakPolarHBondContact O-CB 3.29Å; T1728-M1732 VanDerWaalsContact O-CG 3.26Å; T1728-M1732 WeakPolarHBondContact O-CG 3.31Å; T1728-M1732 PolarHBondContact O-N 3.09Å |
| 1729 | F | 35.5 | Very low | 44.4 | Very low | 138.2 Ų | 138.2 | 93.3 Ų | 93.3 | 61% | 0.606 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 175.8 | -153.4 | -105 | 0 | 0 | 0 | 112.1 | N1725 T1726 I1727 M1732 I1733 | N1725-F1729 VanDerWaalsContact O-CB 3.24Å; N1725-F1729 WeakPolarHBondContact O-CB 3.2Å; N1725-F1729 PolarHBondContact O-N 3.23Å; N1725-F1729 VanDerWaalsContact O-N 3.12Å; T1726-F1729 PolarHBondContact O-N 3.18Å; I1727-F1729 VanDerWaalsContact C-N 3.32Å; I1727-F1729 PolarHBondContact O-N 3.09Å; F1729-M1732 PolarHBondContact O-N 2.77Å; F1729-I1733 HydrophobicContact CD1-CD1 3.61Å; F1729-I1733 HydrophobicContact CD1-CG1 4.26Å; F1729-I1733 HydrophobicContact CE1-CD1 3.74Å; F1729-I1733 HydrophobicContact CE1-CG1 4.3Å; F1729-I1733 HydrophobicContact CG-CD1 4.42Å; F1729-I1733 HydrophobicContact CZ-CD1 4.27Å; F1729-I1733 WeakPolarHBondContact O-CB 3.39Å; F1729-I1733 WeakPolarHBondContact O-CD1 3.49Å; F1729-I1733 VanDerWaalsContact O-CG1 3.29Å; F1729-I1733 WeakPolarHBondContact O-CG1 3.39Å; F1729-I1733 PolarHBondContact O-N 3.34Å |
| 1730 | S | 38.6 | Very low | 46 | Very low | 71 Ų | 71 | 95.3 Ų | 95.3 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 176.8 | -153.6 | 0 | 0 | 0 | 0 | 112.7 | T1726 I1727 T1728 M1732 I1733 Q1734 | T1726-S1730 WeakPolarHBondContact O-CB 3.18Å; T1726-S1730 PolarHBondContact O-N 3.25Å; T1726-S1730 VanDerWaalsContact O-N 3.13Å; T1726-S1730 PolarHBondContact O-OG 2.84Å; T1726-S1730 VanDerWaalsContact O-OG 3.1Å; I1727-S1730 PolarHBondContact O-N 3.12Å; T1728-S1730 VanDerWaalsContact C-N 3.35Å; T1728-S1730 PolarHBondContact O-N 3.49Å; S1730-M1732 PolarHBondContact O-N 2.97Å; S1730-I1733 PolarHBondContact O-N 3.01Å; S1730-Q1734 WeakPolarHBondContact O-CB 2.87Å; S1730-Q1734 PolarHBondContact O-N 3.02Å; S1730-Q1734 VanDerWaalsContact O-N 3.11Å |
| 1731 | S | 43 | Very low | 47.9 | Very low | 38.6 Ų | 38.6 | 90.4 Ų | 90.4 | 27% | 0.27 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.2 | -38 | 175.8 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | I1727 T1728 I1733 Q1734 Q1735 | I1727-S1731 PolarHBondContact O-N 3.24Å; I1727-S1731 VanDerWaalsContact O-N 3.09Å; I1727-S1731 PolarHBondContact O-OG 3.25Å; T1728-S1731 PolarHBondContact O-N 3.28Å; T1728-S1731 PolarHBondContact O-OG 3.08Å; T1728-S1731 VanDerWaalsContact O-OG 3.08Å; S1731-I1733 VanDerWaalsContact C-N 3.34Å; S1731-I1733 PolarHBondContact O-N 3.04Å; S1731-Q1734 PolarHBondContact O-N 3.08Å; S1731-Q1735 WeakPolarHBondContact O-CB 3.43Å; S1731-Q1735 VanDerWaalsContact O-CG 3.25Å; S1731-Q1735 WeakPolarHBondContact O-CG 3.44Å; S1731-Q1735 PolarHBondContact O-N 3.34Å |
| 1732 | M | 35.4 | Very low | 49.8 | Very low | 111 Ų | 111 | 83 Ų | 83 | 55% | 0.547 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 173.9 | -74.8 | 178.7 | -179.7 | 0 | 0 | 112.3 | T1728 F1729 S1730 Q1734 Q1735 A1736 | T1728-M1732 WeakPolarHBondContact O-CB 3.29Å; T1728-M1732 VanDerWaalsContact O-CG 3.26Å; T1728-M1732 WeakPolarHBondContact O-CG 3.31Å; T1728-M1732 PolarHBondContact O-N 3.09Å; F1729-M1732 PolarHBondContact O-N 2.77Å; S1730-M1732 PolarHBondContact O-N 2.97Å; M1732-Q1734 VanDerWaalsContact C-N 3.34Å; M1732-Q1735 PolarHBondContact O-N 3.09Å; M1732-A1736 VanDerWaalsContact O-CB 3.29Å; M1732-A1736 WeakPolarHBondContact O-CB 3.4Å; M1732-A1736 PolarHBondContact O-N 3.35Å |
| 1733 | I | 49.1 | Very low | 51.5 | Low | 78.2 Ų | 78.2 | 82.8 Ų | 82.8 | 40% | 0.401 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 173.1 | -72.1 | 165.5 | 0 | 0 | 0 | 110.5 | F1729 S1730 S1731 Q1735 A1736 N1737 | F1729-I1733 HydrophobicContact CD1-CD1 3.61Å; F1729-I1733 HydrophobicContact CD1-CG1 4.26Å; F1729-I1733 HydrophobicContact CE1-CD1 3.74Å; F1729-I1733 HydrophobicContact CE1-CG1 4.3Å; F1729-I1733 HydrophobicContact CG-CD1 4.42Å; F1729-I1733 HydrophobicContact CZ-CD1 4.27Å; F1729-I1733 WeakPolarHBondContact O-CB 3.39Å; F1729-I1733 WeakPolarHBondContact O-CD1 3.49Å; F1729-I1733 VanDerWaalsContact O-CG1 3.29Å; F1729-I1733 WeakPolarHBondContact O-CG1 3.39Å; F1729-I1733 PolarHBondContact O-N 3.34Å; S1730-I1733 PolarHBondContact O-N 3.01Å; S1731-I1733 VanDerWaalsContact C-N 3.34Å; S1731-I1733 PolarHBondContact O-N 3.04Å; I1733-Q1735 VanDerWaalsContact C-N 3.34Å; I1733-Q1735 PolarHBondContact O-N 3.03Å; I1733-A1736 PolarHBondContact O-N 3.17Å; I1733-N1737 WeakPolarHBondContact CG2-ND2 3.37Å; I1733-N1737 WeakPolarHBondContact O-CB 3.4Å; I1733-N1737 PolarHBondContact O-N 2.98Å; I1733-N1737 PolarHBondContact O-ND2 3.26Å; I1733-N1737 PolarHBondContact O-OD1 2.98Å |
| 1734 | Q | 52.4 | Low | 53.2 | Low | 141 Ų | 141 | 83.4 Ų | 83.4 | 66% | 0.659 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 179.3 | -133 | 176 | -16.2 | 0 | 0 | 112.2 | S1730 S1731 M1732 A1736 N1737 G1738 | S1730-Q1734 WeakPolarHBondContact O-CB 2.87Å; S1730-Q1734 PolarHBondContact O-N 3.02Å; S1730-Q1734 VanDerWaalsContact O-N 3.11Å; S1731-Q1734 PolarHBondContact O-N 3.08Å; M1732-Q1734 VanDerWaalsContact C-N 3.34Å; Q1734-A1736 PolarHBondContact O-N 3.46Å; Q1734-N1737 PolarHBondContact O-N 3.26Å; Q1734-G1738 PolarHBondContact O-N 3.16Å; Q1734-G1738 VanDerWaalsContact O-N 3.09Å |
| 1735 | Q | 52.1 | Low | 54.9 | Low | 53.2 Ų | 53.2 | 78.7 Ų | 78.7 | 25% | 0.249 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.7 | -72.1 | 178.4 | -20.8 | 0 | 0 | 112.7 | C1675 S1731 M1732 I1733 N1737 G1738 R1739 | C1675-Q1735 HydrophobicContact CB-CB 4.23Å; C1675-Q1735 HydrophobicContact CB-CG 4.16Å; C1675-Q1735 VanDerWaalsContact O-CD 3.32Å; C1675-Q1735 PolarHBondContact O-NE2 3.34Å; S1731-Q1735 WeakPolarHBondContact O-CB 3.43Å; S1731-Q1735 VanDerWaalsContact O-CG 3.25Å; S1731-Q1735 WeakPolarHBondContact O-CG 3.44Å; S1731-Q1735 PolarHBondContact O-N 3.34Å; M1732-Q1735 PolarHBondContact O-N 3.09Å; I1733-Q1735 VanDerWaalsContact C-N 3.34Å; I1733-Q1735 PolarHBondContact O-N 3.03Å; Q1735-N1737 VanDerWaalsContact C-N 3.33Å; Q1735-N1737 PolarHBondContact O-N 3.38Å; Q1735-G1738 PolarHBondContact O-N 3.29Å; Q1735-R1739 PolarHBondContact O-N 3.11Å; Q1735-R1739 VanDerWaalsContact O-N 3.16Å |
| 1736 | A | 52.2 | Low | 56.6 | Low | 39.4 Ų | 39.4 | 73.8 Ų | 73.8 | 33% | 0.326 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1732 I1733 Q1734 R1740 | M1732-A1736 VanDerWaalsContact O-CB 3.29Å; M1732-A1736 WeakPolarHBondContact O-CB 3.4Å; M1732-A1736 PolarHBondContact O-N 3.35Å; I1733-A1736 PolarHBondContact O-N 3.17Å; Q1734-A1736 PolarHBondContact O-N 3.46Å; A1736-R1740 VanDerWaalsContact O-CB 3.31Å; A1736-R1740 WeakPolarHBondContact O-CB 3.33Å; A1736-R1740 WeakPolarHBondContact O-CD 3.42Å; A1736-R1740 VanDerWaalsContact O-CG 3.27Å; A1736-R1740 WeakPolarHBondContact O-CG 3.33Å; A1736-R1740 PolarHBondContact O-N 3.1Å; A1736-R1740 VanDerWaalsContact O-N 3.16Å |
| 1737 | N | 60.6 | Low | 58 | Low | 86 Ų | 86 | 73.2 Ų | 73.2 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67 | -40 | 177.7 | -70.6 | -12.6 | 0 | 0 | 0 | 112.1 | I1733 Q1734 Q1735 R1740 L1741 | I1733-N1737 WeakPolarHBondContact CG2-ND2 3.37Å; I1733-N1737 WeakPolarHBondContact O-CB 3.4Å; I1733-N1737 PolarHBondContact O-N 2.98Å; I1733-N1737 PolarHBondContact O-ND2 3.26Å; I1733-N1737 PolarHBondContact O-OD1 2.98Å; Q1734-N1737 PolarHBondContact O-N 3.26Å; Q1735-N1737 VanDerWaalsContact C-N 3.33Å; Q1735-N1737 PolarHBondContact O-N 3.38Å; N1737-R1740 PolarHBondContact O-N 3.11Å; N1737-L1741 VanDerWaalsContact O-CB 3.29Å; N1737-L1741 WeakPolarHBondContact O-CB 3.4Å; N1737-L1741 PolarHBondContact O-N 3.08Å |
| 1738 | G | 63.5 | Low | 59.3 | Low | 12 Ų | 12 | 71.6 Ų | 71.6 | 12% | 0.124 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1734 Q1735 R1740 L1741 V1742 | Q1734-G1738 PolarHBondContact O-N 3.16Å; Q1734-G1738 VanDerWaalsContact O-N 3.09Å; Q1735-G1738 PolarHBondContact O-N 3.29Å; G1738-R1740 PolarHBondContact O-N 3.2Å; G1738-L1741 PolarHBondContact O-N 3.07Å; G1738-V1742 WeakPolarHBondContact O-CG2 3.26Å; G1738-V1742 PolarHBondContact O-N 3.26Å; G1738-V1742 VanDerWaalsContact O-N 3.14Å |
| 1739 | R | 66.7 | Low | 60.8 | Low | 98 Ų | 98 | 69 Ų | 69 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.7 | -64.7 | -172.7 | -169.1 | -179.5 | 7.1 | 112.7 | C1675 F1676 Q1735 L1741 V1742 Q1743 | C1675-R1739 HydrophobicContact CB-CG 4.41Å; C1675-R1739 PolarHBondContact O-NH2 3.16Å; F1676-R1739 VanDerWaalsContact CD1-NH2 3.31Å; F1676-R1739 VanDerWaalsContact CE1-NH2 3.31Å; F1676-R1739 VanDerWaalsContact CZ-CZ 3.44Å; F1676-R1739 VanDerWaalsContact CZ-NH1 3.34Å; Q1735-R1739 PolarHBondContact O-N 3.11Å; Q1735-R1739 VanDerWaalsContact O-N 3.16Å; R1739-L1741 VanDerWaalsContact C-N 3.31Å; R1739-L1741 PolarHBondContact O-N 3.23Å; R1739-V1742 PolarHBondContact O-N 3.17Å; R1739-Q1743 WeakPolarHBondContact O-CB 3.39Å; R1739-Q1743 WeakPolarHBondContact O-CG 3.4Å; R1739-Q1743 PolarHBondContact O-N 3.12Å |
| 1740 | R | 68.3 | Low | 62.8 | Low | 156 Ų | 156 | 63.7 Ų | 63.7 | 59% | 0.589 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 175.5 | -76.4 | 172.2 | 175.6 | 178.2 | -2.6 | 111.9 | A1736 N1737 G1738 Q1743 N1744 | A1736-R1740 VanDerWaalsContact O-CB 3.31Å; A1736-R1740 WeakPolarHBondContact O-CB 3.33Å; A1736-R1740 WeakPolarHBondContact O-CD 3.42Å; A1736-R1740 VanDerWaalsContact O-CG 3.27Å; A1736-R1740 WeakPolarHBondContact O-CG 3.33Å; A1736-R1740 PolarHBondContact O-N 3.1Å; A1736-R1740 VanDerWaalsContact O-N 3.16Å; N1737-R1740 PolarHBondContact O-N 3.11Å; G1738-R1740 PolarHBondContact O-N 3.2Å; R1740-Q1743 PolarHBondContact O-N 3.08Å; R1740-N1744 VanDerWaalsContact O-CB 3.24Å; R1740-N1744 WeakPolarHBondContact O-CB 3.31Å; R1740-N1744 PolarHBondContact O-N 3.2Å; R1740-N1744 PolarHBondContact O-ND2 2.79Å; R1740-N1744 PolarHBondContact O-OD1 3.29Å |
| 1741 | L | 72.8 | Confident | 65 | Low | 45.6 Ų | 45.6 | 60.5 Ų | 60.5 | 24% | 0.239 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -47 | 176.4 | -176.5 | 120.1 | 0 | 0 | 0 | 111.4 | A1527 L1580 L1668 N1737 G1738 R1739 N1744 T1745 | A1527-L1741 HydrophobicContact CB-CD1 3.71Å; A1527-L1741 HydrophobicContact CB-CD2 3.95Å; A1527-L1741 HydrophobicContact CB-CG 4.44Å; L1580-L1741 HydrophobicContact CD2-CD2 4.4Å; L1668-L1741 HydrophobicContact CD2-CD2 4.33Å; N1737-L1741 VanDerWaalsContact O-CB 3.29Å; N1737-L1741 WeakPolarHBondContact O-CB 3.4Å; N1737-L1741 PolarHBondContact O-N 3.08Å; G1738-L1741 PolarHBondContact O-N 3.07Å; R1739-L1741 VanDerWaalsContact C-N 3.31Å; R1739-L1741 PolarHBondContact O-N 3.23Å; L1741-N1744 PolarHBondContact O-N 2.95Å; L1741-T1745 HydrophobicContact CD2-CG2 4.32Å; L1741-T1745 HydrophobicContact CG-CG2 4.35Å; L1741-T1745 VanDerWaalsContact O-CB 3.28Å; L1741-T1745 WeakPolarHBondContact O-CB 3.39Å; L1741-T1745 VanDerWaalsContact O-CG2 3.27Å; L1741-T1745 WeakPolarHBondContact O-CG2 3.32Å; L1741-T1745 PolarHBondContact O-N 3.19Å; L1741-T1745 PolarHBondContact O-OG1 3.24Å |
| 1742 | V | 76.6 | Confident | 66.9 | Low | 2.4 Ų | 2.4 | 59.1 Ų | 59.1 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L1668 Q1672 G1738 R1739 N1744 T1745 I1746 L1825 | L1668-V1742 HydrophobicContact CB-CG2 4.39Å; L1668-V1742 HydrophobicContact CD2-CG2 4.27Å; Q1672-V1742 HydrophobicContact CB-CG2 4.48Å; G1738-V1742 WeakPolarHBondContact O-CG2 3.26Å; G1738-V1742 PolarHBondContact O-N 3.26Å; G1738-V1742 VanDerWaalsContact O-N 3.14Å; R1739-V1742 PolarHBondContact O-N 3.17Å; V1742-N1744 PolarHBondContact O-N 3.13Å; V1742-T1745 WeakPolarHBondContact CA-OG1 3.39Å; V1742-T1745 PolarHBondContact O-N 2.88Å; V1742-T1745 PolarHBondContact O-OG1 3.16Å; V1742-T1745 VanDerWaalsContact O-OG1 3.07Å; V1742-I1746 HydrophobicContact CG1-CD1 3.75Å; V1742-I1746 HydrophobicContact CG1-CG1 4.46Å; V1742-I1746 WeakPolarHBondContact O-CD1 3.4Å; V1742-I1746 VanDerWaalsContact O-CG1 3.24Å; V1742-I1746 WeakPolarHBondContact O-CG1 3.46Å; V1742-I1746 PolarHBondContact O-N 3.16Å; V1742-I1746 VanDerWaalsContact O-N 3.11Å; V1742-L1825 HydrophobicContact CG1-CB 4.45Å; V1742-L1825 HydrophobicContact CG1-CD1 4Å; V1742-L1825 HydrophobicContact CG1-CD2 4.01Å; V1742-L1825 HydrophobicContact CG1-CG 4Å; V1742-L1825 HydrophobicContact CG2-CD1 4.41Å |
| 1743 | Q | 72.6 | Confident | 69.1 | Low | 110.8 Ų | 110.8 | 54.9 Ų | 54.9 | 52% | 0.518 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | -179.8 | -138.4 | 173.6 | -1.6 | 0 | 0 | 112.3 | R1739 R1740 I1746 H1747 | R1739-Q1743 WeakPolarHBondContact O-CB 3.39Å; R1739-Q1743 WeakPolarHBondContact O-CG 3.4Å; R1739-Q1743 PolarHBondContact O-N 3.12Å; R1740-Q1743 PolarHBondContact O-N 3.08Å; Q1743-I1746 PolarHBondContact O-N 3.15Å; Q1743-H1747 WeakPolarHBondContact O-CB 3.3Å; Q1743-H1747 PolarHBondContact O-CD2 3.38Å; Q1743-H1747 PolarHBondContact O-N 3.1Å; Q1743-H1747 VanDerWaalsContact O-N 3.12Å |
| 1744 | N | 71.1 | Confident | 70.7 | Confident | 80.8 Ų | 80.8 | 51.3 Ų | 51.3 | 43% | 0.432 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 178.1 | -71.3 | 5.9 | 0 | 0 | 0 | 111.2 | R1740 L1741 V1742 I1746 H1747 H1748 | R1740-N1744 VanDerWaalsContact O-CB 3.24Å; R1740-N1744 WeakPolarHBondContact O-CB 3.31Å; R1740-N1744 PolarHBondContact O-N 3.2Å; R1740-N1744 PolarHBondContact O-ND2 2.79Å; R1740-N1744 PolarHBondContact O-OD1 3.29Å; L1741-N1744 PolarHBondContact O-N 2.95Å; V1742-N1744 PolarHBondContact O-N 3.13Å; N1744-I1746 VanDerWaalsContact C-N 3.33Å; N1744-I1746 PolarHBondContact O-N 3.16Å; N1744-H1747 PolarHBondContact O-N 2.92Å; N1744-H1747 VanDerWaalsContact O-N 3.13Å; N1744-H1748 WeakPolarHBondContact O-CB 3.32Å; N1744-H1748 PolarHBondContact O-CD2 3.24Å; N1744-H1748 PolarHBondContact O-N 3.13Å |
| 1745 | T | 74.5 | Confident | 72.4 | Confident | 1.8 Ų | 1.8 | 44.6 Ų | 44.6 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | -179.8 | 38 | 0 | 0 | 0 | 0 | 111.8 | L1580 E1581 I1584 L1741 V1742 H1747 T1749 | L1580-T1745 HydrophobicContact CD2-CG2 4.23Å; E1581-T1745 HydrophobicContact CG-CG2 4.07Å; I1584-T1745 HydrophobicContact CD1-CG2 3.51Å; L1741-T1745 HydrophobicContact CD2-CG2 4.32Å; L1741-T1745 HydrophobicContact CG-CG2 4.35Å; L1741-T1745 VanDerWaalsContact O-CB 3.28Å; L1741-T1745 WeakPolarHBondContact O-CB 3.39Å; L1741-T1745 VanDerWaalsContact O-CG2 3.27Å; L1741-T1745 WeakPolarHBondContact O-CG2 3.32Å; L1741-T1745 PolarHBondContact O-N 3.19Å; L1741-T1745 PolarHBondContact O-OG1 3.24Å; V1742-T1745 WeakPolarHBondContact CA-OG1 3.39Å; V1742-T1745 PolarHBondContact O-N 2.88Å; V1742-T1745 PolarHBondContact O-OG1 3.16Å; V1742-T1745 VanDerWaalsContact O-OG1 3.07Å; T1745-H1747 VanDerWaalsContact C-N 3.32Å; T1745-H1747 PolarHBondContact O-N 3.13Å; T1745-T1749 HydrophobicContact CG2-CG2 4.4Å; T1745-T1749 WeakPolarHBondContact O-CB 3.4Å; T1745-T1749 VanDerWaalsContact O-CG2 3.27Å; T1745-T1749 WeakPolarHBondContact O-CG2 3.35Å; T1745-T1749 PolarHBondContact O-N 3.06Å; T1745-T1749 VanDerWaalsContact O-N 3.11Å; T1745-T1749 PolarHBondContact O-OG1 3.08Å |
| 1746 | I | 76.4 | Confident | 74 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 174.3 | -66.2 | 164.8 | 0 | 0 | 0 | 111.3 | V1742 Q1743 N1744 C1750 P1752 L1825 K1826 | V1742-I1746 HydrophobicContact CG1-CD1 3.75Å; V1742-I1746 HydrophobicContact CG1-CG1 4.46Å; V1742-I1746 WeakPolarHBondContact O-CD1 3.4Å; V1742-I1746 VanDerWaalsContact O-CG1 3.24Å; V1742-I1746 WeakPolarHBondContact O-CG1 3.46Å; V1742-I1746 PolarHBondContact O-N 3.16Å; V1742-I1746 VanDerWaalsContact O-N 3.11Å; Q1743-I1746 PolarHBondContact O-N 3.15Å; N1744-I1746 VanDerWaalsContact C-N 3.33Å; N1744-I1746 PolarHBondContact O-N 3.16Å; I1746-C1750 PolarHBondContact O-N 3.18Å; I1746-P1752 HydrophobicContact CG2-CG 3.99Å; I1746-L1825 HydrophobicContact CD1-CB 3.84Å; I1746-L1825 HydrophobicContact CD1-CD1 3.87Å; I1746-L1825 HydrophobicContact CD1-CD2 3.77Å; I1746-L1825 HydrophobicContact CD1-CG 4.12Å; I1746-L1825 HydrophobicContact CG1-CD1 4.09Å; I1746-L1825 HydrophobicContact CG1-CD2 4.16Å; I1746-K1826 HydrophobicContact CD1-CB 4.21Å |
| 1747 | H | 70.1 | Confident | 75.5 | Confident | 65.4 Ų | 65.4 | 41.6 Ų | 41.6 | 30% | 0.303 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71 | -42.2 | -177.8 | -89.6 | -42 | 0 | 0 | 0 | 112.8 | Q1743 N1744 T1745 T1749 R1834 H1860 M1927 | Q1743-H1747 WeakPolarHBondContact O-CB 3.3Å; Q1743-H1747 PolarHBondContact O-CD2 3.38Å; Q1743-H1747 PolarHBondContact O-N 3.1Å; Q1743-H1747 VanDerWaalsContact O-N 3.12Å; N1744-H1747 PolarHBondContact O-N 2.92Å; N1744-H1747 VanDerWaalsContact O-N 3.13Å; T1745-H1747 VanDerWaalsContact C-N 3.32Å; T1745-H1747 PolarHBondContact O-N 3.13Å; H1747-T1749 PolarHBondContact O-N 3.23Å; H1747-R1834 PolarHBondContact NE2-NH2 3.49Å; H1747-H1860 AromaticContact ND1-NE2 3.81Å; H1747-H1860 PolarHBondContact O-CE1 2.89Å; H1747-M1927 VanDerWaalsContact CE1-CE 3.48Å; H1747-M1927 WeakPolarHBondContact CE1-CE 3.25Å |
| 1748 | H | 72.2 | Confident | 76.8 | Confident | 95.6 Ų | 95.6 | 38.1 Ų | 38.1 | 44% | 0.443 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.2 | -34.4 | 179.4 | -70.1 | -59.9 | 0 | 0 | 0 | 113 | E1581 N1744 L1861 | E1581-H1748 IonicContact OE1-CD2 3.41Å; E1581-H1748 PolarHBondContact OE1-CD2 3Å; E1581-H1748 IonicContact OE1-CG 2.82Å; N1744-H1748 WeakPolarHBondContact O-CB 3.32Å; N1744-H1748 PolarHBondContact O-CD2 3.24Å; N1744-H1748 PolarHBondContact O-N 3.13Å; H1748-L1861 WeakPolarHBondContact O-CD2 3.16Å |
| 1749 | T | 74.3 | Confident | 78 | Confident | 7.2 Ų | 7.2 | 37.6 Ų | 37.6 | 4% | 0.044 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -89.5 | -9.5 | -177.4 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | E1581 I1584 L1588 T1745 H1747 L1751 | E1581-T1749 HydrophobicContact CB-CG2 4.37Å; E1581-T1749 HydrophobicContact CG-CG2 4.27Å; I1584-T1749 HydrophobicContact CB-CG2 3.94Å; I1584-T1749 HydrophobicContact CD1-CG2 4.43Å; I1584-T1749 HydrophobicContact CG2-CG2 3.63Å; L1588-T1749 WeakPolarHBondContact CD1-O 3.29Å; T1745-T1749 HydrophobicContact CG2-CG2 4.4Å; T1745-T1749 WeakPolarHBondContact O-CB 3.4Å; T1745-T1749 VanDerWaalsContact O-CG2 3.27Å; T1745-T1749 WeakPolarHBondContact O-CG2 3.35Å; T1745-T1749 PolarHBondContact O-N 3.06Å; T1745-T1749 VanDerWaalsContact O-N 3.11Å; T1745-T1749 PolarHBondContact O-OG1 3.08Å; H1747-T1749 PolarHBondContact O-N 3.23Å; T1749-L1751 PolarHBondContact O-N 3.35Å; T1749-L1751 VanDerWaalsContact O-N 3.1Å; T1749-L1751 WeakPolarHBondContact OG1-CB 3.07Å |
| 1750 | C | 77.3 | Confident | 78.9 | Confident | 27.6 Ų | 27.6 | 32.9 Ų | 32.9 | 19% | 0.186 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 20.9 | -174.8 | -62.7 | 0 | 0 | 0 | 0 | 114.6 | I1746 P1752 S1753 V1754 H1860 W1863 | I1746-C1750 PolarHBondContact O-N 3.18Å; C1750-P1752 VanDerWaalsContact C-CD 3.47Å; C1750-P1752 VanDerWaalsContact O-N 3.14Å; C1750-S1753 WeakPolarHBondContact O-CB 3.34Å; C1750-S1753 PolarHBondContact O-N 3.16Å; C1750-V1754 HydrophobicContact CB-CG2 4.39Å; C1750-V1754 PolarHBondContact O-N 3.02Å; C1750-H1860 PolarHBondContact SG-ND1 3.04Å; C1750-W1863 HydrophobicContact CB-CB 4.27Å; C1750-W1863 HydrophobicContact CB-CG 4.37Å |
| 1751 | L | 84.1 | Confident | 79.7 | Confident | 3.4 Ų | 3.4 | 25.6 Ų | 25.6 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -45.5 | -47.4 | -169.1 | 172.4 | 64.3 | 0 | 0 | 0 | 115.3 | I1584 L1588 L1661 V1665 T1749 S1753 V1754 V1755 I1822 | I1584-L1751 HydrophobicContact CG2-CD1 4.36Å; L1588-L1751 HydrophobicContact CD1-CB 4.47Å; L1588-L1751 HydrophobicContact CD1-CD1 4.34Å; L1588-L1751 HydrophobicContact CD2-CD1 3.89Å; L1588-L1751 HydrophobicContact CG-CD1 4.42Å; L1661-L1751 HydrophobicContact CD1-CD1 4.44Å; L1661-L1751 HydrophobicContact CD2-CD1 4.16Å; L1661-L1751 HydrophobicContact CG-CD1 4.11Å; V1665-L1751 HydrophobicContact CG2-CD2 3.83Å; T1749-L1751 PolarHBondContact O-N 3.35Å; T1749-L1751 VanDerWaalsContact O-N 3.1Å; T1749-L1751 WeakPolarHBondContact OG1-CB 3.07Å; L1751-S1753 VanDerWaalsContact C-N 3.32Å; L1751-S1753 PolarHBondContact O-N 3.11Å; L1751-V1754 PolarHBondContact O-N 3.17Å; L1751-V1755 HydrophobicContact CD1-CG2 3.87Å; L1751-V1755 WeakPolarHBondContact O-CB 3.44Å; L1751-V1755 VanDerWaalsContact O-CG2 3.3Å; L1751-V1755 WeakPolarHBondContact O-CG2 3.38Å; L1751-V1755 PolarHBondContact O-N 3.14Å; L1751-V1755 VanDerWaalsContact O-N 3.14Å; L1751-I1822 HydrophobicContact CD1-CD1 3.95Å; L1751-I1822 HydrophobicContact CD2-CD1 4.21Å; L1751-I1822 HydrophobicContact CD2-CG1 4.07Å; L1751-I1822 HydrophobicContact CG-CD1 3.75Å; L1751-I1822 HydrophobicContact CG-CG1 4.13Å |
| 1752 | P | 83.5 | Confident | 80.4 | Confident | 9.8 Ų | 9.8 | 23.6 Ų | 23.6 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 179.8 | -20.2 | 32.3 | 0 | 0 | 0 | 113.2 | I1746 C1750 L1756 I1822 P1827 | I1746-P1752 HydrophobicContact CG2-CG 3.99Å; C1750-P1752 VanDerWaalsContact C-CD 3.47Å; C1750-P1752 VanDerWaalsContact O-N 3.14Å; P1752-L1756 WeakPolarHBondContact O-CB 3.36Å; P1752-L1756 WeakPolarHBondContact O-CD1 3.45Å; P1752-L1756 VanDerWaalsContact O-CG 3.29Å; P1752-L1756 WeakPolarHBondContact O-CG 3.39Å; P1752-L1756 PolarHBondContact O-N 3.23Å; P1752-L1756 VanDerWaalsContact O-N 3.12Å; P1752-I1822 HydrophobicContact CB-CG2 4.04Å; P1752-I1822 HydrophobicContact CG-CG2 3.83Å; P1752-P1827 HydrophobicContact CG-CB 4.45Å |
| 1753 | S | 80.1 | Confident | 80.9 | Confident | 22.4 Ų | 22.4 | 23.4 Ų | 23.4 | 16% | 0.157 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67 | -49.9 | -179.5 | -144.8 | 0 | 0 | 0 | 0 | 110.8 | C1750 L1751 V1755 L1756 H1757 Q1934 | C1750-S1753 WeakPolarHBondContact O-CB 3.34Å; C1750-S1753 PolarHBondContact O-N 3.16Å; L1751-S1753 VanDerWaalsContact C-N 3.32Å; L1751-S1753 PolarHBondContact O-N 3.11Å; S1753-V1755 VanDerWaalsContact C-N 3.33Å; S1753-V1755 PolarHBondContact O-N 3.11Å; S1753-L1756 WeakPolarHBondContact O-CB 3.36Å; S1753-L1756 PolarHBondContact O-N 3.01Å; S1753-L1756 VanDerWaalsContact O-N 3.13Å; S1753-H1757 PolarHBondContact O-CD2 3.15Å; S1753-H1757 VanDerWaalsContact O-CD2 3.27Å; S1753-H1757 PolarHBondContact O-N 2.93Å; S1753-H1757 VanDerWaalsContact O-N 3.11Å; S1753-Q1934 VanDerWaalsContact CB-NE2 3.3Å; S1753-Q1934 WeakPolarHBondContact OG-CG 3.38Å; S1753-Q1934 PolarHBondContact OG-NE2 3.23Å |
| 1754 | V | 83.2 | Confident | 81.4 | Confident | 3.4 Ų | 3.4 | 18.3 Ų | 18.3 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | -176.9 | -174.5 | 0 | 0 | 0 | 0 | 111 | L1588 C1592 C1750 L1751 L1756 H1757 C1758 W1863 | L1588-V1754 HydrophobicContact CB-CG1 4.24Å; L1588-V1754 HydrophobicContact CD1-CB 4.38Å; L1588-V1754 HydrophobicContact CD1-CG2 4.38Å; L1588-V1754 HydrophobicContact CD2-CB 3.96Å; L1588-V1754 HydrophobicContact CD2-CG1 3.86Å; L1588-V1754 HydrophobicContact CG-CG1 4.46Å; C1592-V1754 WeakPolarHBondContact SG-CG1 3.39Å; C1750-V1754 HydrophobicContact CB-CG2 4.39Å; C1750-V1754 PolarHBondContact O-N 3.02Å; L1751-V1754 PolarHBondContact O-N 3.17Å; V1754-L1756 VanDerWaalsContact C-N 3.34Å; V1754-L1756 PolarHBondContact O-N 2.97Å; V1754-H1757 PolarHBondContact O-N 3.13Å; V1754-C1758 WeakPolarHBondContact O-CB 3.42Å; V1754-C1758 PolarHBondContact O-N 3.28Å; V1754-C1758 PolarHBondContact O-SG 3.25Å; V1754-C1758 VanDerWaalsContact O-SG 3.38Å; V1754-W1863 HydrophobicContact CB-CH2 4.11Å; V1754-W1863 HydrophobicContact CB-CZ3 4.21Å; V1754-W1863 HydrophobicContact CG1-CE3 4.39Å; V1754-W1863 HydrophobicContact CG1-CH2 3.75Å; V1754-W1863 VanDerWaalsContact CG1-CH2 3.49Å; V1754-W1863 HydrophobicContact CG1-CZ2 4.22Å; V1754-W1863 HydrophobicContact CG1-CZ3 3.89Å; V1754-W1863 HydrophobicContact CG2-CD2 3.78Å; V1754-W1863 HydrophobicContact CG2-CE3 3.67Å; V1754-W1863 VanDerWaalsContact CG2-CE3 3.49Å; V1754-W1863 HydrophobicContact CG2-CG 4.3Å; V1754-W1863 HydrophobicContact CG2-CH2 3.82Å; V1754-W1863 HydrophobicContact CG2-CZ2 4.2Å; V1754-W1863 HydrophobicContact CG2-CZ3 3.7Å; V1754-W1863 VanDerWaalsContact CG2-CZ3 3.43Å |
| 1755 | V | 87.6 | Confident | 82 | Confident | 0.2 Ų | 0.2 | 14.7 Ų | 14.7 | 0% | 0.001 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | 177.7 | 173 | 0 | 0 | 0 | 0 | 112 | L1588 M1591 L1751 S1753 H1757 C1758 L1759 L1818 F1819 I1822 | L1588-V1755 HydrophobicContact CD2-CG2 4.24Å; M1591-V1755 HydrophobicContact CE-CG2 4.34Å; L1751-V1755 HydrophobicContact CD1-CG2 3.87Å; L1751-V1755 WeakPolarHBondContact O-CB 3.44Å; L1751-V1755 VanDerWaalsContact O-CG2 3.3Å; L1751-V1755 WeakPolarHBondContact O-CG2 3.38Å; L1751-V1755 PolarHBondContact O-N 3.14Å; L1751-V1755 VanDerWaalsContact O-N 3.14Å; S1753-V1755 VanDerWaalsContact C-N 3.33Å; S1753-V1755 PolarHBondContact O-N 3.11Å; V1755-H1757 PolarHBondContact O-N 3.01Å; V1755-C1758 PolarHBondContact O-N 3.36Å; V1755-L1759 VanDerWaalsContact O-CB 3.29Å; V1755-L1759 WeakPolarHBondContact O-CB 3.32Å; V1755-L1759 PolarHBondContact O-N 3.18Å; V1755-L1818 HydrophobicContact CG1-CD2 4.11Å; V1755-L1818 HydrophobicContact CG1-CG 4.17Å; V1755-L1818 HydrophobicContact CG2-CD2 3.67Å; V1755-L1818 HydrophobicContact CG2-CG 4.16Å; V1755-F1819 HydrophobicContact CG1-CB 4.15Å; V1755-F1819 HydrophobicContact CG1-CD2 4.29Å; V1755-I1822 HydrophobicContact CB-CD1 4.05Å; V1755-I1822 HydrophobicContact CG1-CD1 4.14Å; V1755-I1822 HydrophobicContact CG2-CD1 3.78Å |
| 1756 | L | 85.7 | Confident | 82.4 | Confident | 0.6 Ų | 0.6 | 14.9 Ų | 14.9 | 0% | 0.003 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.3 | -79.6 | 169.7 | 0 | 0 | 0 | 112.7 | P1752 S1753 V1754 L1759 A1760 F1819 W1828 Q1934 L1937 F1938 L1941 | P1752-L1756 WeakPolarHBondContact O-CB 3.36Å; P1752-L1756 WeakPolarHBondContact O-CD1 3.45Å; P1752-L1756 VanDerWaalsContact O-CG 3.29Å; P1752-L1756 WeakPolarHBondContact O-CG 3.39Å; P1752-L1756 PolarHBondContact O-N 3.23Å; P1752-L1756 VanDerWaalsContact O-N 3.12Å; S1753-L1756 WeakPolarHBondContact O-CB 3.36Å; S1753-L1756 PolarHBondContact O-N 3.01Å; S1753-L1756 VanDerWaalsContact O-N 3.13Å; V1754-L1756 VanDerWaalsContact C-N 3.34Å; V1754-L1756 PolarHBondContact O-N 2.97Å; L1756-L1759 WeakPolarHBondContact O-CB 3.39Å; L1756-L1759 PolarHBondContact O-N 3.22Å; L1756-A1760 PolarHBondContact O-N 3.25Å; L1756-F1819 HydrophobicContact CD1-CE2 4.09Å; L1756-F1819 HydrophobicContact CD1-CZ 4.36Å; L1756-F1819 HydrophobicContact CD2-CD2 4.25Å; L1756-F1819 HydrophobicContact CD2-CE1 4.22Å; L1756-F1819 HydrophobicContact CD2-CE2 3.65Å; L1756-F1819 HydrophobicContact CD2-CZ 3.64Å; L1756-F1819 VanDerWaalsContact CD2-CZ 3.5Å; L1756-F1819 HydrophobicContact CG-CD2 4.31Å; L1756-F1819 HydrophobicContact CG-CE2 3.68Å; L1756-F1819 HydrophobicContact CG-CZ 4.12Å; L1756-W1828 HydrophobicContact CD1-CH2 4.07Å; L1756-Q1934 HydrophobicContact CD1-CB 3.75Å; L1756-Q1934 HydrophobicContact CD1-CG 4.14Å; L1756-L1937 HydrophobicContact CB-CD2 3.84Å; L1756-L1937 HydrophobicContact CD2-CD2 4.41Å; L1756-L1937 HydrophobicContact CG-CD2 4.49Å; L1756-F1938 HydrophobicContact CD2-CB 3.86Å; L1756-F1938 HydrophobicContact CD2-CD2 3.88Å; L1756-F1938 HydrophobicContact CD2-CG 4.28Å; L1756-L1941 HydrophobicContact CD2-CD1 4.35Å |
| 1757 | H | 85.3 | Confident | 82.6 | Confident | 29.6 Ų | 29.6 | 14.1 Ų | 14.1 | 14% | 0.137 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.5 | -36.3 | 175.1 | -78.5 | -89.8 | 0 | 0 | 0 | 112.5 | P1487 V1488 H1491 S1753 V1754 V1755 L1759 A1760 S1761 | P1487-H1757 PolarHBondContact O-CE1 3.28Å; P1487-H1757 VanDerWaalsContact O-CE1 3.26Å; V1488-H1757 PolarHBondContact O-ND1 3.12Å; H1491-H1757 HydrophobicContact CB-CB 4.27Å; H1491-H1757 AromaticContact CD2-CD2 3.37Å; H1491-H1757 PolarHBondContact CD2-CD2 3.37Å; H1491-H1757 AromaticContact CD2-CG 3.62Å; H1491-H1757 PolarHBondContact CE1-O 3.2Å; H1491-H1757 VanDerWaalsContact CE1-O 3.3Å; H1491-H1757 WeakPolarHBondContact ND1-CB 3.34Å; H1491-H1757 AromaticContact NE2-CD2 3.55Å; H1491-H1757 PolarHBondContact NE2-O 3.11Å; S1753-H1757 PolarHBondContact O-CD2 3.15Å; S1753-H1757 VanDerWaalsContact O-CD2 3.27Å; S1753-H1757 PolarHBondContact O-N 2.93Å; S1753-H1757 VanDerWaalsContact O-N 3.11Å; V1754-H1757 PolarHBondContact O-N 3.13Å; V1755-H1757 PolarHBondContact O-N 3.01Å; H1757-L1759 VanDerWaalsContact C-N 3.29Å; H1757-L1759 PolarHBondContact O-N 3.06Å; H1757-A1760 WeakPolarHBondContact O-CB 3.43Å; H1757-A1760 PolarHBondContact O-N 2.97Å; H1757-S1761 WeakPolarHBondContact O-CB 3.48Å; H1757-S1761 PolarHBondContact O-N 3.09Å; H1757-S1761 PolarHBondContact O-OG 3.03Å |
| 1758 | C | 87.2 | Confident | 83 | Confident | 12.2 Ų | 12.2 | 11.7 Ų | 11.7 | 8% | 0.082 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 170 | -72.5 | 0 | 0 | 0 | 0 | 112.2 | M1591 C1592 V1754 V1755 A1760 S1761 C1762 L1815 | M1591-C1758 HydrophobicContact CE-CB 4.1Å; C1592-C1758 VanDerWaalsContact SG-SG 3.65Å; V1754-C1758 WeakPolarHBondContact O-CB 3.42Å; V1754-C1758 PolarHBondContact O-N 3.28Å; V1754-C1758 PolarHBondContact O-SG 3.25Å; V1754-C1758 VanDerWaalsContact O-SG 3.38Å; V1755-C1758 PolarHBondContact O-N 3.36Å; C1758-A1760 VanDerWaalsContact C-N 3.34Å; C1758-S1761 WeakPolarHBondContact O-CB 3.37Å; C1758-S1761 PolarHBondContact O-N 3.21Å; C1758-C1762 WeakPolarHBondContact O-CB 3.37Å; C1758-C1762 PolarHBondContact O-N 3.13Å; C1758-L1815 HydrophobicContact CB-CD2 4.29Å |
| 1759 | L | 88.3 | Confident | 83 | Confident | 0.2 Ų | 0.2 | 7.3 Ų | 7.3 | 0% | 0.001 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 174.7 | -173.1 | 82 | 0 | 0 | 0 | 110.9 | V1755 L1756 H1757 S1761 C1762 I1763 L1812 L1815 L1816 F1938 L1941 W1975 | V1755-L1759 VanDerWaalsContact O-CB 3.29Å; V1755-L1759 WeakPolarHBondContact O-CB 3.32Å; V1755-L1759 PolarHBondContact O-N 3.18Å; L1756-L1759 WeakPolarHBondContact O-CB 3.39Å; L1756-L1759 PolarHBondContact O-N 3.22Å; H1757-L1759 VanDerWaalsContact C-N 3.29Å; H1757-L1759 PolarHBondContact O-N 3.06Å; L1759-S1761 PolarHBondContact O-N 2.95Å; L1759-C1762 WeakPolarHBondContact O-CB 3.38Å; L1759-C1762 PolarHBondContact O-N 3.26Å; L1759-C1762 VanDerWaalsContact O-N 3.13Å; L1759-I1763 HydrophobicContact CD1-CD1 4.23Å; L1759-I1763 HydrophobicContact CD2-CD1 4.04Å; L1759-I1763 HydrophobicContact CD2-CG1 4.03Å; L1759-I1763 HydrophobicContact CG-CD1 3.92Å; L1759-I1763 WeakPolarHBondContact O-CG1 3.46Å; L1759-I1763 PolarHBondContact O-N 3.17Å; L1759-L1812 HydrophobicContact CD1-CD1 3.67Å; L1759-L1815 HydrophobicContact CD1-CB 4.05Å; L1759-L1816 HydrophobicContact CD1-CD2 3.96Å; L1759-L1816 HydrophobicContact CD1-CG 4.25Å; L1759-L1816 HydrophobicContact CD2-CD2 4.19Å; L1759-F1938 HydrophobicContact CD2-CD2 4.34Å; L1759-F1938 HydrophobicContact CD2-CE2 4.25Å; L1759-L1941 HydrophobicContact CB-CD1 4.18Å; L1759-L1941 HydrophobicContact CD2-CB 4.26Å; L1759-L1941 HydrophobicContact CD2-CD1 3.98Å; L1759-L1941 HydrophobicContact CD2-CG 4.49Å; L1759-L1941 HydrophobicContact CG-CD1 4.06Å; L1759-W1975 HydrophobicContact CD2-CH2 4.2Å |
| 1760 | A | 85.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.5 | -49.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1488 L1756 H1757 C1758 C1762 I1763 M1764 L1906 L1937 L1941 | V1488-A1760 HydrophobicContact CG1-CB 3.45Å; V1488-A1760 VanDerWaalsContact CG1-CB 3.45Å; L1756-A1760 PolarHBondContact O-N 3.25Å; H1757-A1760 WeakPolarHBondContact O-CB 3.43Å; H1757-A1760 PolarHBondContact O-N 2.97Å; C1758-A1760 VanDerWaalsContact C-N 3.34Å; A1760-C1762 VanDerWaalsContact C-N 3.25Å; A1760-C1762 PolarHBondContact O-N 3.24Å; A1760-I1763 PolarHBondContact O-N 3.24Å; A1760-M1764 HydrophobicContact CB-CE 4.31Å; A1760-M1764 WeakPolarHBondContact O-CB 3.48Å; A1760-M1764 VanDerWaalsContact O-CG 3.22Å; A1760-M1764 WeakPolarHBondContact O-CG 3.3Å; A1760-M1764 PolarHBondContact O-N 2.93Å; A1760-L1906 HydrophobicContact CB-CD2 4.45Å; A1760-L1937 HydrophobicContact CB-CD1 4.47Å; A1760-L1941 VanDerWaalsContact CA-CD2 3.44Å; A1760-L1941 HydrophobicContact CB-CD1 4Å; A1760-L1941 HydrophobicContact CB-CD2 3.65Å; A1760-L1941 HydrophobicContact CB-CG 4.4Å |
| 1761 | S | 85.4 | Confident | 81.5 | Confident | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.3 | -32.7 | 174.6 | -75.1 | 0 | 0 | 0 | 0 | 113.1 | H1491 H1757 C1758 L1759 K1765 I1794 | H1491-S1761 PolarHBondContact CE1-OG 3.07Å; H1491-S1761 PolarHBondContact NE2-OG 3.15Å; H1757-S1761 WeakPolarHBondContact O-CB 3.48Å; H1757-S1761 PolarHBondContact O-N 3.09Å; H1757-S1761 PolarHBondContact O-OG 3.03Å; C1758-S1761 WeakPolarHBondContact O-CB 3.37Å; C1758-S1761 PolarHBondContact O-N 3.21Å; L1759-S1761 PolarHBondContact O-N 2.95Å; S1761-K1765 WeakPolarHBondContact O-CE 3.45Å; S1761-K1765 WeakPolarHBondContact O-CG 3.45Å; S1761-K1765 PolarHBondContact O-N 3.16Å; S1761-I1794 WeakPolarHBondContact OG-CD1 3.37Å |
| 1762 | C | 87.5 | Confident | 80 | Confident | 2.2 Ų | 2.2 | 16.9 Ų | 16.9 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.6 | -48 | 175.7 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | C1758 L1759 A1760 M1764 K1765 V1766 L1815 | C1758-C1762 WeakPolarHBondContact O-CB 3.37Å; C1758-C1762 PolarHBondContact O-N 3.13Å; L1759-C1762 WeakPolarHBondContact O-CB 3.38Å; L1759-C1762 PolarHBondContact O-N 3.26Å; L1759-C1762 VanDerWaalsContact O-N 3.13Å; A1760-C1762 VanDerWaalsContact C-N 3.25Å; A1760-C1762 PolarHBondContact O-N 3.24Å; C1762-M1764 VanDerWaalsContact C-N 3.29Å; C1762-M1764 PolarHBondContact O-N 3Å; C1762-K1765 WeakPolarHBondContact O-CA 3.4Å; C1762-K1765 WeakPolarHBondContact O-CB 3.28Å; C1762-K1765 PolarHBondContact O-N 3.14Å; C1762-K1765 VanDerWaalsContact O-N 3.13Å; C1762-V1766 WeakPolarHBondContact O-CB 3.35Å; C1762-V1766 VanDerWaalsContact O-CG2 3.23Å; C1762-V1766 WeakPolarHBondContact O-CG2 3.36Å; C1762-V1766 PolarHBondContact O-N 2.93Å; C1762-L1815 HydrophobicContact CB-CD1 3.58Å |
| 1763 | I | 85.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.7 | -42.5 | 177.6 | -71.8 | 169.8 | 0 | 0 | 0 | 110.8 | L1759 A1760 K1765 V1766 H1767 L1812 L1941 I1944 W1975 | L1759-I1763 HydrophobicContact CD1-CD1 4.23Å; L1759-I1763 HydrophobicContact CD2-CD1 4.04Å; L1759-I1763 HydrophobicContact CD2-CG1 4.03Å; L1759-I1763 HydrophobicContact CG-CD1 3.92Å; L1759-I1763 WeakPolarHBondContact O-CG1 3.46Å; L1759-I1763 PolarHBondContact O-N 3.17Å; A1760-I1763 PolarHBondContact O-N 3.24Å; I1763-K1765 VanDerWaalsContact C-N 3.33Å; I1763-K1765 PolarHBondContact O-N 3.26Å; I1763-V1766 PolarHBondContact O-N 3.16Å; I1763-V1766 VanDerWaalsContact O-N 3.13Å; I1763-H1767 WeakPolarHBondContact O-CB 3.4Å; I1763-H1767 PolarHBondContact O-CD2 3.11Å; I1763-H1767 PolarHBondContact O-N 2.99Å; I1763-L1812 HydrophobicContact CG1-CD1 4.19Å; I1763-L1941 HydrophobicContact CB-CD2 4.41Å; I1763-L1941 HydrophobicContact CD1-CB 3.77Å; I1763-L1941 HydrophobicContact CD1-CD1 4.25Å; I1763-L1941 HydrophobicContact CD1-CD2 3.95Å; I1763-L1941 HydrophobicContact CD1-CG 4.24Å; I1763-L1941 WeakPolarHBondContact CD1-O 3.41Å; I1763-L1941 HydrophobicContact CG1-CD2 4.47Å; I1763-I1944 HydrophobicContact CG2-CB 4.33Å; I1763-I1944 HydrophobicContact CG2-CG2 3.66Å; I1763-W1975 HydrophobicContact CD1-CH2 3.82Å; I1763-W1975 HydrophobicContact CD1-CZ2 3.7Å; I1763-W1975 HydrophobicContact CG1-CZ2 4.24Å |
| 1764 | M | 83.6 | Confident | 77.1 | Confident | 3.2 Ų | 3.2 | 29.6 Ų | 29.6 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 174.4 | -70.2 | 177.8 | -37.2 | 0 | 0 | 112.8 | V1488 N1489 A1760 C1762 V1766 W1768 L1791 I1794 L1906 F1907 F1965 | V1488-M1764 HydrophobicContact CB-CE 4.19Å; V1488-M1764 HydrophobicContact CG1-CE 3.75Å; V1488-M1764 HydrophobicContact CG1-SD 4.15Å; N1489-M1764 WeakPolarHBondContact OD1-CE 3.45Å; A1760-M1764 HydrophobicContact CB-CE 4.31Å; A1760-M1764 WeakPolarHBondContact O-CB 3.48Å; A1760-M1764 VanDerWaalsContact O-CG 3.22Å; A1760-M1764 WeakPolarHBondContact O-CG 3.3Å; A1760-M1764 PolarHBondContact O-N 2.93Å; C1762-M1764 VanDerWaalsContact C-N 3.29Å; C1762-M1764 PolarHBondContact O-N 3Å; M1764-V1766 VanDerWaalsContact C-N 3.32Å; M1764-V1766 PolarHBondContact O-N 3.43Å; M1764-W1768 WeakPolarHBondContact O-CB 3.26Å; M1764-W1768 PolarHBondContact O-N 3.27Å; M1764-L1791 HydrophobicContact CE-CD2 3.74Å; M1764-L1791 HydrophobicContact SD-CD2 3.68Å; M1764-I1794 HydrophobicContact CE-CD1 4.11Å; M1764-I1794 HydrophobicContact SD-CD1 4.26Å; M1764-L1906 HydrophobicContact CG-CD1 4.13Å; M1764-L1906 HydrophobicContact CG-CD2 4.36Å; M1764-L1906 HydrophobicContact SD-CD1 4.48Å; M1764-L1906 HydrophobicContact SD-CD2 4.05Å; M1764-F1907 HydrophobicContact CE-CE1 4.11Å; M1764-F1907 HydrophobicContact CE-CZ 3.84Å; M1764-F1907 HydrophobicContact SD-CE1 4.13Å; M1764-F1907 HydrophobicContact SD-CZ 4.11Å; M1764-F1965 HydrophobicContact CG-CE1 4.34Å; M1764-F1965 HydrophobicContact CG-CZ 4.13Å |
| 1765 | K | 83.4 | Confident | 75.8 | Confident | 4.6 Ų | 4.6 | 32.8 Ų | 32.8 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.3 | -34.1 | 175.6 | -64.6 | 169.4 | -167.4 | 171.8 | 0 | 113.2 | Y1594 S1761 C1762 I1763 K1770 I1794 D1798 Q1808 | Y1594-K1765 WeakPolarHBondContact OH-CE 3.4Å; Y1594-K1765 PolarHBondContact OH-NZ 3.17Å; S1761-K1765 WeakPolarHBondContact O-CE 3.45Å; S1761-K1765 WeakPolarHBondContact O-CG 3.45Å; S1761-K1765 PolarHBondContact O-N 3.16Å; C1762-K1765 WeakPolarHBondContact O-CA 3.4Å; C1762-K1765 WeakPolarHBondContact O-CB 3.28Å; C1762-K1765 PolarHBondContact O-N 3.14Å; C1762-K1765 VanDerWaalsContact O-N 3.13Å; I1763-K1765 VanDerWaalsContact C-N 3.33Å; I1763-K1765 PolarHBondContact O-N 3.26Å; K1765-K1770 PolarHBondContact O-NZ 3.04Å; K1765-I1794 HydrophobicContact CD-CG2 4.34Å; K1765-I1794 VanDerWaalsContact CE-CG2 3.5Å; K1765-I1794 HydrophobicContact CG-CG2 3.72Å; K1765-D1798 HydrophobicContact CG-CB 4.44Å; K1765-Q1808 PolarHBondContact O-NE2 3.18Å |
| 1766 | V | 82.7 | Confident | 74.1 | Confident | 5.6 Ų | 5.6 | 34.9 Ų | 34.9 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -78.5 | -36.8 | -172.5 | 166.5 | 0 | 0 | 0 | 0 | 112.3 | C1762 I1763 M1764 Q1808 L1812 R1968 L1971 | C1762-V1766 WeakPolarHBondContact O-CB 3.35Å; C1762-V1766 VanDerWaalsContact O-CG2 3.23Å; C1762-V1766 WeakPolarHBondContact O-CG2 3.36Å; C1762-V1766 PolarHBondContact O-N 2.93Å; I1763-V1766 PolarHBondContact O-N 3.16Å; I1763-V1766 VanDerWaalsContact O-N 3.13Å; M1764-V1766 VanDerWaalsContact C-N 3.32Å; M1764-V1766 PolarHBondContact O-N 3.43Å; V1766-Q1808 HydrophobicContact CG2-CB 3.93Å; V1766-L1812 HydrophobicContact CG1-CD2 4.37Å; V1766-R1968 VanDerWaalsContact O-CD 3.26Å; V1766-R1968 WeakPolarHBondContact O-CD 3.37Å; V1766-R1968 PolarHBondContact O-NH1 3.16Å; V1766-L1971 HydrophobicContact CG1-CD1 3.28Å |
| 1767 | H | 81 | Confident | 72.6 | Confident | 0.2 Ų | 0.2 | 40 Ų | 40 | 0% | 0.001 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -104 | 2.3 | -176.9 | -68.2 | -97.4 | 0 | 0 | 0 | 113.9 | I1763 I1944 F1965 T1966 | I1763-H1767 WeakPolarHBondContact O-CB 3.4Å; I1763-H1767 PolarHBondContact O-CD2 3.11Å; I1763-H1767 PolarHBondContact O-N 2.99Å; H1767-I1944 HydrophobicContact CB-CG2 4.4Å; H1767-I1944 PolarHBondContact CE1-O 3.21Å; H1767-F1965 HydrophobicContact CB-CB 4.12Å; H1767-F1965 HydrophobicContact CB-CD1 4.03Å; H1767-F1965 HydrophobicContact CB-CG 4.38Å; H1767-T1966 VanDerWaalsContact C-OG1 3.3Å; H1767-T1966 PolarHBondContact ND1-O 2.84Å; H1767-T1966 PolarHBondContact O-N 3.19Å; H1767-T1966 PolarHBondContact O-OG1 3.14Å |
| 1768 | W | 79.9 | Confident | 71.3 | Confident | 15.6 Ų | 15.6 | 40.5 Ų | 40.5 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -60 | 134.5 | 176.6 | -164.2 | -94.6 | 0 | 0 | 0 | 111.8 | M1764 K1770 Y1778 L1787 L1795 L1901 F1964 F1965 | M1764-W1768 WeakPolarHBondContact O-CB 3.26Å; M1764-W1768 PolarHBondContact O-N 3.27Å; W1768-K1770 PolarHBondContact O-N 3Å; W1768-K1770 VanDerWaalsContact O-N 3.11Å; W1768-Y1778 PolarHBondContact NE1-O 2.93Å; W1768-L1787 HydrophobicContact CH2-CD1 3.61Å; W1768-L1787 HydrophobicContact CH2-CD2 4.3Å; W1768-L1787 HydrophobicContact CZ2-CD1 3.71Å; W1768-L1795 HydrophobicContact CB-CD2 4.33Å; W1768-L1795 HydrophobicContact CD2-CD1 4.02Å; W1768-L1795 HydrophobicContact CD2-CD2 3.59Å; W1768-L1795 HydrophobicContact CD2-CG 4.47Å; W1768-L1795 HydrophobicContact CE3-CD1 4.12Å; W1768-L1795 HydrophobicContact CE3-CD2 3.86Å; W1768-L1795 HydrophobicContact CG-CD2 3.79Å; W1768-L1795 HydrophobicContact CH2-CD1 3.68Å; W1768-L1795 HydrophobicContact CZ2-CD1 3.53Å; W1768-L1795 VanDerWaalsContact CZ2-CD1 3.45Å; W1768-L1795 HydrophobicContact CZ3-CD1 3.96Å; W1768-L1795 HydrophobicContact CZ3-CD2 4.43Å; W1768-L1901 HydrophobicContact CH2-CD1 4.4Å; W1768-F1964 HydrophobicContact CD2-CE1 4.16Å; W1768-F1964 AromaticContact CE3-CE1 3.85Å; W1768-F1964 HydrophobicContact CE3-CE1 3.85Å; W1768-F1964 HydrophobicContact CE3-CZ 4.47Å; W1768-F1964 AromaticContact CH2-CE1 3.64Å; W1768-F1964 HydrophobicContact CH2-CE1 3.64Å; W1768-F1964 AromaticContact CH2-CZ 3.67Å; W1768-F1964 HydrophobicContact CH2-CZ 3.67Å; W1768-F1964 AromaticContact CZ2-CE1 3.96Å; W1768-F1964 HydrophobicContact CZ2-CE1 3.97Å; W1768-F1964 AromaticContact CZ2-CZ 3.7Å; W1768-F1964 HydrophobicContact CZ2-CZ 3.7Å; W1768-F1964 AromaticContact CZ3-CE1 3.58Å; W1768-F1964 HydrophobicContact CZ3-CE1 3.58Å; W1768-F1964 HydrophobicContact CZ3-CZ 4.12Å; W1768-F1965 HydrophobicContact CE3-CE1 4.47Å |
| 1769 | P | 70.5 | Confident | 69.8 | Low | 1.4 Ų | 1.4 | 41.2 Ų | 41.2 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | trans | -64.5 | 112.9 | 176 | 25 | -32.7 | 0 | 0 | 0 | 111 | D1772 W1775 S1779 F1964 T1966 | P1769-D1772 HydrophobicContact CB-CB 4.49Å; P1769-W1775 HydrophobicContact CB-CB 4.41Å; P1769-W1775 HydrophobicContact CG-CB 4.33Å; P1769-S1779 WeakPolarHBondContact O-CB 3.34Å; P1769-F1964 VanDerWaalsContact CD-CE1 3.49Å; P1769-F1964 HydrophobicContact CG-CD1 4.39Å; P1769-F1964 HydrophobicContact CG-CE1 3.75Å; P1769-F1964 HydrophobicContact CG-CE2 4.22Å; P1769-F1964 HydrophobicContact CG-CZ 3.67Å; P1769-T1966 HydrophobicContact CB-CG2 3.86Å | ||
| 1770 | K | 66.3 | Low | 68.3 | Low | 84.8 Ų | 84.8 | 46.2 Ų | 46.2 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -105 | -8.6 | -179.8 | -68.7 | -178.8 | -180 | -175.2 | 0 | 113.7 | K1765 W1768 D1798 Q1808 | K1765-K1770 PolarHBondContact O-NZ 3.04Å; W1768-K1770 PolarHBondContact O-N 3Å; W1768-K1770 VanDerWaalsContact O-N 3.11Å; K1770-D1798 IonicContact NZ-OD2 3.2Å; K1770-D1798 PolarHBondContact NZ-OD2 3.07Å; K1770-D1798 VanDerWaalsContact NZ-OD2 3.09Å; K1770-Q1808 VanDerWaalsContact NZ-NE2 3.14Å |
| 1771 | T | 55.1 | Low | 66.9 | Low | 107.2 Ų | 107.2 | 48.6 Ų | 48.6 | 66% | 0.658 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -142.1 | -7.9 | -169.6 | 42.6 | 0 | 0 | 0 | 0 | 115.7 | K1773 | T1771-K1773 PolarHBondContact O-N 3.01Š|
| 1772 | D | 52.5 | Low | 65.5 | Low | 48.8 Ų | 48.8 | 52.7 Ų | 52.7 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | trans | -78.3 | 123.4 | -172 | -67.5 | -32.8 | 0 | 0 | 0 | 112.4 | P1769 N1774 W1775 S1776 T1966 | P1769-D1772 HydrophobicContact CB-CB 4.49Å; D1772-N1774 PolarHBondContact O-N 3.26Å; D1772-N1774 VanDerWaalsContact O-N 3.15Å; D1772-W1775 HydrophobicContact CB-CB 4.4Å; D1772-W1775 CarbonylContact O-C 3.44Å; D1772-W1775 PolarHBondContact O-N 2.96Å; D1772-W1775 VanDerWaalsContact O-N 3.14Å; D1772-S1776 WeakPolarHBondContact O-CA 3.4Å; D1772-S1776 PolarHBondContact O-N 3.18Å; D1772-S1776 VanDerWaalsContact O-N 3.08Å; D1772-T1966 WeakPolarHBondContact OD2-CG2 3.36Å | ||
| 1773 | K | 51.8 | Low | 64.3 | Low | 164 Ų | 164 | 52.7 Ų | 52.7 | 71% | 0.713 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.9 | 179.4 | -66.2 | 178.8 | -179.5 | 174.4 | 0 | 113.6 | T1771 W1775 S1776 N2031 | T1771-K1773 PolarHBondContact O-N 3.01Å; K1773-W1775 VanDerWaalsContact C-N 3.28Å; K1773-W1775 PolarHBondContact O-N 3.41Å; K1773-S1776 WeakPolarHBondContact O-CB 3.48Å; K1773-S1776 PolarHBondContact O-N 3.28Å; K1773-S1776 PolarHBondContact O-OG 3.15Å; K1773-N2031 PolarHBondContact NZ-OD1 3.34Å |
| 1774 | N | 51 | Low | 63.3 | Low | 134.8 Ų | 134.8 | 53.2 Ų | 53.2 | 72% | 0.721 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -20 | 179.8 | -63.8 | 11.5 | 0 | 0 | 0 | 112.8 | D1772 | D1772-N1774 PolarHBondContact O-N 3.26Å; D1772-N1774 VanDerWaalsContact O-N 3.15Å |
| 1775 | W | 55.5 | Low | 62.2 | Low | 70.6 Ų | 70.6 | 57.3 Ų | 57.3 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -125.2 | 17.7 | -178.2 | -55.6 | 117.1 | 0 | 0 | 0 | 111.8 | P1769 D1772 K1773 D1777 Y1778 S1779 A1900 F1964 | P1769-W1775 HydrophobicContact CB-CB 4.41Å; P1769-W1775 HydrophobicContact CG-CB 4.33Å; D1772-W1775 HydrophobicContact CB-CB 4.4Å; D1772-W1775 CarbonylContact O-C 3.44Å; D1772-W1775 PolarHBondContact O-N 2.96Å; D1772-W1775 VanDerWaalsContact O-N 3.14Å; K1773-W1775 VanDerWaalsContact C-N 3.28Å; K1773-W1775 PolarHBondContact O-N 3.41Å; W1775-D1777 PolarHBondContact O-N 3.21Å; W1775-D1777 VanDerWaalsContact O-N 3.11Å; W1775-Y1778 HydrophobicContact CE3-CD2 4.16Å; W1775-Y1778 AromaticContact CE3-CE2 3.86Å; W1775-Y1778 HydrophobicContact CE3-CE2 4.08Å; W1775-Y1778 HydrophobicContact CZ3-CE2 4.34Å; W1775-Y1778 PolarHBondContact O-N 3.08Å; W1775-Y1778 VanDerWaalsContact O-N 3.12Å; W1775-S1779 PolarHBondContact O-N 3.2Å; W1775-A1900 HydrophobicContact CH2-CB 3.87Å; W1775-A1900 HydrophobicContact CZ3-CB 4.04Å; W1775-F1964 HydrophobicContact CD2-CD2 4.43Å; W1775-F1964 HydrophobicContact CE3-CD2 4.44Å; W1775-F1964 HydrophobicContact CE3-CE2 4.48Å |
| 1776 | S | 51.9 | Low | 61.3 | Low | 44 Ų | 44 | 62.9 Ų | 62.9 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.4 | -31.8 | -178.6 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | D1772 K1773 Y1778 S1779 M1780 | D1772-S1776 WeakPolarHBondContact O-CA 3.4Å; D1772-S1776 PolarHBondContact O-N 3.18Å; D1772-S1776 VanDerWaalsContact O-N 3.08Å; K1773-S1776 WeakPolarHBondContact O-CB 3.48Å; K1773-S1776 PolarHBondContact O-N 3.28Å; K1773-S1776 PolarHBondContact O-OG 3.15Å; S1776-Y1778 VanDerWaalsContact C-N 3.29Å; S1776-Y1778 PolarHBondContact O-N 3.11Å; S1776-S1779 WeakPolarHBondContact CA-OG 3.41Å; S1776-S1779 CarbonylContact O-C 3.56Å; S1776-S1779 WeakPolarHBondContact O-CA 3.28Å; S1776-S1779 WeakPolarHBondContact O-CB 3.02Å; S1776-S1779 PolarHBondContact O-N 3.21Å; S1776-S1779 PolarHBondContact O-OG 3.18Å; S1776-M1780 WeakPolarHBondContact O-CB 3.42Å; S1776-M1780 VanDerWaalsContact O-CG 3.28Å; S1776-M1780 WeakPolarHBondContact O-CG 3.32Å; S1776-M1780 PolarHBondContact O-N 2.9Å; S1776-M1780 VanDerWaalsContact O-N 3.16Å |
| 1777 | D | 54.2 | Low | 60.8 | Low | 109 Ų | 109 | 63 Ų | 63 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.3 | -44 | 179.1 | -58.9 | -9.5 | 0 | 0 | 0 | 111.3 | W1775 M1780 G1783 | W1775-D1777 PolarHBondContact O-N 3.21Å; W1775-D1777 VanDerWaalsContact O-N 3.11Å; D1777-M1780 PolarHBondContact O-N 2.95Å; D1777-G1783 VanDerWaalsContact O-CA 3.23Å; D1777-G1783 WeakPolarHBondContact O-CA 3.3Å; D1777-G1783 PolarHBondContact O-N 3.07Å; D1777-G1783 VanDerWaalsContact O-N 3.08Å |
| 1778 | Y | 57.9 | Low | 60.4 | Low | 39.6 Ų | 39.6 | 63.2 Ų | 63.2 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -85.1 | -11.2 | 179.5 | -57.1 | -70.7 | 0 | 0 | 0 | 114.5 | W1768 W1775 S1776 I1784 Q1786 L1787 P1898 F1964 | W1768-Y1778 PolarHBondContact NE1-O 2.93Å; W1775-Y1778 HydrophobicContact CE3-CD2 4.16Å; W1775-Y1778 AromaticContact CE3-CE2 3.86Å; W1775-Y1778 HydrophobicContact CE3-CE2 4.08Å; W1775-Y1778 HydrophobicContact CZ3-CE2 4.34Å; W1775-Y1778 PolarHBondContact O-N 3.08Å; W1775-Y1778 VanDerWaalsContact O-N 3.12Å; S1776-Y1778 VanDerWaalsContact C-N 3.29Å; S1776-Y1778 PolarHBondContact O-N 3.11Å; Y1778-I1784 WeakPolarHBondContact O-CG1 3.39Å; Y1778-Q1786 HydrophobicContact CE1-CB 4.31Å; Y1778-L1787 HydrophobicContact CD1-CD2 4.44Å; Y1778-P1898 HydrophobicContact CE1-CB 4.35Å; Y1778-P1898 HydrophobicContact CE1-CG 3.81Å; Y1778-F1964 HydrophobicContact CD2-CE2 4.21Å; Y1778-F1964 HydrophobicContact CG-CE2 4.47Å |
| 1779 | S | 55.7 | Low | 60 | Low | 27.2 Ų | 27.2 | 63.8 Ų | 63.8 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -89.2 | -21.5 | 170.3 | 74 | 0 | 0 | 0 | 0 | 112.5 | P1769 W1775 S1776 | P1769-S1779 WeakPolarHBondContact O-CB 3.34Å; W1775-S1779 PolarHBondContact O-N 3.2Å; S1776-S1779 WeakPolarHBondContact CA-OG 3.41Å; S1776-S1779 CarbonylContact O-C 3.56Å; S1776-S1779 WeakPolarHBondContact O-CA 3.28Å; S1776-S1779 WeakPolarHBondContact O-CB 3.02Å; S1776-S1779 PolarHBondContact O-N 3.21Å; S1776-S1779 PolarHBondContact O-OG 3.18Å |
| 1780 | M | 57 | Low | 60.2 | Low | 104.2 Ų | 104.2 | 63.9 Ų | 63.9 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -79.9 | 150.9 | 170.2 | -68.3 | -59.3 | 100.7 | 0 | 0 | 111.1 | S1776 D1777 N1782 G1783 I1784 | S1776-M1780 WeakPolarHBondContact O-CB 3.42Å; S1776-M1780 VanDerWaalsContact O-CG 3.28Å; S1776-M1780 WeakPolarHBondContact O-CG 3.32Å; S1776-M1780 PolarHBondContact O-N 2.9Å; S1776-M1780 VanDerWaalsContact O-N 3.16Å; D1777-M1780 PolarHBondContact O-N 2.95Å; M1780-N1782 PolarHBondContact O-N 3.15Å; M1780-N1782 VanDerWaalsContact O-N 3.07Å; M1780-G1783 PolarHBondContact O-N 3.23Å; M1780-G1783 VanDerWaalsContact O-N 3.1Å; M1780-I1784 WeakPolarHBondContact O-CG1 3.33Å; M1780-I1784 PolarHBondContact O-N 3.21Å |
| 1781 | P | 56.7 | Low | 60.8 | Low | 51 Ų | 51 | 60 Ų | 60 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.9 | -23 | -179.7 | 13.1 | -21.9 | 0 | 0 | 0 | 114.1 | L1469 Y1472 I1634 F1636 I1784 K1785 | L1469-P1781 HydrophobicContact CD2-CB 4.45Å; L1469-P1781 HydrophobicContact CD2-CG 4.04Å; L1469-P1781 HydrophobicContact CG-CG 4.47Å; Y1472-P1781 HydrophobicContact CD1-CB 4.19Å; Y1472-P1781 HydrophobicContact CE1-CB 4.46Å; I1634-P1781 HydrophobicContact CB-CB 4.12Å; I1634-P1781 HydrophobicContact CG2-CB 4.1Å; I1634-P1781 WeakPolarHBondContact O-CB 3.48Å; I1634-P1781 WeakPolarHBondContact O-CG 3.4Å; F1636-P1781 HydrophobicContact CD2-CB 4.25Å; F1636-P1781 HydrophobicContact CE2-CB 3.58Å; F1636-P1781 HydrophobicContact CE2-CG 4.08Å; F1636-P1781 HydrophobicContact CZ-CB 3.96Å; P1781-I1784 PolarHBondContact O-N 3.02Å; P1781-K1785 PolarHBondContact O-N 2.81Å |
| 1782 | N | 56.5 | Low | 61.8 | Low | 88.4 Ų | 88.4 | 56.3 Ų | 56.3 | 47% | 0.473 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.1 | -43.2 | 179.6 | -67.3 | 22.1 | 0 | 0 | 0 | 113 | Y1472 S1632 I1634 M1780 I1784 K1785 | Y1472-N1782 WeakPolarHBondContact CD1-OD1 3.2Å; Y1472-N1782 VanDerWaalsContact CE1-OD1 3.28Å; Y1472-N1782 WeakPolarHBondContact CE1-OD1 3.35Å; Y1472-N1782 PolarHBondContact OH-ND2 3.26Å; Y1472-N1782 PolarHBondContact OH-OD1 2.94Å; S1632-N1782 PolarHBondContact O-ND2 3.41Å; I1634-N1782 WeakPolarHBondContact CB-OD1 3.36Å; I1634-N1782 HydrophobicContact CD1-CB 4.15Å; I1634-N1782 PolarHBondContact N-OD1 3.5Å; M1780-N1782 PolarHBondContact O-N 3.15Å; M1780-N1782 VanDerWaalsContact O-N 3.07Å; N1782-I1784 VanDerWaalsContact C-N 3.35Å; N1782-K1785 VanDerWaalsContact O-CB 3.31Å; N1782-K1785 WeakPolarHBondContact O-CB 3.33Å; N1782-K1785 PolarHBondContact O-N 3.13Å |
| 1783 | G | 60.8 | Low | 63.1 | Low | 3.4 Ų | 3.4 | 54.9 Ų | 54.9 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -79.8 | -22.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1777 M1780 K1785 Q1786 | D1777-G1783 VanDerWaalsContact O-CA 3.23Å; D1777-G1783 WeakPolarHBondContact O-CA 3.3Å; D1777-G1783 PolarHBondContact O-N 3.07Å; D1777-G1783 VanDerWaalsContact O-N 3.08Å; M1780-G1783 PolarHBondContact O-N 3.23Å; M1780-G1783 VanDerWaalsContact O-N 3.1Å; G1783-K1785 PolarHBondContact O-N 3.06Å; G1783-Q1786 WeakPolarHBondContact O-CB 3.39Å; G1783-Q1786 PolarHBondContact O-N 3.04Å; G1783-Q1786 VanDerWaalsContact O-N 3.1Å |
| 1784 | I | 64.7 | Low | 64.5 | Low | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.2 | -35.4 | 170.5 | -63.7 | 175.1 | 0 | 0 | 0 | 110.6 | F1636 Y1778 M1780 P1781 N1782 Q1786 L1787 Q1792 V1796 I1799 | F1636-I1784 HydrophobicContact CE2-CD1 4.41Å; F1636-I1784 HydrophobicContact CZ-CB 4.18Å; F1636-I1784 HydrophobicContact CZ-CG2 4.01Å; Y1778-I1784 WeakPolarHBondContact O-CG1 3.39Å; M1780-I1784 WeakPolarHBondContact O-CG1 3.33Å; M1780-I1784 PolarHBondContact O-N 3.21Å; P1781-I1784 PolarHBondContact O-N 3.02Å; N1782-I1784 VanDerWaalsContact C-N 3.35Å; I1784-Q1786 PolarHBondContact O-N 3.1Å; I1784-Q1786 VanDerWaalsContact O-N 3.13Å; I1784-L1787 WeakPolarHBondContact O-CB 3.35Å; I1784-L1787 PolarHBondContact O-N 3.14Å; I1784-L1787 VanDerWaalsContact O-N 3.09Å; I1784-Q1792 HydrophobicContact CG2-CB 4.3Å; I1784-Q1792 HydrophobicContact CG2-CG 4.1Å; I1784-Q1792 VanDerWaalsContact O-CG 3.26Å; I1784-Q1792 WeakPolarHBondContact O-CG 3.36Å; I1784-Q1792 PolarHBondContact O-NE2 3.2Å; I1784-Q1792 VanDerWaalsContact O-NE2 3.11Å; I1784-V1796 HydrophobicContact CG2-CG2 4.27Å; I1784-I1799 HydrophobicContact CD1-CD1 3.49Å; I1784-I1799 VanDerWaalsContact CD1-CD1 3.48Å |
| 1785 | K | 61.1 | Low | 65.9 | Low | 90.6 Ų | 90.6 | 41.1 Ų | 41.1 | 39% | 0.394 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.9 | 174.6 | -71.1 | -169.3 | 171.6 | -171.7 | 0 | 114.5 | Y1472 T1599 I1634 P1781 N1782 G1783 L1787 Q1792 | Y1472-K1785 HydrophobicContact CD1-CD 4Å; Y1472-K1785 VanDerWaalsContact CD1-CE 3.44Å; Y1472-K1785 HydrophobicContact CE1-CD 4.28Å; Y1472-K1785 WeakPolarHBondContact O-CE 3.39Å; Y1472-K1785 PolarHBondContact O-NZ 2.9Å; T1599-K1785 WeakPolarHBondContact OG1-CE 3.48Å; T1599-K1785 PolarHBondContact OG1-NZ 3.18Å; I1634-K1785 HydrophobicContact CD1-CD 3.75Å; I1634-K1785 HydrophobicContact CD1-CG 4.33Å; I1634-K1785 HydrophobicContact CG2-CD 4.47Å; P1781-K1785 PolarHBondContact O-N 2.81Å; N1782-K1785 VanDerWaalsContact O-CB 3.31Å; N1782-K1785 WeakPolarHBondContact O-CB 3.33Å; N1782-K1785 PolarHBondContact O-N 3.13Å; G1783-K1785 PolarHBondContact O-N 3.06Å; K1785-L1787 VanDerWaalsContact C-N 3.3Å; K1785-Q1792 VanDerWaalsContact C-NE2 3.35Å; K1785-Q1792 PolarHBondContact O-NE2 2.98Å; K1785-Q1792 VanDerWaalsContact O-NE2 3.16Å |
| 1786 | Q | 65.5 | Low | 67 | Low | 122.4 Ų | 122.4 | 38.8 Ų | 38.8 | 57% | 0.572 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.6 | -179.7 | -59.8 | -178.8 | -3.2 | 0 | 0 | 112.9 | Y1778 G1783 I1784 | Y1778-Q1786 HydrophobicContact CE1-CB 4.31Å; G1783-Q1786 WeakPolarHBondContact O-CB 3.39Å; G1783-Q1786 PolarHBondContact O-N 3.04Å; G1783-Q1786 VanDerWaalsContact O-N 3.1Å; I1784-Q1786 PolarHBondContact O-N 3.1Å; I1784-Q1786 VanDerWaalsContact O-N 3.13Å |
| 1787 | L | 71.1 | Confident | 68.4 | Low | 6.4 Ų | 6.4 | 36.9 Ų | 36.9 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -85.2 | 152.3 | -178.4 | -59.1 | 173 | 0 | 0 | 0 | 111.4 | W1768 Y1778 I1784 K1785 I1789 L1791 Q1792 L1795 P1898 L1901 | W1768-L1787 HydrophobicContact CH2-CD1 3.61Å; W1768-L1787 HydrophobicContact CH2-CD2 4.3Å; W1768-L1787 HydrophobicContact CZ2-CD1 3.71Å; Y1778-L1787 HydrophobicContact CD1-CD2 4.44Å; I1784-L1787 WeakPolarHBondContact O-CB 3.35Å; I1784-L1787 PolarHBondContact O-N 3.14Å; I1784-L1787 VanDerWaalsContact O-N 3.09Å; K1785-L1787 VanDerWaalsContact C-N 3.3Å; L1787-I1789 PolarHBondContact O-N 3.33Å; L1787-L1791 HydrophobicContact CB-CB 4.21Å; L1787-L1791 HydrophobicContact CB-CD1 4.41Å; L1787-L1791 HydrophobicContact CD1-CB 4.43Å; L1787-L1791 HydrophobicContact CD2-CD1 4.42Å; L1787-Q1792 HydrophobicContact CB-CG 4.28Å; L1787-Q1792 WeakPolarHBondContact O-CG 3.35Å; L1787-Q1792 PolarHBondContact O-NE2 2.98Å; L1787-L1795 HydrophobicContact CD1-CD1 3.61Å; L1787-P1898 HydrophobicContact CD2-CG 4.09Å; L1787-L1901 HydrophobicContact CD2-CD1 3.68Å |
| 1788 | P | 72.3 | Confident | 69.8 | Low | 4.2 Ų | 4.2 | 32.3 Ų | 32.3 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | trans | -50.2 | 141.1 | 167.8 | -29.7 | 36.1 | 0 | 0 | 0 | 112.9 | L1486 C1790 L1791 Q1792 K1896 L1897 | L1486-P1788 HydrophobicContact CD1-CB 4.38Å; L1486-P1788 HydrophobicContact CD1-CG 4.38Å; P1788-C1790 PolarHBondContact O-N 3.16Å; P1788-C1790 VanDerWaalsContact O-N 3.09Å; P1788-L1791 HydrophobicContact CB-CG 4.46Å; P1788-L1791 HydrophobicContact CG-CD1 4.25Å; P1788-L1791 WeakPolarHBondContact O-CA 3.33Å; P1788-L1791 WeakPolarHBondContact O-CB 3.41Å; P1788-L1791 PolarHBondContact O-N 3.16Å; P1788-Q1792 PolarHBondContact O-N 3.21Å; P1788-Q1792 VanDerWaalsContact O-N 3.12Å; P1788-K1896 HydrophobicContact CG-CB 4.19Å; P1788-L1897 HydrophobicContact CG-CD2 3.86Å; P1788-L1897 HydrophobicContact CG-CG 4.31Å | ||
| 1789 | I | 70.9 | Confident | 70.7 | Confident | 29.8 Ų | 29.8 | 34.8 Ų | 34.8 | 15% | 0.153 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55 | -34.7 | -171.7 | -67 | 167.5 | 0 | 0 | 0 | 112.7 | W1476 L1483 L1787 L1791 Q1792 L1793 | W1476-I1789 HydrophobicContact CH2-CG2 3.62Å; W1476-I1789 HydrophobicContact CZ2-CG2 4.33Å; W1476-I1789 HydrophobicContact CZ3-CG2 4.18Å; L1483-I1789 HydrophobicContact CD1-CD1 3.76Å; L1483-I1789 HydrophobicContact CD1-CG2 4.4Å; L1483-I1789 HydrophobicContact CG-CD1 4.05Å; L1787-I1789 PolarHBondContact O-N 3.33Å; I1789-L1791 VanDerWaalsContact C-N 3.31Å; I1789-L1791 PolarHBondContact O-N 3.08Å; I1789-Q1792 PolarHBondContact O-N 3.41Å; I1789-L1793 WeakPolarHBondContact O-CB 3.35Å; I1789-L1793 PolarHBondContact O-N 3.2Å |
| 1790 | C | 76.5 | Confident | 71.8 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.02 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -34.7 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | L1343 M1485 L1486 N1489 L1492 P1788 I1794 | L1343-C1790 HydrophobicContact CD2-CB 3.7Å; M1485-C1790 HydrophobicContact CG-CB 4.16Å; L1486-C1790 PolarHBondContact N-SG 3.39Å; L1486-C1790 VanDerWaalsContact N-SG 3.41Å; N1489-C1790 HydrophobicContact CB-CB 3.79Å; N1489-C1790 PolarHBondContact ND2-O 2.91Å; N1489-C1790 VanDerWaalsContact ND2-O 3.1Å; N1489-C1790 PolarHBondContact ND2-SG 3.18Å; L1492-C1790 HydrophobicContact CD1-CB 4.05Å; L1492-C1790 WeakPolarHBondContact CD1-O 3.48Å; P1788-C1790 PolarHBondContact O-N 3.16Å; P1788-C1790 VanDerWaalsContact O-N 3.09Å; C1790-I1794 WeakPolarHBondContact O-CG1 3.21Å; C1790-I1794 PolarHBondContact O-N 3.17Å; C1790-I1794 VanDerWaalsContact O-N 3.17Å |
| 1791 | L | 78.1 | Confident | 72.5 | Confident | 2.4 Ų | 2.4 | 30.7 Ų | 30.7 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -76.6 | -40.3 | 173.8 | -63.9 | -177.6 | 0 | 0 | 0 | 111.2 | L1486 N1489 M1764 L1787 P1788 I1789 L1793 I1794 L1795 L1897 L1901 F1907 | L1486-L1791 HydrophobicContact CD1-CD1 3.92Å; L1486-L1791 HydrophobicContact CD1-CD2 4.07Å; L1486-L1791 HydrophobicContact CD1-CG 3.86Å; N1489-L1791 WeakPolarHBondContact ND2-CD2 3.31Å; M1764-L1791 HydrophobicContact CE-CD2 3.74Å; M1764-L1791 HydrophobicContact SD-CD2 3.68Å; L1787-L1791 HydrophobicContact CB-CB 4.21Å; L1787-L1791 HydrophobicContact CB-CD1 4.41Å; L1787-L1791 HydrophobicContact CD1-CB 4.43Å; L1787-L1791 HydrophobicContact CD2-CD1 4.42Å; P1788-L1791 HydrophobicContact CB-CG 4.46Å; P1788-L1791 HydrophobicContact CG-CD1 4.25Å; P1788-L1791 WeakPolarHBondContact O-CA 3.33Å; P1788-L1791 WeakPolarHBondContact O-CB 3.41Å; P1788-L1791 PolarHBondContact O-N 3.16Å; I1789-L1791 VanDerWaalsContact C-N 3.31Å; I1789-L1791 PolarHBondContact O-N 3.08Å; L1791-L1793 VanDerWaalsContact C-N 3.31Å; L1791-L1793 PolarHBondContact O-N 3.07Å; L1791-I1794 PolarHBondContact O-N 3.17Å; L1791-L1795 WeakPolarHBondContact O-CB 3.26Å; L1791-L1795 VanDerWaalsContact O-CG 3.3Å; L1791-L1795 WeakPolarHBondContact O-CG 3.47Å; L1791-L1795 PolarHBondContact O-N 3.22Å; L1791-L1897 HydrophobicContact CD1-CD2 3.95Å; L1791-L1901 HydrophobicContact CD1-CD1 4.29Å; L1791-F1907 HydrophobicContact CD1-CE1 4.27Å; L1791-F1907 HydrophobicContact CD1-CZ 4.21Å; L1791-F1907 HydrophobicContact CD2-CE1 4.29Å; L1791-F1907 HydrophobicContact CD2-CZ 4.26Å |
| 1792 | Q | 75.5 | Confident | 73 | Confident | 29.2 Ų | 29.2 | 31.7 Ų | 31.7 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.8 | -47.4 | 174.3 | -71.9 | -173.6 | 15.3 | 0 | 0 | 111 | F1597 I1784 K1785 L1787 P1788 I1789 I1794 L1795 V1796 | F1597-Q1792 HydrophobicContact CE1-CB 4.33Å; F1597-Q1792 HydrophobicContact CZ-CB 3.68Å; I1784-Q1792 HydrophobicContact CG2-CB 4.3Å; I1784-Q1792 HydrophobicContact CG2-CG 4.1Å; I1784-Q1792 VanDerWaalsContact O-CG 3.26Å; I1784-Q1792 WeakPolarHBondContact O-CG 3.36Å; I1784-Q1792 PolarHBondContact O-NE2 3.2Å; I1784-Q1792 VanDerWaalsContact O-NE2 3.11Å; K1785-Q1792 VanDerWaalsContact C-NE2 3.35Å; K1785-Q1792 PolarHBondContact O-NE2 2.98Å; K1785-Q1792 VanDerWaalsContact O-NE2 3.16Å; L1787-Q1792 HydrophobicContact CB-CG 4.28Å; L1787-Q1792 WeakPolarHBondContact O-CG 3.35Å; L1787-Q1792 PolarHBondContact O-NE2 2.98Å; P1788-Q1792 PolarHBondContact O-N 3.21Å; P1788-Q1792 VanDerWaalsContact O-N 3.12Å; I1789-Q1792 PolarHBondContact O-N 3.41Å; Q1792-I1794 VanDerWaalsContact C-N 3.35Å; Q1792-I1794 PolarHBondContact O-N 3Å; Q1792-L1795 PolarHBondContact O-N 3.15Å; Q1792-V1796 HydrophobicContact CG-CG2 4.01Å; Q1792-V1796 VanDerWaalsContact O-CB 3.26Å; Q1792-V1796 WeakPolarHBondContact O-CB 3.35Å; Q1792-V1796 VanDerWaalsContact O-CG2 3.26Å; Q1792-V1796 WeakPolarHBondContact O-CG2 3.33Å; Q1792-V1796 PolarHBondContact O-N 2.97Å |
| 1793 | L | 79.4 | Confident | 73.8 | Confident | 20.2 Ų | 20.2 | 29.6 Ų | 29.6 | 11% | 0.106 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 178.4 | -177.1 | 69 | 0 | 0 | 0 | 112.3 | L1492 V1494 Y1594 F1597 I1789 L1791 N1797 | L1492-L1793 HydrophobicContact CD1-CD2 4.45Å; V1494-L1793 HydrophobicContact CG2-CD2 3.81Å; Y1594-L1793 HydrophobicContact CG-CD2 4.47Å; Y1594-L1793 HydrophobicContact CG-CG 4.26Å; F1597-L1793 HydrophobicContact CD1-CD1 4.31Å; F1597-L1793 HydrophobicContact CE1-CB 4.37Å; F1597-L1793 HydrophobicContact CE1-CD1 4.23Å; I1789-L1793 WeakPolarHBondContact O-CB 3.35Å; I1789-L1793 PolarHBondContact O-N 3.2Å; L1791-L1793 VanDerWaalsContact C-N 3.31Å; L1791-L1793 PolarHBondContact O-N 3.07Å; L1793-N1797 WeakPolarHBondContact O-CB 3.35Å; L1793-N1797 PolarHBondContact O-N 3.21Å; L1793-N1797 VanDerWaalsContact O-N 3.16Å; L1793-N1797 PolarHBondContact O-ND2 3.22Å |
| 1794 | I | 81.9 | Confident | 74.3 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 178.7 | -71 | 173.6 | 0 | 0 | 0 | 111 | N1489 L1492 Y1594 S1761 M1764 K1765 C1790 L1791 Q1792 N1797 D1798 | N1489-I1794 VanDerWaalsContact ND2-CD1 3.34Å; N1489-I1794 WeakPolarHBondContact ND2-CD1 3.42Å; N1489-I1794 WeakPolarHBondContact OD1-CD1 3.43Å; L1492-I1794 HydrophobicContact CD1-CD1 4.07Å; L1492-I1794 HydrophobicContact CD1-CG1 4.16Å; L1492-I1794 HydrophobicContact CD2-CD1 4.22Å; L1492-I1794 HydrophobicContact CD2-CG1 4.26Å; Y1594-I1794 HydrophobicContact CE1-CG1 4.24Å; S1761-I1794 WeakPolarHBondContact OG-CD1 3.37Å; M1764-I1794 HydrophobicContact CE-CD1 4.11Å; M1764-I1794 HydrophobicContact SD-CD1 4.26Å; K1765-I1794 HydrophobicContact CD-CG2 4.34Å; K1765-I1794 VanDerWaalsContact CE-CG2 3.5Å; K1765-I1794 HydrophobicContact CG-CG2 3.72Å; C1790-I1794 WeakPolarHBondContact O-CG1 3.21Å; C1790-I1794 PolarHBondContact O-N 3.17Å; C1790-I1794 VanDerWaalsContact O-N 3.17Å; L1791-I1794 PolarHBondContact O-N 3.17Å; Q1792-I1794 VanDerWaalsContact C-N 3.35Å; Q1792-I1794 PolarHBondContact O-N 3Å; I1794-N1797 PolarHBondContact O-N 3Å; I1794-D1798 PolarHBondContact O-N 3.19Å; I1794-D1798 VanDerWaalsContact O-N 3.07Å |
| 1795 | L | 81 | Confident | 74.7 | Confident | 7.8 Ų | 7.8 | 37.3 Ų | 37.3 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.6 | -40.6 | -174 | -66.2 | 170.3 | 0 | 0 | 0 | 112.3 | W1768 L1787 L1791 Q1792 N1797 D1798 I1799 | W1768-L1795 HydrophobicContact CB-CD2 4.33Å; W1768-L1795 HydrophobicContact CD2-CD1 4.02Å; W1768-L1795 HydrophobicContact CD2-CD2 3.59Å; W1768-L1795 HydrophobicContact CD2-CG 4.47Å; W1768-L1795 HydrophobicContact CE3-CD1 4.12Å; W1768-L1795 HydrophobicContact CE3-CD2 3.86Å; W1768-L1795 HydrophobicContact CG-CD2 3.79Å; W1768-L1795 HydrophobicContact CH2-CD1 3.68Å; W1768-L1795 HydrophobicContact CZ2-CD1 3.53Å; W1768-L1795 VanDerWaalsContact CZ2-CD1 3.45Å; W1768-L1795 HydrophobicContact CZ3-CD1 3.96Å; W1768-L1795 HydrophobicContact CZ3-CD2 4.43Å; L1787-L1795 HydrophobicContact CD1-CD1 3.61Å; L1791-L1795 WeakPolarHBondContact O-CB 3.26Å; L1791-L1795 VanDerWaalsContact O-CG 3.3Å; L1791-L1795 WeakPolarHBondContact O-CG 3.47Å; L1791-L1795 PolarHBondContact O-N 3.22Å; Q1792-L1795 PolarHBondContact O-N 3.15Å; L1795-N1797 VanDerWaalsContact C-N 3.35Å; L1795-N1797 PolarHBondContact O-N 3.11Å; L1795-D1798 WeakPolarHBondContact O-CB 3.33Å; L1795-D1798 PolarHBondContact O-N 3.01Å; L1795-D1798 VanDerWaalsContact O-N 3.13Å; L1795-I1799 VanDerWaalsContact O-CG1 3.29Å; L1795-I1799 WeakPolarHBondContact O-CG1 3.41Å; L1795-I1799 PolarHBondContact O-N 3.06Å |
| 1796 | V | 77.7 | Confident | 75.4 | Confident | 21.2 Ų | 21.2 | 36.1 Ų | 36.1 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.4 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | F1597 F1636 I1784 Q1792 D1798 I1799 L1800 | F1597-V1796 HydrophobicContact CB-CB 4.49Å; F1597-V1796 HydrophobicContact CB-CG1 4.13Å; F1597-V1796 HydrophobicContact CD1-CB 3.97Å; F1597-V1796 HydrophobicContact CD1-CG1 4.02Å; F1597-V1796 HydrophobicContact CD2-CB 4.05Å; F1597-V1796 HydrophobicContact CD2-CG1 4.07Å; F1597-V1796 HydrophobicContact CD2-CG2 4.04Å; F1597-V1796 HydrophobicContact CE1-CB 4.33Å; F1597-V1796 HydrophobicContact CE2-CB 4.37Å; F1597-V1796 HydrophobicContact CE2-CG1 4.41Å; F1597-V1796 HydrophobicContact CE2-CG2 3.99Å; F1597-V1796 HydrophobicContact CG-CB 3.86Å; F1597-V1796 HydrophobicContact CG-CG1 4.15Å; F1597-V1796 VanDerWaalsContact CG-CG1 3.43Å; F1597-V1796 HydrophobicContact CG-CG2 4.36Å; F1597-V1796 HydrophobicContact CZ-CG2 4.27Å; F1636-V1796 HydrophobicContact CB-CG1 4.01Å; F1636-V1796 HydrophobicContact CD1-CG1 4.17Å; F1636-V1796 HydrophobicContact CD1-CG2 4.16Å; F1636-V1796 HydrophobicContact CD2-CG1 3.99Å; F1636-V1796 HydrophobicContact CD2-CG2 4.08Å; F1636-V1796 HydrophobicContact CE1-CG2 3.88Å; F1636-V1796 HydrophobicContact CE2-CG2 3.79Å; F1636-V1796 HydrophobicContact CG-CG1 3.79Å; F1636-V1796 HydrophobicContact CG-CG2 4.26Å; F1636-V1796 HydrophobicContact CZ-CG2 3.7Å; I1784-V1796 HydrophobicContact CG2-CG2 4.27Å; Q1792-V1796 HydrophobicContact CG-CG2 4.01Å; Q1792-V1796 VanDerWaalsContact O-CB 3.26Å; Q1792-V1796 WeakPolarHBondContact O-CB 3.35Å; Q1792-V1796 VanDerWaalsContact O-CG2 3.26Å; Q1792-V1796 WeakPolarHBondContact O-CG2 3.33Å; Q1792-V1796 PolarHBondContact O-N 2.97Å; V1796-D1798 VanDerWaalsContact C-N 3.3Å; V1796-D1798 PolarHBondContact O-N 3.28Å; V1796-I1799 PolarHBondContact O-N 3.23Å; V1796-L1800 HydrophobicContact CG1-CD1 3.49Å; V1796-L1800 VanDerWaalsContact CG1-CD1 3.46Å; V1796-L1800 HydrophobicContact CG1-CG 4.07Å; V1796-L1800 VanDerWaalsContact O-CB 3.31Å; V1796-L1800 WeakPolarHBondContact O-CB 3.37Å; V1796-L1800 WeakPolarHBondContact O-CD1 3.38Å; V1796-L1800 VanDerWaalsContact O-CG 3.23Å; V1796-L1800 WeakPolarHBondContact O-CG 3.31Å; V1796-L1800 PolarHBondContact O-N 3.35Å |
| 1797 | N | 82.5 | Confident | 76 | Confident | 4.4 Ų | 4.4 | 31.6 Ų | 31.6 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -31.8 | 172.9 | -87.3 | -100.8 | 0 | 0 | 0 | 112.8 | Y1594 L1595 F1647 Q1651 L1793 I1794 L1795 S1801 | Y1594-N1797 HydrophobicContact CD1-CB 3.86Å; Y1594-N1797 HydrophobicContact CE1-CB 4.37Å; L1595-N1797 PolarHBondContact N-OD1 3.2Å; L1595-N1797 VanDerWaalsContact N-OD1 3.12Å; L1595-N1797 PolarHBondContact O-ND2 3.29Å; L1595-N1797 PolarHBondContact O-OD1 2.86Å; F1647-N1797 WeakPolarHBondContact CD1-OD1 3.22Å; Q1651-N1797 PolarHBondContact NE2-O 3.25Å; L1793-N1797 WeakPolarHBondContact O-CB 3.35Å; L1793-N1797 PolarHBondContact O-N 3.21Å; L1793-N1797 VanDerWaalsContact O-N 3.16Å; L1793-N1797 PolarHBondContact O-ND2 3.22Å; I1794-N1797 PolarHBondContact O-N 3Å; L1795-N1797 VanDerWaalsContact C-N 3.35Å; L1795-N1797 PolarHBondContact O-N 3.11Å; N1797-S1801 VanDerWaalsContact O-CB 3.31Å; N1797-S1801 WeakPolarHBondContact O-CB 3.31Å; N1797-S1801 PolarHBondContact O-N 3.06Å; N1797-S1801 PolarHBondContact O-OG 3.23Å |
| 1798 | D | 82.2 | Confident | 76.3 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.2 | -48.6 | 174.1 | -166.9 | 62.4 | 0 | 0 | 0 | 111.7 | K1765 K1770 I1794 L1795 V1796 L1800 S1801 S1802 Q1808 | K1765-D1798 HydrophobicContact CG-CB 4.44Å; K1770-D1798 IonicContact NZ-OD2 3.2Å; K1770-D1798 PolarHBondContact NZ-OD2 3.07Å; K1770-D1798 VanDerWaalsContact NZ-OD2 3.09Å; I1794-D1798 PolarHBondContact O-N 3.19Å; I1794-D1798 VanDerWaalsContact O-N 3.07Å; L1795-D1798 WeakPolarHBondContact O-CB 3.33Å; L1795-D1798 PolarHBondContact O-N 3.01Å; L1795-D1798 VanDerWaalsContact O-N 3.13Å; V1796-D1798 VanDerWaalsContact C-N 3.3Å; V1796-D1798 PolarHBondContact O-N 3.28Å; D1798-L1800 PolarHBondContact O-N 3.12Å; D1798-S1801 PolarHBondContact O-N 3.08Å; D1798-S1801 PolarHBondContact O-OG 3.32Å; D1798-S1802 PolarHBondContact O-N 3.1Å; D1798-Q1808 VanDerWaalsContact CG-NE2 3.32Å; D1798-Q1808 PolarHBondContact OD1-NE2 3.19Å; D1798-Q1808 PolarHBondContact OD2-NE2 2.98Å; D1798-Q1808 VanDerWaalsContact OD2-NE2 3.14Å |
| 1799 | I | 78.4 | Confident | 76.6 | Confident | 91.6 Ų | 91.6 | 33.5 Ų | 33.5 | 47% | 0.47 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.8 | -46.7 | -178.8 | -67.5 | 163.9 | 0 | 0 | 0 | 111.5 | I1784 L1795 V1796 S1801 S1802 | I1784-I1799 HydrophobicContact CD1-CD1 3.49Å; I1784-I1799 VanDerWaalsContact CD1-CD1 3.48Å; L1795-I1799 VanDerWaalsContact O-CG1 3.29Å; L1795-I1799 WeakPolarHBondContact O-CG1 3.41Å; L1795-I1799 PolarHBondContact O-N 3.06Å; V1796-I1799 PolarHBondContact O-N 3.23Å; I1799-S1801 VanDerWaalsContact C-N 3.34Å; I1799-S1801 PolarHBondContact O-N 2.98Å; I1799-S1802 PolarHBondContact O-N 3.2Å |
| 1800 | L | 78.1 | Confident | 77.1 | Confident | 36.4 Ų | 36.4 | 33.5 Ų | 33.5 | 19% | 0.191 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -35.9 | -177.2 | -68.9 | 172.8 | 0 | 0 | 0 | 112.6 | F1597 F1636 K1644 F1647 V1796 D1798 S1802 | F1597-L1800 HydrophobicContact CB-CD1 4.09Å; F1597-L1800 HydrophobicContact CD2-CD1 3.35Å; F1597-L1800 HydrophobicContact CE2-CD1 3.5Å; F1597-L1800 VanDerWaalsContact CE2-CD1 3.46Å; F1597-L1800 HydrophobicContact CE2-CD2 4.14Å; F1597-L1800 HydrophobicContact CE2-CG 4.44Å; F1597-L1800 HydrophobicContact CG-CD1 4.46Å; F1636-L1800 HydrophobicContact CB-CD2 4.35Å; K1644-L1800 VanDerWaalsContact CD-O 3.29Å; K1644-L1800 WeakPolarHBondContact CD-O 3.4Å; K1644-L1800 VanDerWaalsContact CE-O 3.3Å; K1644-L1800 WeakPolarHBondContact CE-O 3.36Å; K1644-L1800 WeakPolarHBondContact CG-O 3.36Å; K1644-L1800 PolarHBondContact NZ-O 2.93Å; F1647-L1800 HydrophobicContact CB-CB 4.49Å; F1647-L1800 HydrophobicContact CD1-CB 4.18Å; F1647-L1800 HydrophobicContact CD1-CD1 4.38Å; F1647-L1800 HydrophobicContact CD2-CB 4.04Å; F1647-L1800 HydrophobicContact CD2-CD1 4.37Å; F1647-L1800 HydrophobicContact CE1-CB 4.36Å; F1647-L1800 HydrophobicContact CE1-CD1 3.81Å; F1647-L1800 HydrophobicContact CE2-CB 4.3Å; F1647-L1800 HydrophobicContact CE2-CD1 3.85Å; F1647-L1800 HydrophobicContact CG-CB 3.99Å; F1647-L1800 HydrophobicContact CZ-CB 4.47Å; F1647-L1800 HydrophobicContact CZ-CD1 3.53Å; F1647-L1800 VanDerWaalsContact CZ-CD1 3.47Å; V1796-L1800 HydrophobicContact CG1-CD1 3.49Å; V1796-L1800 VanDerWaalsContact CG1-CD1 3.46Å; V1796-L1800 HydrophobicContact CG1-CG 4.07Å; V1796-L1800 VanDerWaalsContact O-CB 3.31Å; V1796-L1800 WeakPolarHBondContact O-CB 3.37Å; V1796-L1800 WeakPolarHBondContact O-CD1 3.38Å; V1796-L1800 VanDerWaalsContact O-CG 3.23Å; V1796-L1800 WeakPolarHBondContact O-CG 3.31Å; V1796-L1800 PolarHBondContact O-N 3.35Å; D1798-L1800 PolarHBondContact O-N 3.12Å; L1800-S1802 VanDerWaalsContact C-N 3.3Å; L1800-S1802 PolarHBondContact O-N 3.24Å |
| 1801 | S | 70.9 | Confident | 77.4 | Confident | 8.6 Ų | 8.6 | 34.6 Ų | 34.6 | 6% | 0.06 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72 | -22.9 | 178.3 | 77 | 0 | 0 | 0 | 0 | 111.3 | R1648 Q1651 N1797 D1798 I1799 L1803 | R1648-S1801 WeakPolarHBondContact CG-O 3.28Å; R1648-S1801 PolarHBondContact NE-O 3.35Å; R1648-S1801 PolarHBondContact NH2-O 3.16Å; Q1651-S1801 VanDerWaalsContact CD-OG 3.3Å; Q1651-S1801 PolarHBondContact NE2-OG 3.14Å; Q1651-S1801 VanDerWaalsContact NE2-OG 3.08Å; Q1651-S1801 PolarHBondContact OE1-OG 2.86Å; N1797-S1801 VanDerWaalsContact O-CB 3.31Å; N1797-S1801 WeakPolarHBondContact O-CB 3.31Å; N1797-S1801 PolarHBondContact O-N 3.06Å; N1797-S1801 PolarHBondContact O-OG 3.23Å; D1798-S1801 PolarHBondContact O-N 3.08Å; D1798-S1801 PolarHBondContact O-OG 3.32Å; I1799-S1801 VanDerWaalsContact C-N 3.34Å; I1799-S1801 PolarHBondContact O-N 2.98Å; S1801-L1803 VanDerWaalsContact C-N 3.33Å; S1801-L1803 VanDerWaalsContact CB-CD1 3.47Å; S1801-L1803 WeakPolarHBondContact O-CD1 3.25Å; S1801-L1803 PolarHBondContact O-N 3.28Å; S1801-L1803 VanDerWaalsContact OG-CD1 3.28Å; S1801-L1803 WeakPolarHBondContact OG-CD1 3.38Å; S1801-L1803 PolarHBondContact OG-N 3.23Å |
| 1802 | S | 67.4 | Low | 77.7 | Confident | 72.6 Ų | 72.6 | 34.6 Ų | 34.6 | 51% | 0.508 | 20% | 0.197 | S | C | . | . | trans | 33.5 | 46 | -177.9 | 88.2 | 0 | 0 | 0 | 0 | 114.1 | K1644 R1648 D1798 I1799 L1800 | K1644-S1802 WeakPolarHBondContact CE-OG 3.28Å; K1644-S1802 VanDerWaalsContact NZ-CB 3.3Å; K1644-S1802 PolarHBondContact NZ-OG 3.16Å; R1648-S1802 PolarHBondContact NH2-O 3.13Å; R1648-S1802 PolarHBondContact NH2-OG 3.17Å; R1648-S1802 VanDerWaalsContact NH2-OG 3.11Å; D1798-S1802 PolarHBondContact O-N 3.1Å; I1799-S1802 PolarHBondContact O-N 3.2Å; L1800-S1802 VanDerWaalsContact C-N 3.3Å; L1800-S1802 PolarHBondContact O-N 3.24Å | ||
| 1803 | L | 73 | Confident | 78.1 | Confident | 44.6 Ų | 44.6 | 37.3 Ų | 37.3 | 23% | 0.234 | 21% | 0.21 | C | C | . | . | trans | -76.3 | 155.9 | 173.9 | -73 | 96.8 | 0 | 0 | 0 | 110.6 | R1648 Y1652 S1801 F1807 | R1648-L1803 HydrophobicContact CB-CD1 3.97Å; R1648-L1803 HydrophobicContact CG-CD1 3.66Å; R1648-L1803 HydrophobicContact CG-CD2 4.23Å; R1648-L1803 HydrophobicContact CG-CG 4.17Å; Y1652-L1803 HydrophobicContact CE2-CD2 4.35Å; S1801-L1803 VanDerWaalsContact C-N 3.33Å; S1801-L1803 VanDerWaalsContact CB-CD1 3.47Å; S1801-L1803 WeakPolarHBondContact O-CD1 3.25Å; S1801-L1803 PolarHBondContact O-N 3.28Å; S1801-L1803 VanDerWaalsContact OG-CD1 3.28Å; S1801-L1803 WeakPolarHBondContact OG-CD1 3.38Å; S1801-L1803 PolarHBondContact OG-N 3.23Å; L1803-F1807 HydrophobicContact CB-CB 4.02Å; L1803-F1807 HydrophobicContact CB-CD1 4.19Å; L1803-F1807 HydrophobicContact CB-CG 4.22Å; L1803-F1807 HydrophobicContact CD1-CD1 3.61Å; L1803-F1807 HydrophobicContact CD1-CE1 3.61Å; L1803-F1807 HydrophobicContact CD1-CG 4.14Å; L1803-F1807 HydrophobicContact CD1-CZ 4.15Å; L1803-F1807 HydrophobicContact CD2-CB 3.92Å; L1803-F1807 HydrophobicContact CD2-CD1 3.4Å; L1803-F1807 VanDerWaalsContact CD2-CD1 3.46Å; L1803-F1807 HydrophobicContact CD2-CD2 3.6Å; L1803-F1807 HydrophobicContact CD2-CE1 3.72Å; L1803-F1807 HydrophobicContact CD2-CE2 3.91Å; L1803-F1807 HydrophobicContact CD2-CG 3.32Å; L1803-F1807 HydrophobicContact CD2-CZ 3.96Å; L1803-F1807 HydrophobicContact CG-CD1 4.38Å; L1803-F1807 HydrophobicContact CG-CG 4.36Å | ||
| 1804 | S | 73.4 | Confident | 78.2 | Confident | 62.2 Ų | 62.2 | 37.2 Ų | 37.2 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | trans | -68.5 | 155.2 | 178.9 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | S1806 F1807 Q1808 | S1804-S1806 WeakPolarHBondContact CB-OG 3.37Å; S1804-S1806 PolarHBondContact O-N 3.21Å; S1804-S1806 VanDerWaalsContact O-N 3.08Å; S1804-S1806 PolarHBondContact OG-OG 3.06Å; S1804-F1807 WeakPolarHBondContact O-CB 3.29Å; S1804-F1807 PolarHBondContact O-N 3.13Å; S1804-F1807 PolarHBondContact OG-N 3.12Å; S1804-Q1808 PolarHBondContact O-N 3.34Å | ||
| 1805 | K | 72.3 | Confident | 78.4 | Confident | 110.8 Ų | 110.8 | 37.7 Ų | 37.7 | 48% | 0.482 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -51.7 | -31.8 | 172.4 | -82.8 | -176.9 | 178.8 | -173.8 | 0 | 112.2 | F1807 Q1808 T1809 D1970 | K1805-F1807 VanDerWaalsContact C-N 3.3Å; K1805-F1807 PolarHBondContact O-N 2.95Å; K1805-Q1808 WeakPolarHBondContact O-CB 3.43Å; K1805-Q1808 PolarHBondContact O-N 3.14Å; K1805-T1809 WeakPolarHBondContact O-CB 3.44Å; K1805-T1809 VanDerWaalsContact O-CG2 3.28Å; K1805-T1809 WeakPolarHBondContact O-CG2 3.27Å; K1805-T1809 PolarHBondContact O-N 3.25Å; K1805-T1809 VanDerWaalsContact O-N 3.09Å; K1805-T1809 PolarHBondContact O-OG1 3.06Å; K1805-D1970 WeakPolarHBondContact CE-OD2 3.11Å; K1805-D1970 IonicContact NZ-OD2 2.67Å; K1805-D1970 PolarHBondContact NZ-OD2 2.81Å |
| 1806 | S | 75.5 | Confident | 78.6 | Confident | 66.2 Ų | 66.2 | 37.6 Ų | 37.6 | 46% | 0.463 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.1 | -29.7 | 176.6 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | S1804 T1809 A1810 | S1804-S1806 WeakPolarHBondContact CB-OG 3.37Å; S1804-S1806 PolarHBondContact O-N 3.21Å; S1804-S1806 VanDerWaalsContact O-N 3.08Å; S1804-S1806 PolarHBondContact OG-OG 3.06Å; S1806-T1809 WeakPolarHBondContact CA-OG1 3.35Å; S1806-T1809 WeakPolarHBondContact O-CB 3.39Å; S1806-T1809 PolarHBondContact O-N 3.37Å; S1806-T1809 PolarHBondContact O-OG1 3.05Å; S1806-T1809 VanDerWaalsContact O-OG1 3.05Å; S1806-A1810 WeakPolarHBondContact O-CB 3.29Å; S1806-A1810 PolarHBondContact O-N 3.24Å; S1806-A1810 VanDerWaalsContact O-N 3.14Å |
| 1807 | F | 78.7 | Confident | 78.9 | Confident | 28.8 Ų | 28.8 | 42.2 Ų | 42.2 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.2 | -41.3 | 174 | -178.4 | -92.6 | 0 | 0 | 0 | 111.4 | Q1651 Y1652 N1655 L1803 S1804 K1805 T1809 A1810 Q1811 | Q1651-F1807 HydrophobicContact CB-CE1 3.98Å; Q1651-F1807 HydrophobicContact CB-CZ 4.27Å; Y1652-F1807 HydrophobicContact CD1-CD2 4.49Å; Y1652-F1807 AromaticContact CD1-CE2 3.66Å; Y1652-F1807 HydrophobicContact CD1-CE2 3.66Å; Y1652-F1807 HydrophobicContact CD1-CZ 4.18Å; Y1652-F1807 HydrophobicContact CD2-CE2 4.32Å; Y1652-F1807 AromaticContact CE1-CD2 3.93Å; Y1652-F1807 HydrophobicContact CE1-CD2 4.03Å; Y1652-F1807 AromaticContact CE1-CE2 3.48Å; Y1652-F1807 HydrophobicContact CE1-CE2 3.48Å; Y1652-F1807 HydrophobicContact CE1-CZ 4.35Å; Y1652-F1807 HydrophobicContact CG-CE2 4.49Å; N1655-F1807 HydrophobicContact CB-CZ 4.27Å; L1803-F1807 HydrophobicContact CB-CB 4.02Å; L1803-F1807 HydrophobicContact CB-CD1 4.19Å; L1803-F1807 HydrophobicContact CB-CG 4.22Å; L1803-F1807 HydrophobicContact CD1-CD1 3.61Å; L1803-F1807 HydrophobicContact CD1-CE1 3.61Å; L1803-F1807 HydrophobicContact CD1-CG 4.14Å; L1803-F1807 HydrophobicContact CD1-CZ 4.15Å; L1803-F1807 HydrophobicContact CD2-CB 3.92Å; L1803-F1807 HydrophobicContact CD2-CD1 3.4Å; L1803-F1807 VanDerWaalsContact CD2-CD1 3.46Å; L1803-F1807 HydrophobicContact CD2-CD2 3.6Å; L1803-F1807 HydrophobicContact CD2-CE1 3.72Å; L1803-F1807 HydrophobicContact CD2-CE2 3.91Å; L1803-F1807 HydrophobicContact CD2-CG 3.32Å; L1803-F1807 HydrophobicContact CD2-CZ 3.96Å; L1803-F1807 HydrophobicContact CG-CD1 4.38Å; L1803-F1807 HydrophobicContact CG-CG 4.36Å; S1804-F1807 WeakPolarHBondContact O-CB 3.29Å; S1804-F1807 PolarHBondContact O-N 3.13Å; S1804-F1807 PolarHBondContact OG-N 3.12Å; K1805-F1807 VanDerWaalsContact C-N 3.3Å; K1805-F1807 PolarHBondContact O-N 2.95Å; F1807-T1809 VanDerWaalsContact C-N 3.31Å; F1807-T1809 PolarHBondContact O-N 3.1Å; F1807-A1810 WeakPolarHBondContact O-CB 3.38Å; F1807-A1810 PolarHBondContact O-N 3.19Å; F1807-A1810 VanDerWaalsContact O-N 3.13Å; F1807-Q1811 HydrophobicContact CE1-CB 4.48Å; F1807-Q1811 WeakPolarHBondContact O-CB 3.46Å; F1807-Q1811 PolarHBondContact O-N 3.16Å |
| 1808 | Q | 77.6 | Confident | 79 | Confident | 15.4 Ų | 15.4 | 42.3 Ų | 42.3 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 176.3 | -57.6 | -174 | -43 | 0 | 0 | 111.2 | K1765 V1766 K1770 D1798 S1804 K1805 Q1811 L1812 | K1765-Q1808 PolarHBondContact O-NE2 3.18Å; V1766-Q1808 HydrophobicContact CG2-CB 3.93Å; K1770-Q1808 VanDerWaalsContact NZ-NE2 3.14Å; D1798-Q1808 VanDerWaalsContact CG-NE2 3.32Å; D1798-Q1808 PolarHBondContact OD1-NE2 3.19Å; D1798-Q1808 PolarHBondContact OD2-NE2 2.98Å; D1798-Q1808 VanDerWaalsContact OD2-NE2 3.14Å; S1804-Q1808 PolarHBondContact O-N 3.34Å; K1805-Q1808 WeakPolarHBondContact O-CB 3.43Å; K1805-Q1808 PolarHBondContact O-N 3.14Å; Q1808-Q1811 PolarHBondContact O-N 3.31Å; Q1808-L1812 WeakPolarHBondContact O-CB 3.42Å; Q1808-L1812 PolarHBondContact O-N 3.08Å; Q1808-L1812 VanDerWaalsContact O-N 3.09Å |
| 1809 | T | 78.6 | Confident | 79.1 | Confident | 34.2 Ų | 34.2 | 41.8 Ų | 41.8 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 173.9 | -13.4 | 0 | 0 | 0 | 0 | 112.1 | K1805 S1806 F1807 L1812 Q1813 R1968 L1971 I1974 | K1805-T1809 WeakPolarHBondContact O-CB 3.44Å; K1805-T1809 VanDerWaalsContact O-CG2 3.28Å; K1805-T1809 WeakPolarHBondContact O-CG2 3.27Å; K1805-T1809 PolarHBondContact O-N 3.25Å; K1805-T1809 VanDerWaalsContact O-N 3.09Å; K1805-T1809 PolarHBondContact O-OG1 3.06Å; S1806-T1809 WeakPolarHBondContact CA-OG1 3.35Å; S1806-T1809 WeakPolarHBondContact O-CB 3.39Å; S1806-T1809 PolarHBondContact O-N 3.37Å; S1806-T1809 PolarHBondContact O-OG1 3.05Å; S1806-T1809 VanDerWaalsContact O-OG1 3.05Å; F1807-T1809 VanDerWaalsContact C-N 3.31Å; F1807-T1809 PolarHBondContact O-N 3.1Å; T1809-L1812 PolarHBondContact O-N 3.18Å; T1809-Q1813 WeakPolarHBondContact O-CB 3.45Å; T1809-Q1813 PolarHBondContact O-N 3.02Å; T1809-R1968 PolarHBondContact OG1-NH2 2.79Å; T1809-R1968 VanDerWaalsContact OG1-NH2 3.14Å; T1809-L1971 HydrophobicContact CG2-CD2 3.51Å; T1809-L1971 VanDerWaalsContact CG2-CD2 3.48Å; T1809-L1971 WeakPolarHBondContact OG1-CD2 3.44Å; T1809-I1974 HydrophobicContact CG2-CD1 3.59Å |
| 1810 | A | 81.1 | Confident | 79.3 | Confident | 30.8 Ų | 30.8 | 39.1 Ų | 39.1 | 26% | 0.255 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1806 F1807 L1812 Q1813 T1814 | S1806-A1810 WeakPolarHBondContact O-CB 3.29Å; S1806-A1810 PolarHBondContact O-N 3.24Å; S1806-A1810 VanDerWaalsContact O-N 3.14Å; F1807-A1810 WeakPolarHBondContact O-CB 3.38Å; F1807-A1810 PolarHBondContact O-N 3.19Å; F1807-A1810 VanDerWaalsContact O-N 3.13Å; A1810-L1812 VanDerWaalsContact C-N 3.32Å; A1810-L1812 PolarHBondContact O-N 3.22Å; A1810-Q1813 WeakPolarHBondContact O-CB 3.28Å; A1810-Q1813 PolarHBondContact O-N 3.18Å; A1810-Q1813 VanDerWaalsContact O-N 3.1Å; A1810-T1814 WeakPolarHBondContact O-CB 3.47Å; A1810-T1814 PolarHBondContact O-N 3.15Å; A1810-T1814 PolarHBondContact O-OG1 3.32Å; A1810-T1814 VanDerWaalsContact O-OG1 3.1Å |
| 1811 | Q | 82.2 | Confident | 79.4 | Confident | 25.2 Ų | 25.2 | 38 Ų | 38 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.6 | -171.5 | 177 | 30.1 | 0 | 0 | 111.5 | F1807 Q1808 Q1813 T1814 L1815 | F1807-Q1811 HydrophobicContact CE1-CB 4.48Å; F1807-Q1811 WeakPolarHBondContact O-CB 3.46Å; F1807-Q1811 PolarHBondContact O-N 3.16Å; Q1808-Q1811 PolarHBondContact O-N 3.31Å; Q1811-Q1813 VanDerWaalsContact C-N 3.35Å; Q1811-Q1813 PolarHBondContact O-N 3.48Å; Q1811-T1814 PolarHBondContact O-N 2.92Å; Q1811-L1815 HydrophobicContact CG-CD1 4.25Å; Q1811-L1815 WeakPolarHBondContact O-CB 3.31Å; Q1811-L1815 WeakPolarHBondContact O-CG 3.35Å; Q1811-L1815 PolarHBondContact O-N 3.19Å |
| 1812 | L | 83.9 | Confident | 79.8 | Confident | 1.8 Ų | 1.8 | 38.3 Ų | 38.3 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 174 | -177.5 | 68.7 | 0 | 0 | 0 | 111.5 | L1759 I1763 V1766 Q1808 T1809 A1810 T1814 L1815 L1816 L1971 I1974 W1975 | L1759-L1812 HydrophobicContact CD1-CD1 3.67Å; I1763-L1812 HydrophobicContact CG1-CD1 4.19Å; V1766-L1812 HydrophobicContact CG1-CD2 4.37Å; Q1808-L1812 WeakPolarHBondContact O-CB 3.42Å; Q1808-L1812 PolarHBondContact O-N 3.08Å; Q1808-L1812 VanDerWaalsContact O-N 3.09Å; T1809-L1812 PolarHBondContact O-N 3.18Å; A1810-L1812 VanDerWaalsContact C-N 3.32Å; A1810-L1812 PolarHBondContact O-N 3.22Å; L1812-T1814 VanDerWaalsContact C-N 3.32Å; L1812-T1814 PolarHBondContact O-N 2.97Å; L1812-L1815 PolarHBondContact O-N 3.29Å; L1812-L1816 HydrophobicContact CD1-CD1 4.18Å; L1812-L1816 HydrophobicContact CD1-CG 4.28Å; L1812-L1816 HydrophobicContact CD2-CD1 4.14Å; L1812-L1816 HydrophobicContact CG-CD1 4.08Å; L1812-L1816 HydrophobicContact CG-CG 4.47Å; L1812-L1816 WeakPolarHBondContact O-CB 3.4Å; L1812-L1816 WeakPolarHBondContact O-CG 3.39Å; L1812-L1816 PolarHBondContact O-N 3.15Å; L1812-L1971 HydrophobicContact CD2-CB 4.44Å; L1812-L1971 HydrophobicContact CD2-CD1 4.09Å; L1812-L1971 HydrophobicContact CD2-CD2 4.32Å; L1812-I1974 HydrophobicContact CD2-CB 4.4Å; L1812-I1974 HydrophobicContact CD2-CD1 3.97Å; L1812-I1974 HydrophobicContact CD2-CG2 4.21Å; L1812-W1975 HydrophobicContact CD1-CZ2 4.29Å |
| 1813 | Q | 84.2 | Confident | 80.2 | Confident | 85.6 Ų | 85.6 | 34.8 Ų | 34.8 | 40% | 0.4 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.5 | -167.1 | -174.5 | 17.9 | 0 | 0 | 112.2 | T1809 A1810 Q1811 L1816 K1817 I1974 | T1809-Q1813 WeakPolarHBondContact O-CB 3.45Å; T1809-Q1813 PolarHBondContact O-N 3.02Å; A1810-Q1813 WeakPolarHBondContact O-CB 3.28Å; A1810-Q1813 PolarHBondContact O-N 3.18Å; A1810-Q1813 VanDerWaalsContact O-N 3.1Å; Q1811-Q1813 VanDerWaalsContact C-N 3.35Å; Q1811-Q1813 PolarHBondContact O-N 3.48Å; Q1813-L1816 PolarHBondContact O-N 3.28Å; Q1813-K1817 HydrophobicContact CG-CD 4.49Å; Q1813-K1817 WeakPolarHBondContact O-CB 3.39Å; Q1813-K1817 VanDerWaalsContact O-CG 3.28Å; Q1813-K1817 WeakPolarHBondContact O-CG 3.44Å; Q1813-K1817 PolarHBondContact O-N 3.11Å; Q1813-I1974 HydrophobicContact CB-CG2 4.39Å; Q1813-I1974 HydrophobicContact CG-CG2 4.16Å |
| 1814 | T | 82.8 | Confident | 80.3 | Confident | 18.6 Ų | 18.6 | 35.9 Ų | 35.9 | 11% | 0.114 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 174.3 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | N1655 A1658 E1659 A1810 Q1811 L1812 L1816 K1817 L1818 | N1655-T1814 VanDerWaalsContact OD1-CB 3.29Å; N1655-T1814 WeakPolarHBondContact OD1-CB 3.28Å; N1655-T1814 PolarHBondContact OD1-OG1 3.16Å; A1658-T1814 HydrophobicContact CB-CG2 3.75Å; E1659-T1814 HydrophobicContact CG-CG2 3.68Å; A1810-T1814 WeakPolarHBondContact O-CB 3.47Å; A1810-T1814 PolarHBondContact O-N 3.15Å; A1810-T1814 PolarHBondContact O-OG1 3.32Å; A1810-T1814 VanDerWaalsContact O-OG1 3.1Å; Q1811-T1814 PolarHBondContact O-N 2.92Å; L1812-T1814 VanDerWaalsContact C-N 3.32Å; L1812-T1814 PolarHBondContact O-N 2.97Å; T1814-L1816 PolarHBondContact O-N 3.27Å; T1814-K1817 PolarHBondContact O-N 3.11Å; T1814-L1818 WeakPolarHBondContact O-CB 3.37Å; T1814-L1818 PolarHBondContact O-N 3.23Å |
| 1815 | L | 84.6 | Confident | 80.2 | Confident | 12.2 Ų | 12.2 | 33.4 Ų | 33.4 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | 178.6 | -84.3 | 165.8 | 0 | 0 | 0 | 112.4 | M1591 A1658 C1758 L1759 C1762 Q1811 L1812 K1817 L1818 F1819 | M1591-L1815 HydrophobicContact CE-CD2 3.45Å; M1591-L1815 VanDerWaalsContact CE-CD2 3.5Å; A1658-L1815 HydrophobicContact CB-CD2 4.3Å; C1758-L1815 HydrophobicContact CB-CD2 4.29Å; L1759-L1815 HydrophobicContact CD1-CB 4.05Å; C1762-L1815 HydrophobicContact CB-CD1 3.58Å; Q1811-L1815 HydrophobicContact CG-CD1 4.25Å; Q1811-L1815 WeakPolarHBondContact O-CB 3.31Å; Q1811-L1815 WeakPolarHBondContact O-CG 3.35Å; Q1811-L1815 PolarHBondContact O-N 3.19Å; L1812-L1815 PolarHBondContact O-N 3.29Å; L1815-K1817 VanDerWaalsContact C-N 3.35Å; L1815-L1818 PolarHBondContact O-N 3.21Å; L1815-F1819 VanDerWaalsContact O-CB 3.31Å; L1815-F1819 WeakPolarHBondContact O-CB 3.4Å; L1815-F1819 PolarHBondContact O-N 3.35Å |
| 1816 | L | 85.3 | Confident | 79.9 | Confident | 6.2 Ų | 6.2 | 31.3 Ų | 31.3 | 3% | 0.032 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | 174.4 | -72.9 | 171.4 | 0 | 0 | 0 | 112.5 | L1759 L1812 Q1813 T1814 F1819 N1820 I1974 W1975 F1978 | L1759-L1816 HydrophobicContact CD1-CD2 3.96Å; L1759-L1816 HydrophobicContact CD1-CG 4.25Å; L1759-L1816 HydrophobicContact CD2-CD2 4.19Å; L1812-L1816 HydrophobicContact CD1-CD1 4.18Å; L1812-L1816 HydrophobicContact CD1-CG 4.28Å; L1812-L1816 HydrophobicContact CD2-CD1 4.14Å; L1812-L1816 HydrophobicContact CG-CD1 4.08Å; L1812-L1816 HydrophobicContact CG-CG 4.47Å; L1812-L1816 WeakPolarHBondContact O-CB 3.4Å; L1812-L1816 WeakPolarHBondContact O-CG 3.39Å; L1812-L1816 PolarHBondContact O-N 3.15Å; Q1813-L1816 PolarHBondContact O-N 3.28Å; T1814-L1816 PolarHBondContact O-N 3.27Å; L1816-F1819 WeakPolarHBondContact O-CB 3.35Å; L1816-F1819 PolarHBondContact O-N 3.37Å; L1816-N1820 VanDerWaalsContact O-CB 3.32Å; L1816-N1820 WeakPolarHBondContact O-CB 3.37Å; L1816-N1820 PolarHBondContact O-N 3.15Å; L1816-I1974 HydrophobicContact CD1-CG2 3.83Å; L1816-I1974 VanDerWaalsContact CD1-CG2 3.48Å; L1816-W1975 HydrophobicContact CD1-CD2 4.22Å; L1816-W1975 HydrophobicContact CD1-CE3 4.29Å; L1816-W1975 HydrophobicContact CD1-CZ2 4.48Å; L1816-W1975 HydrophobicContact CD1-CZ3 4.45Å; L1816-W1975 HydrophobicContact CD2-CE3 4.09Å; L1816-W1975 HydrophobicContact CD2-CH2 3.99Å; L1816-W1975 HydrophobicContact CD2-CZ2 4.45Å; L1816-W1975 HydrophobicContact CD2-CZ3 3.75Å; L1816-F1978 HydrophobicContact CB-CD2 4.08Å; L1816-F1978 HydrophobicContact CB-CG 4.41Å; L1816-F1978 HydrophobicContact CD2-CD1 4.2Å; L1816-F1978 HydrophobicContact CD2-CD2 4.08Å; L1816-F1978 HydrophobicContact CD2-CE1 4.18Å; L1816-F1978 HydrophobicContact CD2-CE2 4.3Å; L1816-F1978 HydrophobicContact CD2-CG 4.08Å; L1816-F1978 HydrophobicContact CD2-CZ 4.35Å; L1816-F1978 WeakPolarHBondContact O-CD2 3.37Å; L1816-F1978 WeakPolarHBondContact O-CE2 3.46Å |
| 1817 | K | 84.7 | Confident | 79.2 | Confident | 116 Ų | 116 | 29.6 Ų | 29.6 | 50% | 0.504 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.2 | -47.5 | 171.5 | -75.8 | 170.6 | 179.1 | 175.5 | 0 | 111.4 | T1662 Q1813 T1814 L1815 F1819 N1820 A1821 | T1662-K1817 HydrophobicContact CG2-CB 4.43Å; Q1813-K1817 HydrophobicContact CG-CD 4.49Å; Q1813-K1817 WeakPolarHBondContact O-CB 3.39Å; Q1813-K1817 VanDerWaalsContact O-CG 3.28Å; Q1813-K1817 WeakPolarHBondContact O-CG 3.44Å; Q1813-K1817 PolarHBondContact O-N 3.11Å; T1814-K1817 PolarHBondContact O-N 3.11Å; L1815-K1817 VanDerWaalsContact C-N 3.35Å; K1817-F1819 VanDerWaalsContact C-N 3.34Å; K1817-F1819 PolarHBondContact O-N 3.3Å; K1817-N1820 WeakPolarHBondContact O-CB 3.24Å; K1817-N1820 PolarHBondContact O-N 3.03Å; K1817-A1821 WeakPolarHBondContact O-CB 3.35Å; K1817-A1821 PolarHBondContact O-N 3.11Å |
| 1818 | L | 84.3 | Confident | 78.3 | Confident | 7.6 Ų | 7.6 | 28.9 Ų | 28.9 | 4% | 0.04 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 176.2 | 176.6 | 69.6 | 0 | 0 | 0 | 111.1 | M1591 A1658 L1661 T1662 V1665 V1755 T1814 L1815 N1820 A1821 I1822 | M1591-L1818 HydrophobicContact CE-CD2 4.09Å; M1591-L1818 HydrophobicContact SD-CD2 4.27Å; A1658-L1818 HydrophobicContact CB-CD2 4.16Å; L1661-L1818 HydrophobicContact CB-CD1 3.75Å; L1661-L1818 HydrophobicContact CB-CD2 4.14Å; L1661-L1818 HydrophobicContact CD1-CD2 4.43Å; T1662-L1818 WeakPolarHBondContact OG1-CB 3.42Å; V1665-L1818 HydrophobicContact CG2-CD1 4.34Å; V1755-L1818 HydrophobicContact CG1-CD2 4.11Å; V1755-L1818 HydrophobicContact CG1-CG 4.17Å; V1755-L1818 HydrophobicContact CG2-CD2 3.67Å; V1755-L1818 HydrophobicContact CG2-CG 4.16Å; T1814-L1818 WeakPolarHBondContact O-CB 3.37Å; T1814-L1818 PolarHBondContact O-N 3.23Å; L1815-L1818 PolarHBondContact O-N 3.21Å; L1818-N1820 VanDerWaalsContact C-N 3.35Å; L1818-N1820 PolarHBondContact O-N 3.27Å; L1818-A1821 WeakPolarHBondContact O-CB 3.43Å; L1818-A1821 PolarHBondContact O-N 3.02Å; L1818-I1822 HydrophobicContact CD1-CD1 3.99Å; L1818-I1822 HydrophobicContact CD1-CG1 4.37Å; L1818-I1822 HydrophobicContact CD2-CD1 3.31Å; L1818-I1822 HydrophobicContact CD2-CG1 4.33Å; L1818-I1822 HydrophobicContact CG-CD1 3.89Å; L1818-I1822 HydrophobicContact CG-CG1 4.21Å; L1818-I1822 VanDerWaalsContact O-CB 3.28Å; L1818-I1822 WeakPolarHBondContact O-CB 3.43Å; L1818-I1822 VanDerWaalsContact O-CG1 3.31Å; L1818-I1822 WeakPolarHBondContact O-CG1 3.36Å; L1818-I1822 PolarHBondContact O-N 3.13Å |
| 1819 | F | 84.1 | Confident | 77.2 | Confident | 2.2 Ų | 2.2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 177.6 | -172.8 | -109.4 | 0 | 0 | 0 | 112.3 | V1755 L1756 L1815 L1816 K1817 A1821 I1822 L1823 W1828 F1938 F1978 W1986 | V1755-F1819 HydrophobicContact CG1-CB 4.15Å; V1755-F1819 HydrophobicContact CG1-CD2 4.29Å; L1756-F1819 HydrophobicContact CD1-CE2 4.09Å; L1756-F1819 HydrophobicContact CD1-CZ 4.36Å; L1756-F1819 HydrophobicContact CD2-CD2 4.25Å; L1756-F1819 HydrophobicContact CD2-CE1 4.22Å; L1756-F1819 HydrophobicContact CD2-CE2 3.65Å; L1756-F1819 HydrophobicContact CD2-CZ 3.64Å; L1756-F1819 VanDerWaalsContact CD2-CZ 3.5Å; L1756-F1819 HydrophobicContact CG-CD2 4.31Å; L1756-F1819 HydrophobicContact CG-CE2 3.68Å; L1756-F1819 HydrophobicContact CG-CZ 4.12Å; L1815-F1819 VanDerWaalsContact O-CB 3.31Å; L1815-F1819 WeakPolarHBondContact O-CB 3.4Å; L1815-F1819 PolarHBondContact O-N 3.35Å; L1816-F1819 WeakPolarHBondContact O-CB 3.35Å; L1816-F1819 PolarHBondContact O-N 3.37Å; K1817-F1819 VanDerWaalsContact C-N 3.34Å; K1817-F1819 PolarHBondContact O-N 3.3Å; F1819-A1821 VanDerWaalsContact C-N 3.34Å; F1819-A1821 PolarHBondContact O-N 3.1Å; F1819-I1822 WeakPolarHBondContact O-CB 3.49Å; F1819-I1822 PolarHBondContact O-N 3.26Å; F1819-I1822 VanDerWaalsContact O-N 3.17Å; F1819-L1823 HydrophobicContact CD1-CD1 4.07Å; F1819-L1823 HydrophobicContact CD1-CG 4.42Å; F1819-L1823 HydrophobicContact CD2-CD1 4.34Å; F1819-L1823 HydrophobicContact CE1-CD1 3.7Å; F1819-L1823 VanDerWaalsContact CE1-CD1 3.44Å; F1819-L1823 HydrophobicContact CE1-CD2 4.32Å; F1819-L1823 HydrophobicContact CE1-CG 4.09Å; F1819-L1823 HydrophobicContact CE2-CD1 3.87Å; F1819-L1823 HydrophobicContact CE2-CD2 4.47Å; F1819-L1823 HydrophobicContact CE2-CG 4.48Å; F1819-L1823 HydrophobicContact CG-CD1 4.4Å; F1819-L1823 HydrophobicContact CZ-CD1 4.02Å; F1819-L1823 HydrophobicContact CZ-CD2 4.06Å; F1819-L1823 HydrophobicContact CZ-CG 4.21Å; F1819-L1823 WeakPolarHBondContact O-CG 3.27Å; F1819-L1823 PolarHBondContact O-N 3.22Å; F1819-W1828 HydrophobicContact CE1-CH2 4.43Å; F1819-W1828 HydrophobicContact CE2-CH2 4.28Å; F1819-W1828 HydrophobicContact CE2-CZ2 4.18Å; F1819-W1828 AromaticContact CZ-CH2 3.8Å; F1819-W1828 HydrophobicContact CZ-CH2 3.88Å; F1819-W1828 AromaticContact CZ-CZ2 3.93Å; F1819-W1828 HydrophobicContact CZ-CZ2 4.04Å; F1819-W1828 HydrophobicContact CZ-CZ3 4.22Å; F1819-F1938 HydrophobicContact CD1-CD2 4.19Å; F1819-F1938 AromaticContact CD1-CE2 3.9Å; F1819-F1938 HydrophobicContact CD1-CE2 3.98Å; F1819-F1938 HydrophobicContact CE1-CD1 4.45Å; F1819-F1938 AromaticContact CE1-CD2 3.52Å; F1819-F1938 HydrophobicContact CE1-CD2 3.52Å; F1819-F1938 VanDerWaalsContact CE1-CD2 3.45Å; F1819-F1938 HydrophobicContact CE1-CE1 4.37Å; F1819-F1938 AromaticContact CE1-CE2 3.48Å; F1819-F1938 HydrophobicContact CE1-CE2 3.48Å; F1819-F1938 VanDerWaalsContact CE1-CE2 3.45Å; F1819-F1938 HydrophobicContact CE1-CG 4.14Å; F1819-F1938 AromaticContact CE1-CZ 3.89Å; F1819-F1938 HydrophobicContact CE1-CZ 4.07Å; F1819-F1938 HydrophobicContact CE2-CE2 4.37Å; F1819-F1938 AromaticContact CZ-CD2 3.81Å; F1819-F1938 HydrophobicContact CZ-CD2 4.05Å; F1819-F1938 AromaticContact CZ-CE2 3.77Å; F1819-F1938 HydrophobicContact CZ-CE2 4.14Å; F1819-F1938 HydrophobicContact CZ-CG 4.33Å; F1819-F1938 HydrophobicContact CZ-CZ 4.18Å; F1819-F1978 AromaticContact CD1-CE2 3.94Å; F1819-F1978 HydrophobicContact CD1-CE2 3.97Å; F1819-F1978 AromaticContact CD1-CZ 3.72Å; F1819-F1978 HydrophobicContact CD1-CZ 3.72Å; F1819-F1978 HydrophobicContact CE1-CE2 4.19Å; F1819-F1978 AromaticContact CE1-CZ 3.87Å; F1819-F1978 HydrophobicContact CE1-CZ 4.03Å; F1819-W1986 AromaticContact CE1-CH2 3.94Å; F1819-W1986 HydrophobicContact CE1-CH2 4.01Å; F1819-W1986 HydrophobicContact CE1-CZ2 4.38Å; F1819-W1986 HydrophobicContact CZ-CH2 4.39Å |
| 1820 | N | 82.6 | Confident | 75.7 | Confident | 34.2 Ų | 34.2 | 32 Ų | 32 | 18% | 0.183 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 172.6 | -157.5 | 70.4 | 0 | 0 | 0 | 112 | L1816 K1817 L1818 I1822 L1823 H1824 F1978 K1981 S1982 | L1816-N1820 VanDerWaalsContact O-CB 3.32Å; L1816-N1820 WeakPolarHBondContact O-CB 3.37Å; L1816-N1820 PolarHBondContact O-N 3.15Å; K1817-N1820 WeakPolarHBondContact O-CB 3.24Å; K1817-N1820 PolarHBondContact O-N 3.03Å; L1818-N1820 VanDerWaalsContact C-N 3.35Å; L1818-N1820 PolarHBondContact O-N 3.27Å; N1820-I1822 VanDerWaalsContact C-N 3.28Å; N1820-I1822 PolarHBondContact O-N 3.24Å; N1820-L1823 WeakPolarHBondContact O-CB 3.41Å; N1820-L1823 PolarHBondContact O-N 3.12Å; N1820-L1823 VanDerWaalsContact O-N 3.11Å; N1820-H1824 PolarHBondContact ND2-CD2 2.94Å; N1820-H1824 VanDerWaalsContact ND2-CD2 3.3Å; N1820-H1824 PolarHBondContact ND2-NE2 3.31Å; N1820-H1824 PolarHBondContact O-CD2 3.32Å; N1820-H1824 VanDerWaalsContact O-CD2 3.22Å; N1820-H1824 PolarHBondContact O-N 3.11Å; N1820-H1824 VanDerWaalsContact O-N 3.14Å; N1820-F1978 HydrophobicContact CB-CD2 4.04Å; N1820-F1978 HydrophobicContact CB-CE2 3.88Å; N1820-F1978 WeakPolarHBondContact OD1-CE2 3.28Å; N1820-K1981 WeakPolarHBondContact OD1-CB 3.18Å; N1820-S1982 WeakPolarHBondContact OD1-CB 3.41Å; N1820-S1982 PolarHBondContact OD1-N 3.2Å |
| 1821 | A | 80.8 | Confident | 73.7 | Confident | 14.2 Ų | 14.2 | 37.6 Ų | 37.6 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1662 V1665 E1666 I1669 K1817 L1818 F1819 L1823 H1824 L1825 | T1662-A1821 HydrophobicContact CG2-CB 4.48Å; V1665-A1821 HydrophobicContact CB-CB 4.23Å; V1665-A1821 VanDerWaalsContact CG1-C 3.43Å; V1665-A1821 HydrophobicContact CG1-CB 3.58Å; V1665-A1821 VanDerWaalsContact CG1-O 3.26Å; V1665-A1821 WeakPolarHBondContact CG1-O 3.43Å; E1666-A1821 HydrophobicContact CG-CB 4.38Å; I1669-A1821 HydrophobicContact CD1-CB 4.38Å; I1669-A1821 WeakPolarHBondContact CD1-O 3.33Å; K1817-A1821 WeakPolarHBondContact O-CB 3.35Å; K1817-A1821 PolarHBondContact O-N 3.11Å; L1818-A1821 WeakPolarHBondContact O-CB 3.43Å; L1818-A1821 PolarHBondContact O-N 3.02Å; F1819-A1821 VanDerWaalsContact C-N 3.34Å; F1819-A1821 PolarHBondContact O-N 3.1Å; A1821-L1823 VanDerWaalsContact C-N 3.27Å; A1821-L1823 PolarHBondContact O-N 3.42Å; A1821-H1824 WeakPolarHBondContact O-CB 3.4Å; A1821-H1824 PolarHBondContact O-CD2 3.01Å; A1821-H1824 PolarHBondContact O-N 3.16Å; A1821-H1824 VanDerWaalsContact O-N 3.11Å; A1821-L1825 WeakPolarHBondContact O-CB 3.22Å; A1821-L1825 PolarHBondContact O-N 3.28Å |
| 1822 | I | 79 | Confident | 71.6 | Confident | 14.4 Ų | 14.4 | 39.2 Ų | 39.2 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.8 | -69.7 | 165 | 0 | 0 | 0 | 111.3 | V1665 L1751 P1752 V1755 L1818 F1819 N1820 H1824 L1825 K1826 P1827 | V1665-I1822 HydrophobicContact CG1-CG1 4.24Å; V1665-I1822 HydrophobicContact CG2-CG1 4.25Å; L1751-I1822 HydrophobicContact CD1-CD1 3.95Å; L1751-I1822 HydrophobicContact CD2-CD1 4.21Å; L1751-I1822 HydrophobicContact CD2-CG1 4.07Å; L1751-I1822 HydrophobicContact CG-CD1 3.75Å; L1751-I1822 HydrophobicContact CG-CG1 4.13Å; P1752-I1822 HydrophobicContact CB-CG2 4.04Å; P1752-I1822 HydrophobicContact CG-CG2 3.83Å; V1755-I1822 HydrophobicContact CB-CD1 4.05Å; V1755-I1822 HydrophobicContact CG1-CD1 4.14Å; V1755-I1822 HydrophobicContact CG2-CD1 3.78Å; L1818-I1822 HydrophobicContact CD1-CD1 3.99Å; L1818-I1822 HydrophobicContact CD1-CG1 4.37Å; L1818-I1822 HydrophobicContact CD2-CD1 3.31Å; L1818-I1822 HydrophobicContact CD2-CG1 4.33Å; L1818-I1822 HydrophobicContact CG-CD1 3.89Å; L1818-I1822 HydrophobicContact CG-CG1 4.21Å; L1818-I1822 VanDerWaalsContact O-CB 3.28Å; L1818-I1822 WeakPolarHBondContact O-CB 3.43Å; L1818-I1822 VanDerWaalsContact O-CG1 3.31Å; L1818-I1822 WeakPolarHBondContact O-CG1 3.36Å; L1818-I1822 PolarHBondContact O-N 3.13Å; F1819-I1822 WeakPolarHBondContact O-CB 3.49Å; F1819-I1822 PolarHBondContact O-N 3.26Å; F1819-I1822 VanDerWaalsContact O-N 3.17Å; N1820-I1822 VanDerWaalsContact C-N 3.28Å; N1820-I1822 PolarHBondContact O-N 3.24Å; I1822-H1824 VanDerWaalsContact C-N 3.31Å; I1822-H1824 PolarHBondContact O-N 3.15Å; I1822-L1825 WeakPolarHBondContact O-CB 3.35Å; I1822-L1825 PolarHBondContact O-N 3.14Å; I1822-L1825 VanDerWaalsContact O-N 3.12Å; I1822-K1826 PolarHBondContact O-N 3.19Å; I1822-P1827 WeakPolarHBondContact O-CD 3.34Å |
| 1823 | L | 75.9 | Confident | 69.3 | Low | 0.6 Ų | 0.6 | 44.3 Ų | 44.3 | 0% | 0.003 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -30.1 | 176.5 | -70.3 | 175.4 | 0 | 0 | 0 | 112.8 | F1819 N1820 A1821 L1825 K1826 P1827 W1828 F1978 Y1985 W1986 | F1819-L1823 HydrophobicContact CD1-CD1 4.07Å; F1819-L1823 HydrophobicContact CD1-CG 4.42Å; F1819-L1823 HydrophobicContact CD2-CD1 4.34Å; F1819-L1823 HydrophobicContact CE1-CD1 3.7Å; F1819-L1823 VanDerWaalsContact CE1-CD1 3.44Å; F1819-L1823 HydrophobicContact CE1-CD2 4.32Å; F1819-L1823 HydrophobicContact CE1-CG 4.09Å; F1819-L1823 HydrophobicContact CE2-CD1 3.87Å; F1819-L1823 HydrophobicContact CE2-CD2 4.47Å; F1819-L1823 HydrophobicContact CE2-CG 4.48Å; F1819-L1823 HydrophobicContact CG-CD1 4.4Å; F1819-L1823 HydrophobicContact CZ-CD1 4.02Å; F1819-L1823 HydrophobicContact CZ-CD2 4.06Å; F1819-L1823 HydrophobicContact CZ-CG 4.21Å; F1819-L1823 WeakPolarHBondContact O-CG 3.27Å; F1819-L1823 PolarHBondContact O-N 3.22Å; N1820-L1823 WeakPolarHBondContact O-CB 3.41Å; N1820-L1823 PolarHBondContact O-N 3.12Å; N1820-L1823 VanDerWaalsContact O-N 3.11Å; A1821-L1823 VanDerWaalsContact C-N 3.27Å; A1821-L1823 PolarHBondContact O-N 3.42Å; L1823-L1825 HydrophobicContact CB-CD1 4.24Å; L1823-L1825 HydrophobicContact CB-CD2 3.66Å; L1823-L1825 HydrophobicContact CB-CG 3.64Å; L1823-L1825 HydrophobicContact CD1-CD1 4.44Å; L1823-L1825 HydrophobicContact CD1-CD2 4.33Å; L1823-L1825 PolarHBondContact O-N 3.25Å; L1823-K1826 CarbonylContact O-C 3.49Å; L1823-K1826 WeakPolarHBondContact O-CA 3.25Å; L1823-K1826 PolarHBondContact O-N 3.22Å; L1823-P1827 HydrophobicContact CD2-CG 4.35Å; L1823-P1827 VanDerWaalsContact O-CA 3.25Å; L1823-P1827 WeakPolarHBondContact O-CA 3.43Å; L1823-P1827 VanDerWaalsContact O-N 3.09Å; L1823-W1828 HydrophobicContact CD2-CD2 3.89Å; L1823-W1828 HydrophobicContact CD2-CE3 4.01Å; L1823-W1828 HydrophobicContact CD2-CG 4.15Å; L1823-W1828 HydrophobicContact CD2-CH2 3.6Å; L1823-W1828 HydrophobicContact CD2-CZ2 4.19Å; L1823-W1828 HydrophobicContact CD2-CZ3 3.7Å; L1823-F1978 HydrophobicContact CD1-CE2 4.47Å; L1823-F1978 HydrophobicContact CD1-CZ 4.11Å; L1823-Y1985 HydrophobicContact CB-CD2 4.46Å; L1823-Y1985 WeakPolarHBondContact O-CB 3.27Å; L1823-W1986 HydrophobicContact CD1-CH2 4.08Å; L1823-W1986 HydrophobicContact CD1-CZ2 3.51Å; L1823-W1986 VanDerWaalsContact CD1-CZ2 3.49Å; L1823-W1986 HydrophobicContact CD2-CH2 4.42Å; L1823-W1986 HydrophobicContact CD2-CZ2 4.47Å |
| 1824 | H | 74.8 | Confident | 66.9 | Low | 67.6 Ų | 67.6 | 47.6 Ų | 47.6 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -51.3 | -19.1 | 176.7 | -116.3 | -104.7 | 0 | 0 | 0 | 112.7 | I1669 D1673 N1820 A1821 I1822 K1826 P1827 Y1985 | I1669-H1824 HydrophobicContact CD1-CB 3.64Å; I1669-H1824 VanDerWaalsContact CD1-CB 3.42Å; I1669-H1824 WeakPolarHBondContact CD1-ND1 3.4Å; I1669-H1824 HydrophobicContact CG1-CB 4.07Å; I1669-H1824 HydrophobicContact CG2-CB 4.46Å; I1669-H1824 WeakPolarHBondContact CG2-CE1 3.33Å; I1669-H1824 WeakPolarHBondContact CG2-ND1 3.48Å; D1673-H1824 IonicContact OD2-CE1 3.75Å; N1820-H1824 PolarHBondContact ND2-CD2 2.94Å; N1820-H1824 VanDerWaalsContact ND2-CD2 3.3Å; N1820-H1824 PolarHBondContact ND2-NE2 3.31Å; N1820-H1824 PolarHBondContact O-CD2 3.32Å; N1820-H1824 VanDerWaalsContact O-CD2 3.22Å; N1820-H1824 PolarHBondContact O-N 3.11Å; N1820-H1824 VanDerWaalsContact O-N 3.14Å; A1821-H1824 WeakPolarHBondContact O-CB 3.4Å; A1821-H1824 PolarHBondContact O-CD2 3.01Å; A1821-H1824 PolarHBondContact O-N 3.16Å; A1821-H1824 VanDerWaalsContact O-N 3.11Å; I1822-H1824 VanDerWaalsContact C-N 3.31Å; I1822-H1824 PolarHBondContact O-N 3.15Å; H1824-K1826 PolarHBondContact O-N 3.26Å; H1824-K1826 VanDerWaalsContact O-N 3.16Å; H1824-P1827 WeakPolarHBondContact O-CD 3.48Å; H1824-Y1985 HydrophobicContact CB-CD1 4.44Å; H1824-Y1985 HydrophobicContact CB-CD2 4.4Å; H1824-Y1985 HydrophobicContact CB-CE1 4.37Å; H1824-Y1985 HydrophobicContact CB-CE2 4.19Å; H1824-Y1985 AromaticContact CD2-CD2 3.6Å; H1824-Y1985 AromaticContact CD2-CE1 3.54Å; H1824-Y1985 WeakPolarHBondContact CD2-CE1 3.45Å; H1824-Y1985 AromaticContact CD2-CE2 3.28Å; H1824-Y1985 WeakPolarHBondContact CD2-CE2 3.4Å; H1824-Y1985 AromaticContact CD2-CZ 3.57Å; H1824-Y1985 VanDerWaalsContact CD2-CZ 3.43Å; H1824-Y1985 PolarHBondContact CD2-OH 3.04Å; H1824-Y1985 VanDerWaalsContact CD2-OH 3.26Å; H1824-Y1985 AromaticContact CE1-CE2 3.49Å; H1824-Y1985 WeakPolarHBondContact CE1-CE2 3.05Å; H1824-Y1985 AromaticContact CE1-CZ 3.48Å; H1824-Y1985 PolarHBondContact CE1-OH 3.07Å; H1824-Y1985 AromaticContact CG-CE1 3.9Å; H1824-Y1985 AromaticContact CG-CE2 3.7Å; H1824-Y1985 AromaticContact CG-CZ 3.76Å; H1824-Y1985 AromaticContact ND1-CE1 3.79Å; H1824-Y1985 AromaticContact ND1-CE2 3.79Å; H1824-Y1985 AromaticContact ND1-CZ 3.43Å; H1824-Y1985 PolarHBondContact ND1-OH 3.2Å; H1824-Y1985 VanDerWaalsContact ND1-OH 3.16Å; H1824-Y1985 AromaticContact NE2-CD2 3.89Å; H1824-Y1985 AromaticContact NE2-CE2 3.17Å; H1824-Y1985 WeakPolarHBondContact NE2-CE2 3.44Å; H1824-Y1985 AromaticContact NE2-CZ 3.67Å |
| 1825 | L | 70.5 | Confident | 64.3 | Low | 9.6 Ų | 9.6 | 53.5 Ų | 53.5 | 5% | 0.05 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -9.5 | 178 | -100.4 | 136.7 | 0 | 0 | 0 | 112.3 | V1665 L1668 I1669 Q1672 V1742 I1746 A1821 I1822 L1823 Y1985 | V1665-L1825 HydrophobicContact CG1-CB 4.14Å; V1665-L1825 HydrophobicContact CG1-CD1 3.9Å; V1665-L1825 HydrophobicContact CG1-CD2 4.05Å; V1665-L1825 HydrophobicContact CG1-CG 4.19Å; L1668-L1825 HydrophobicContact CB-CD1 3.99Å; L1668-L1825 HydrophobicContact CB-CD2 3.94Å; L1668-L1825 HydrophobicContact CD1-CD2 4.25Å; I1669-L1825 HydrophobicContact CB-CD2 4.32Å; I1669-L1825 HydrophobicContact CD1-CB 4.47Å; I1669-L1825 HydrophobicContact CG1-CB 3.94Å; I1669-L1825 HydrophobicContact CG1-CD1 3.95Å; I1669-L1825 HydrophobicContact CG1-CD2 3.56Å; I1669-L1825 HydrophobicContact CG1-CG 4.15Å; Q1672-L1825 PolarHBondContact NE2-O 2.85Å; V1742-L1825 HydrophobicContact CG1-CB 4.45Å; V1742-L1825 HydrophobicContact CG1-CD1 4Å; V1742-L1825 HydrophobicContact CG1-CD2 4.01Å; V1742-L1825 HydrophobicContact CG1-CG 4Å; V1742-L1825 HydrophobicContact CG2-CD1 4.41Å; I1746-L1825 HydrophobicContact CD1-CB 3.84Å; I1746-L1825 HydrophobicContact CD1-CD1 3.87Å; I1746-L1825 HydrophobicContact CD1-CD2 3.77Å; I1746-L1825 HydrophobicContact CD1-CG 4.12Å; I1746-L1825 HydrophobicContact CG1-CD1 4.09Å; I1746-L1825 HydrophobicContact CG1-CD2 4.16Å; A1821-L1825 WeakPolarHBondContact O-CB 3.22Å; A1821-L1825 PolarHBondContact O-N 3.28Å; I1822-L1825 WeakPolarHBondContact O-CB 3.35Å; I1822-L1825 PolarHBondContact O-N 3.14Å; I1822-L1825 VanDerWaalsContact O-N 3.12Å; L1823-L1825 HydrophobicContact CB-CD1 4.24Å; L1823-L1825 HydrophobicContact CB-CD2 3.66Å; L1823-L1825 HydrophobicContact CB-CG 3.64Å; L1823-L1825 HydrophobicContact CD1-CD1 4.44Å; L1823-L1825 HydrophobicContact CD1-CD2 4.33Å; L1823-L1825 PolarHBondContact O-N 3.25Å; L1825-Y1985 HydrophobicContact CB-CD1 3.94Å; L1825-Y1985 HydrophobicContact CB-CD2 4.3Å; L1825-Y1985 HydrophobicContact CB-CE1 4.11Å; L1825-Y1985 HydrophobicContact CB-CG 4.05Å; L1825-Y1985 HydrophobicContact CD1-CD2 4.24Å; L1825-Y1985 HydrophobicContact CD1-CG 4.48Å; L1825-Y1985 WeakPolarHBondContact O-CE1 3.36Å |
| 1826 | K | 67.4 | Low | 61.9 | Low | 65.2 Ų | 65.2 | 56.3 Ų | 56.3 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | trans | -96.3 | 81.5 | 173.9 | -106.1 | 179.7 | 178.2 | 175.3 | 0 | 111.9 | I1746 I1822 L1823 H1824 W1828 Y1829 E1931 Y1985 H2116 | I1746-K1826 HydrophobicContact CD1-CB 4.21Å; I1822-K1826 PolarHBondContact O-N 3.19Å; L1823-K1826 CarbonylContact O-C 3.49Å; L1823-K1826 WeakPolarHBondContact O-CA 3.25Å; L1823-K1826 PolarHBondContact O-N 3.22Å; H1824-K1826 PolarHBondContact O-N 3.26Å; H1824-K1826 VanDerWaalsContact O-N 3.16Å; K1826-W1828 VanDerWaalsContact C-N 3.31Å; K1826-W1828 VanDerWaalsContact O-CD1 3.27Å; K1826-W1828 PolarHBondContact O-N 3.28Å; K1826-W1828 VanDerWaalsContact O-N 3.11Å; K1826-Y1829 HydrophobicContact CB-CD2 3.65Å; K1826-Y1829 HydrophobicContact CB-CE2 4.42Å; K1826-Y1829 HydrophobicContact CB-CG 4.21Å; K1826-Y1829 HydrophobicContact CD-CD2 4.23Å; K1826-Y1829 HydrophobicContact CG-CD2 3.76Å; K1826-Y1829 HydrophobicContact CG-CE2 4.05Å; K1826-Y1829 HydrophobicContact CG-CG 4.43Å; K1826-Y1829 PolarHBondContact O-N 3.29Å; K1826-E1931 VanDerWaalsContact CE-OE1 3.3Å; K1826-E1931 WeakPolarHBondContact CE-OE1 3.15Å; K1826-E1931 IonicContact NZ-OE1 3.13Å; K1826-E1931 PolarHBondContact NZ-OE1 3.11Å; K1826-Y1985 HydrophobicContact CG-CD1 4.24Å; K1826-Y1985 WeakPolarHBondContact O-CD1 3.24Å; K1826-H2116 WeakPolarHBondContact CE-NE2 3.46Å; K1826-H2116 PolarHBondContact NZ-CE1 3.11Å; K1826-H2116 PolarHBondContact NZ-NE2 3.16Å | ||
| 1827 | P | 60.8 | Low | 59.5 | Low | 31.2 Ų | 31.2 | 61.6 Ų | 61.6 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | trans | -57.7 | 136.6 | 177 | -4.7 | 7.7 | 0 | 0 | 0 | 111.9 | P1752 I1822 L1823 H1824 Y1829 Y1985 I2112 | P1752-P1827 HydrophobicContact CG-CB 4.45Å; I1822-P1827 WeakPolarHBondContact O-CD 3.34Å; L1823-P1827 HydrophobicContact CD2-CG 4.35Å; L1823-P1827 VanDerWaalsContact O-CA 3.25Å; L1823-P1827 WeakPolarHBondContact O-CA 3.43Å; L1823-P1827 VanDerWaalsContact O-N 3.09Å; H1824-P1827 WeakPolarHBondContact O-CD 3.48Å; P1827-Y1829 VanDerWaalsContact C-N 3.29Å; P1827-Y1829 HydrophobicContact CB-CD2 3.6Å; P1827-Y1829 HydrophobicContact CB-CE1 4.29Å; P1827-Y1829 HydrophobicContact CB-CE2 3.62Å; P1827-Y1829 HydrophobicContact CB-CG 4.32Å; P1827-Y1829 HydrophobicContact CG-CD2 4.48Å; P1827-Y1829 HydrophobicContact CG-CE2 4.15Å; P1827-Y1829 WeakPolarHBondContact O-CD2 3.43Å; P1827-Y1829 WeakPolarHBondContact O-CE2 3.48Å; P1827-Y1829 PolarHBondContact O-N 3.08Å; P1827-Y1985 HydrophobicContact CB-CE1 4.43Å; P1827-Y1985 HydrophobicContact CG-CD1 4.28Å; P1827-Y1985 HydrophobicContact CG-CE1 4.2Å; P1827-I2112 HydrophobicContact CB-CG2 4.22Å | ||
| 1828 | W | 58.5 | Low | 57.1 | Low | 15 Ų | 15 | 60.5 Ų | 60.5 | 6% | 0.057 | 31% | 0.31 | C | S | . | . | trans | -84.7 | 46 | -176.4 | -75.7 | -2.1 | 0 | 0 | 0 | 112.9 | L1756 F1819 L1823 K1826 G1830 Q1934 V1935 F1938 Y1985 W1986 F1989 L1993 P2226 | L1756-W1828 HydrophobicContact CD1-CH2 4.07Å; F1819-W1828 HydrophobicContact CE1-CH2 4.43Å; F1819-W1828 HydrophobicContact CE2-CH2 4.28Å; F1819-W1828 HydrophobicContact CE2-CZ2 4.18Å; F1819-W1828 AromaticContact CZ-CH2 3.8Å; F1819-W1828 HydrophobicContact CZ-CH2 3.88Å; F1819-W1828 AromaticContact CZ-CZ2 3.93Å; F1819-W1828 HydrophobicContact CZ-CZ2 4.04Å; F1819-W1828 HydrophobicContact CZ-CZ3 4.22Å; L1823-W1828 HydrophobicContact CD2-CD2 3.89Å; L1823-W1828 HydrophobicContact CD2-CE3 4.01Å; L1823-W1828 HydrophobicContact CD2-CG 4.15Å; L1823-W1828 HydrophobicContact CD2-CH2 3.6Å; L1823-W1828 HydrophobicContact CD2-CZ2 4.19Å; L1823-W1828 HydrophobicContact CD2-CZ3 3.7Å; K1826-W1828 VanDerWaalsContact C-N 3.31Å; K1826-W1828 VanDerWaalsContact O-CD1 3.27Å; K1826-W1828 PolarHBondContact O-N 3.28Å; K1826-W1828 VanDerWaalsContact O-N 3.11Å; W1828-G1830 VanDerWaalsContact C-N 3.3Å; W1828-G1830 PolarHBondContact O-N 3.46Å; W1828-G1830 VanDerWaalsContact O-N 3.1Å; W1828-Q1934 HydrophobicContact CH2-CB 3.87Å; W1828-Q1934 HydrophobicContact CZ2-CB 4.17Å; W1828-V1935 HydrophobicContact CD2-CG2 4.23Å; W1828-V1935 HydrophobicContact CE3-CG2 3.9Å; W1828-V1935 HydrophobicContact CG-CG2 4.43Å; W1828-V1935 HydrophobicContact CH2-CB 4.49Å; W1828-V1935 HydrophobicContact CH2-CG2 4.18Å; W1828-V1935 HydrophobicContact CZ2-CG2 4.03Å; W1828-V1935 HydrophobicContact CZ3-CB 4.08Å; W1828-V1935 HydrophobicContact CZ3-CG1 4.34Å; W1828-V1935 HydrophobicContact CZ3-CG2 3.86Å; W1828-F1938 AromaticContact CH2-CD1 3.57Å; W1828-F1938 HydrophobicContact CH2-CD1 4.02Å; W1828-F1938 AromaticContact CH2-CE1 3.98Å; W1828-F1938 HydrophobicContact CH2-CE1 3.98Å; W1828-F1938 HydrophobicContact CH2-CG 4.14Å; W1828-F1938 HydrophobicContact CZ3-CD1 4.23Å; W1828-F1938 HydrophobicContact CZ3-CE1 4.29Å; W1828-Y1985 PolarHBondContact N-O 3.01Å; W1828-W1986 HydrophobicContact CE3-CE3 4.14Å; W1828-W1986 HydrophobicContact CE3-CH2 4.26Å; W1828-W1986 AromaticContact CE3-CZ3 3.53Å; W1828-W1986 HydrophobicContact CE3-CZ3 3.96Å; W1828-W1986 HydrophobicContact CH2-CH2 4.33Å; W1828-W1986 AromaticContact CH2-CZ3 3.86Å; W1828-W1986 HydrophobicContact CH2-CZ3 3.86Å; W1828-W1986 HydrophobicContact CZ3-CD2 4.49Å; W1828-W1986 AromaticContact CZ3-CE3 3.61Å; W1828-W1986 HydrophobicContact CZ3-CE3 4.05Å; W1828-W1986 HydrophobicContact CZ3-CH2 4.05Å; W1828-W1986 AromaticContact CZ3-CZ3 3.47Å; W1828-W1986 HydrophobicContact CZ3-CZ3 3.47Å; W1828-F1989 HydrophobicContact CB-CD2 4.19Å; W1828-F1989 HydrophobicContact CB-CE2 4.27Å; W1828-F1989 AromaticContact CE3-CD2 3.89Å; W1828-F1989 HydrophobicContact CE3-CD2 3.89Å; W1828-F1989 HydrophobicContact CE3-CE2 4.39Å; W1828-F1989 HydrophobicContact CG-CD2 4.38Å; W1828-F1989 HydrophobicContact CG-CE2 4.46Å; W1828-L1993 HydrophobicContact CZ3-CD1 4.3Å; W1828-P2226 HydrophobicContact CH2-CG 4.2Å; W1828-P2226 HydrophobicContact CZ2-CG 4.45Å; W1828-P2226 HydrophobicContact CZ3-CG 4.41Å | ||
| 1829 | Y | 55.7 | Low | 54.5 | Low | 82 Ų | 82 | 66.7 Ų | 66.7 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -90.8 | 36.4 | 174.9 | -71.1 | -73.8 | 0 | 0 | 0 | 112 | K1826 P1827 Y1831 S1984 Y1985 G1987 W1988 L2113 H2116 | K1826-Y1829 HydrophobicContact CB-CD2 3.65Å; K1826-Y1829 HydrophobicContact CB-CE2 4.42Å; K1826-Y1829 HydrophobicContact CB-CG 4.21Å; K1826-Y1829 HydrophobicContact CD-CD2 4.23Å; K1826-Y1829 HydrophobicContact CG-CD2 3.76Å; K1826-Y1829 HydrophobicContact CG-CE2 4.05Å; K1826-Y1829 HydrophobicContact CG-CG 4.43Å; K1826-Y1829 PolarHBondContact O-N 3.29Å; P1827-Y1829 VanDerWaalsContact C-N 3.29Å; P1827-Y1829 HydrophobicContact CB-CD2 3.6Å; P1827-Y1829 HydrophobicContact CB-CE1 4.29Å; P1827-Y1829 HydrophobicContact CB-CE2 3.62Å; P1827-Y1829 HydrophobicContact CB-CG 4.32Å; P1827-Y1829 HydrophobicContact CG-CD2 4.48Å; P1827-Y1829 HydrophobicContact CG-CE2 4.15Å; P1827-Y1829 WeakPolarHBondContact O-CD2 3.43Å; P1827-Y1829 WeakPolarHBondContact O-CE2 3.48Å; P1827-Y1829 PolarHBondContact O-N 3.08Å; Y1829-Y1831 PolarHBondContact O-N 3.13Å; Y1829-S1984 PolarHBondContact OH-O 3.29Å; Y1829-S1984 VanDerWaalsContact OH-O 3.13Å; Y1829-Y1985 VanDerWaalsContact CE2-O 3.3Å; Y1829-Y1985 WeakPolarHBondContact CE2-O 3.46Å; Y1829-G1987 VanDerWaalsContact CZ-N 3.3Å; Y1829-G1987 WeakPolarHBondContact OH-CA 3.49Å; Y1829-G1987 PolarHBondContact OH-N 3.41Å; Y1829-W1988 PolarHBondContact O-NE1 2.61Å; Y1829-L2113 WeakPolarHBondContact OH-CD2 3.43Å; Y1829-H2116 VanDerWaalsContact CA-NE2 3.31Å; Y1829-H2116 WeakPolarHBondContact CA-NE2 2.94Å; Y1829-H2116 AromaticContact CE2-NE2 3.99Å; Y1829-H2116 AromaticContact CZ-CD2 3.73Å; Y1829-H2116 AromaticContact CZ-NE2 3.84Å; Y1829-H2116 PolarHBondContact OH-CD2 3.26Å; Y1829-H2116 PolarHBondContact OH-NE2 3Å; Y1829-H2116 VanDerWaalsContact OH-NE2 3.07Å | ||
| 1830 | G | 46.4 | Very low | 52.1 | Low | 31 Ų | 31 | 73.6 Ų | 73.6 | 32% | 0.32 | 37% | 0.368 | S | S | . | . | trans | -54.8 | 23 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116 | W1828 C1832 H2116 | W1828-G1830 VanDerWaalsContact C-N 3.3Å; W1828-G1830 PolarHBondContact O-N 3.46Å; W1828-G1830 VanDerWaalsContact O-N 3.1Å; G1830-C1832 VanDerWaalsContact C-N 3.32Å; G1830-C1832 PolarHBondContact O-N 3.12Å; G1830-H2116 PolarHBondContact N-CE1 3.46Å; G1830-H2116 PolarHBondContact N-NE2 2.92Å; G1830-H2116 VanDerWaalsContact N-NE2 3.18Å; G1830-H2116 PolarHBondContact O-CE1 3.36Å; G1830-H2116 PolarHBondContact O-ND1 2.91Å | ||
| 1831 | Y | 39.7 | Very low | 49.8 | Very low | 149 Ų | 149 | 78.2 Ų | 78.2 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | trans | -86.1 | 35.1 | -172.2 | -153.7 | -93.4 | 0 | 0 | 0 | 113 | Y1829 D1833 W1988 | Y1829-Y1831 PolarHBondContact O-N 3.13Å; Y1831-D1833 PolarHBondContact O-N 3.17Å; Y1831-W1988 HydrophobicContact CD1-CD2 4.29Å; Y1831-W1988 AromaticContact CD1-CE2 3.87Å; Y1831-W1988 HydrophobicContact CD1-CE3 4.39Å; Y1831-W1988 AromaticContact CD1-CH2 3.66Å; Y1831-W1988 HydrophobicContact CD1-CH2 3.66Å; Y1831-W1988 AromaticContact CD1-CZ2 3.47Å; Y1831-W1988 HydrophobicContact CD1-CZ2 3.47Å; Y1831-W1988 HydrophobicContact CD1-CZ3 4.22Å; Y1831-W1988 HydrophobicContact CD2-CZ2 4.05Å; Y1831-W1988 AromaticContact CE1-CH2 3.7Å; Y1831-W1988 HydrophobicContact CE1-CH2 3.91Å; Y1831-W1988 AromaticContact CE1-CZ2 3.93Å; Y1831-W1988 HydrophobicContact CE1-CZ2 4.2Å; Y1831-W1988 HydrophobicContact CE1-CZ3 4.23Å; Y1831-W1988 HydrophobicContact CE2-CZ2 4.15Å; Y1831-W1988 HydrophobicContact CG-CZ2 4.24Å | ||
| 1832 | C | 37.6 | Very low | 47.5 | Very low | 59.8 Ų | 59.8 | 84.8 Ų | 84.8 | 40% | 0.404 | 42% | 0.417 | S | S | . | . | trans | -92.4 | 65.1 | 175.4 | -73.9 | 0 | 0 | 0 | 0 | 112 | G1830 R1834 M1835 I1928 W1988 K2117 | G1830-C1832 VanDerWaalsContact C-N 3.32Å; G1830-C1832 PolarHBondContact O-N 3.12Å; C1832-R1834 VanDerWaalsContact C-N 3.29Å; C1832-R1834 PolarHBondContact O-N 3.37Å; C1832-R1834 VanDerWaalsContact O-N 3.17Å; C1832-M1835 WeakPolarHBondContact O-CB 3.42Å; C1832-M1835 PolarHBondContact O-N 3.07Å; C1832-I1928 HydrophobicContact CB-CD1 4.37Å; C1832-I1928 HydrophobicContact CB-CG1 4.03Å; C1832-I1928 VanDerWaalsContact SG-CG1 3.52Å; C1832-W1988 VanDerWaalsContact SG-CZ2 3.55Å; C1832-K2117 VanDerWaalsContact SG-CE 3.55Å; C1832-K2117 PolarHBondContact SG-NZ 3Å; C1832-K2117 VanDerWaalsContact SG-NZ 3.36Å | ||
| 1833 | D | 36.5 | Very low | 45.4 | Very low | 108.8 Ų | 108.8 | 90.5 Ų | 90.5 | 58% | 0.582 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -75.7 | 12.6 | 173.9 | -110.9 | -2.6 | 0 | 0 | 0 | 115.1 | Y1831 M1835 S1836 L1837 | Y1831-D1833 PolarHBondContact O-N 3.17Å; D1833-M1835 VanDerWaalsContact C-N 3.31Å; D1833-M1835 PolarHBondContact O-N 3.32Å; D1833-M1835 VanDerWaalsContact O-N 3.15Å; D1833-M1835 PolarHBondContact OD1-N 2.75Å; D1833-S1836 WeakPolarHBondContact CA-OG 3.21Å; D1833-S1836 PolarHBondContact O-N 3.08Å; D1833-S1836 PolarHBondContact O-OG 3.1Å; D1833-S1836 PolarHBondContact OD1-N 3.42Å; D1833-S1836 PolarHBondContact OD1-OG 3.26Å; D1833-S1836 WeakPolarHBondContact OD2-CB 3.24Å; D1833-S1836 PolarHBondContact OD2-OG 3.3Å; D1833-L1837 HydrophobicContact CB-CD1 4.05Å; D1833-L1837 WeakPolarHBondContact O-CD1 3.41Å; D1833-L1837 PolarHBondContact O-N 3.06Å; D1833-L1837 VanDerWaalsContact OD2-CD1 3.31Å; D1833-L1837 WeakPolarHBondContact OD2-CD1 3.15Å |
| 1834 | R | 33 | Very low | 43.5 | Very low | 154.2 Ų | 154.2 | 94.2 Ų | 94.2 | 58% | 0.582 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -81.8 | -9.3 | 174.9 | -67.4 | -167.6 | -169.4 | -155.6 | 2.3 | 113.1 | H1747 C1832 S1836 L1837 V1838 | H1747-R1834 PolarHBondContact NE2-NH2 3.49Å; C1832-R1834 VanDerWaalsContact C-N 3.29Å; C1832-R1834 PolarHBondContact O-N 3.37Å; C1832-R1834 VanDerWaalsContact O-N 3.17Å; R1834-S1836 VanDerWaalsContact C-N 3.32Å; R1834-S1836 PolarHBondContact O-N 3.01Å; R1834-L1837 PolarHBondContact O-N 3.45Å; R1834-V1838 VanDerWaalsContact O-CG2 3.26Å; R1834-V1838 WeakPolarHBondContact O-CG2 3.29Å; R1834-V1838 PolarHBondContact O-N 3.34Å; R1834-V1838 VanDerWaalsContact O-N 3.11Å |
| 1835 | M | 28.9 | Very low | 41.7 | Very low | 141.8 Ų | 141.8 | 98.5 Ų | 98.5 | 70% | 0.699 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -93.6 | -17.7 | 179 | -144 | 83.6 | 171.7 | 0 | 0 | 113.3 | C1832 D1833 | C1832-M1835 WeakPolarHBondContact O-CB 3.42Å; C1832-M1835 PolarHBondContact O-N 3.07Å; D1833-M1835 VanDerWaalsContact C-N 3.31Å; D1833-M1835 PolarHBondContact O-N 3.32Å; D1833-M1835 VanDerWaalsContact O-N 3.15Å; D1833-M1835 PolarHBondContact OD1-N 2.75Å |
| 1836 | S | 33.7 | Very low | 40 | Very low | 71.2 Ų | 71.2 | 106.3 Ų | 106.3 | 50% | 0.498 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -83.5 | -33.2 | 173.2 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | D1833 R1834 V1838 K1839 H1840 | D1833-S1836 WeakPolarHBondContact CA-OG 3.21Å; D1833-S1836 PolarHBondContact O-N 3.08Å; D1833-S1836 PolarHBondContact O-OG 3.1Å; D1833-S1836 PolarHBondContact OD1-N 3.42Å; D1833-S1836 PolarHBondContact OD1-OG 3.26Å; D1833-S1836 WeakPolarHBondContact OD2-CB 3.24Å; D1833-S1836 PolarHBondContact OD2-OG 3.3Å; R1834-S1836 VanDerWaalsContact C-N 3.32Å; R1834-S1836 PolarHBondContact O-N 3.01Å; S1836-V1838 VanDerWaalsContact C-N 3.34Å; S1836-V1838 PolarHBondContact O-N 3.05Å; S1836-K1839 PolarHBondContact O-N 3.11Å; S1836-H1840 PolarHBondContact O-N 3.02Å |
| 1837 | L | 33.9 | Very low | 38.2 | Very low | 117 Ų | 117 | 110 Ų | 110 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.8 | -25.8 | -178.3 | -92.2 | 125 | 0 | 0 | 0 | 113.6 | D1833 R1834 K1839 H1840 H1841 | D1833-L1837 HydrophobicContact CB-CD1 4.05Å; D1833-L1837 WeakPolarHBondContact O-CD1 3.41Å; D1833-L1837 PolarHBondContact O-N 3.06Å; D1833-L1837 VanDerWaalsContact OD2-CD1 3.31Å; D1833-L1837 WeakPolarHBondContact OD2-CD1 3.15Å; R1834-L1837 PolarHBondContact O-N 3.45Å; L1837-K1839 VanDerWaalsContact C-N 3.28Å; L1837-K1839 PolarHBondContact O-N 3.14Å; L1837-H1840 PolarHBondContact O-N 3.22Å; L1837-H1840 VanDerWaalsContact O-N 3.07Å; L1837-H1841 WeakPolarHBondContact O-CB 3.46Å; L1837-H1841 PolarHBondContact O-N 3.25Å; L1837-H1841 VanDerWaalsContact O-N 3.11Å |
| 1838 | V | 34.9 | Very low | 36.5 | Very low | 94.8 Ų | 94.8 | 114 Ų | 114 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.1 | -21.7 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | R1834 S1836 H1840 H1841 Q1842 | R1834-V1838 VanDerWaalsContact O-CG2 3.26Å; R1834-V1838 WeakPolarHBondContact O-CG2 3.29Å; R1834-V1838 PolarHBondContact O-N 3.34Å; R1834-V1838 VanDerWaalsContact O-N 3.11Å; S1836-V1838 VanDerWaalsContact C-N 3.34Å; S1836-V1838 PolarHBondContact O-N 3.05Å; V1838-H1840 VanDerWaalsContact C-N 3.33Å; V1838-H1840 PolarHBondContact O-N 3.28Å; V1838-H1841 PolarHBondContact O-N 2.84Å; V1838-Q1842 PolarHBondContact O-N 3.44Å |
| 1839 | K | 30.1 | Very low | 35 | Very low | 137.4 Ų | 137.4 | 122.8 Ų | 122.8 | 60% | 0.597 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.5 | -14.5 | 170.9 | -76 | -173.2 | 176.3 | -179.5 | 0 | 112 | S1836 L1837 I1843 D2218 | S1836-K1839 PolarHBondContact O-N 3.11Å; L1837-K1839 VanDerWaalsContact C-N 3.28Å; L1837-K1839 PolarHBondContact O-N 3.14Å; K1839-I1843 WeakPolarHBondContact O-CG1 3.41Å; K1839-D2218 IonicContact NZ-OD2 3.51Å; K1839-D2218 PolarHBondContact NZ-OD2 2.74Å |
| 1840 | H | 32.7 | Very low | 33.7 | Very low | 146.4 Ų | 146.4 | 124.7 Ų | 124.7 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -91.7 | -24.3 | 171.3 | -91.8 | 29.9 | 0 | 0 | 0 | 112.3 | S1836 L1837 V1838 Q1842 I1843 S1844 | S1836-H1840 PolarHBondContact O-N 3.02Å; L1837-H1840 PolarHBondContact O-N 3.22Å; L1837-H1840 VanDerWaalsContact O-N 3.07Å; V1838-H1840 VanDerWaalsContact C-N 3.33Å; V1838-H1840 PolarHBondContact O-N 3.28Å; H1840-Q1842 VanDerWaalsContact C-N 3.28Å; H1840-Q1842 PolarHBondContact O-N 3.04Å; H1840-I1843 PolarHBondContact O-N 3.16Å; H1840-S1844 PolarHBondContact O-N 3.05Å; H1840-S1844 PolarHBondContact O-OG 2.96Å |
| 1841 | H | 34.8 | Very low | 32.8 | Very low | 131.4 Ų | 131.4 | 128.6 Ų | 128.6 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -81.1 | -15.3 | 172.8 | -106.7 | 17.7 | 0 | 0 | 0 | 112.7 | L1837 V1838 I1843 S1844 Q1845 | L1837-H1841 WeakPolarHBondContact O-CB 3.46Å; L1837-H1841 PolarHBondContact O-N 3.25Å; L1837-H1841 VanDerWaalsContact O-N 3.11Å; V1838-H1841 PolarHBondContact O-N 2.84Å; H1841-I1843 VanDerWaalsContact C-N 3.28Å; H1841-I1843 PolarHBondContact O-N 3.09Å; H1841-S1844 WeakPolarHBondContact CA-OG 3.28Å; H1841-S1844 PolarHBondContact O-N 3.13Å; H1841-S1844 PolarHBondContact O-OG 3.13Å; H1841-Q1845 PolarHBondContact CD2-NE2 3.08Å; H1841-Q1845 PolarHBondContact NE2-NE2 2.92Å; H1841-Q1845 VanDerWaalsContact O-CG 3.28Å; H1841-Q1845 WeakPolarHBondContact O-CG 3.29Å; H1841-Q1845 PolarHBondContact O-N 3.01Å |
| 1842 | Q | 33.3 | Very low | 32.1 | Very low | 153.4 Ų | 153.4 | 128 Ų | 128 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -82.2 | -10.9 | 172.8 | -77 | -174 | -27.8 | 0 | 0 | 112.7 | V1838 H1840 | V1838-Q1842 PolarHBondContact O-N 3.44Å; H1840-Q1842 VanDerWaalsContact C-N 3.28Å; H1840-Q1842 PolarHBondContact O-N 3.04Å |
| 1843 | I | 34.6 | Very low | 31.5 | Very low | 133.2 Ų | 133.2 | 133.6 Ų | 133.6 | 68% | 0.683 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -99.8 | -20.1 | 176.1 | -61.5 | 174.5 | 0 | 0 | 0 | 110.1 | K1839 H1840 H1841 Q1845 | K1839-I1843 WeakPolarHBondContact O-CG1 3.41Å; H1840-I1843 PolarHBondContact O-N 3.16Å; H1841-I1843 VanDerWaalsContact C-N 3.28Å; H1841-I1843 PolarHBondContact O-N 3.09Å; I1843-Q1845 VanDerWaalsContact C-N 3.31Å; I1843-Q1845 PolarHBondContact O-N 3.12Å |
| 1844 | S | 36.4 | Very low | 30.9 | Very low | 78.2 Ų | 78.2 | 135.7 Ų | 135.7 | 55% | 0.547 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -89.2 | -6.1 | 174.5 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | H1840 H1841 Q1846 | H1840-S1844 PolarHBondContact O-N 3.05Å; H1840-S1844 PolarHBondContact O-OG 2.96Å; H1841-S1844 WeakPolarHBondContact CA-OG 3.28Å; H1841-S1844 PolarHBondContact O-N 3.13Å; H1841-S1844 PolarHBondContact O-OG 3.13Å; S1844-Q1846 VanDerWaalsContact C-N 3.35Å; S1844-Q1846 PolarHBondContact O-N 3.04Å |
| 1845 | Q | 37 | Very low | 30.5 | Very low | 158.8 Ų | 158.8 | 134 Ų | 134 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 5.1 | 178.2 | -77.3 | -174.6 | -6.5 | 0 | 0 | 113.8 | H1841 I1843 | H1841-Q1845 PolarHBondContact CD2-NE2 3.08Å; H1841-Q1845 PolarHBondContact NE2-NE2 2.92Å; H1841-Q1845 VanDerWaalsContact O-CG 3.28Å; H1841-Q1845 WeakPolarHBondContact O-CG 3.29Å; H1841-Q1845 PolarHBondContact O-N 3.01Å; I1843-Q1845 VanDerWaalsContact C-N 3.31Å; I1843-Q1845 PolarHBondContact O-N 3.12Å |
| 1846 | Q | 34.1 | Very low | 30.3 | Very low | 172.4 Ų | 172.4 | 133.7 Ų | 133.7 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 1.3 | 172.6 | -76.1 | -173.2 | -18.6 | 0 | 0 | 113 | S1844 | S1844-Q1846 VanDerWaalsContact C-N 3.35Å; S1844-Q1846 PolarHBondContact O-N 3.04Å |
| 1847 | N | 29.6 | Very low | 30.1 | Very low | 143.8 Ų | 143.8 | 135.1 Ų | 135.1 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -131.8 | 57 | -178 | -72.5 | -30.5 | 0 | 0 | 0 | 114.6 | ||
| 1848 | C | 25.9 | Very low | 30.1 | Very low | 114.6 Ų | 114.6 | 133 Ų | 133 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | trans | -162.8 | 92.7 | 165.8 | -84.9 | 0 | 0 | 0 | 0 | 112.3 | T1850 | C1848-T1850 PolarHBondContact O-N 3.37Š| ||
| 1849 | Q | 26.2 | Very low | 30 | Very low | 200.4 Ų | 200.4 | 134.3 Ų | 134.3 | 94% | 0.936 | 73% | 0.726 | S | S | * | * | trans | -91.8 | 84.7 | 166.3 | -72.2 | -178 | -14.8 | 0 | 0 | 110.3 | ||||
| 1850 | T | 28 | Very low | 30.4 | Very low | 120.4 Ų | 120.4 | 132.4 Ų | 132.4 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | trans | -146.4 | 128.4 | 166.7 | 42 | 0 | 0 | 0 | 0 | 111.2 | C1848 | C1848-T1850 PolarHBondContact O-N 3.37Š| ||
| 1851 | S | 27.4 | Very low | 30.7 | Very low | 113.8 Ų | 113.8 | 129.7 Ų | 129.7 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | 37.9 | 104.5 | 167.2 | 50.5 | 0 | 0 | 0 | 0 | 116.6 | E1853 | S1851-E1853 PolarHBondContact O-N 2.81Š| ||
| 1852 | T | 24.8 | Very low | 31.2 | Very low | 135.6 Ų | 135.6 | 126.1 Ų | 126.1 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | trans | -81.1 | 109.4 | 166.5 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1853 | E | 25 | Very low | 31.9 | Very low | 177.6 Ų | 177.6 | 122.4 Ų | 122.4 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | trans | -113.5 | 128.4 | 160.9 | -71.6 | -170 | 159.2 | 0 | 0 | 109.5 | S1851 C1855 | S1851-E1853 PolarHBondContact O-N 2.81Å; E1853-C1855 PolarHBondContact O-N 3.34Å | ||
| 1854 | L | 24.2 | Very low | 32.5 | Very low | 153.8 Ų | 153.8 | 117.9 Ų | 117.9 | 81% | 0.805 | 65% | 0.653 | S | S | * | * | trans | -84.1 | 103.5 | -177.9 | -86.4 | 84.3 | 0 | 0 | 0 | 110.6 | N1856 | L1854-N1856 VanDerWaalsContact C-N 3.3Å; L1854-N1856 PolarHBondContact O-N 3.11Å | ||
| 1855 | C | 23.9 | Very low | 32.8 | Very low | 117.6 Ų | 117.6 | 116.6 Ų | 116.6 | 80% | 0.795 | 64% | 0.642 | S | S | * | * | trans | -82.8 | 99 | 168.2 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | E1853 S1857 | E1853-C1855 PolarHBondContact O-N 3.34Å; C1855-S1857 VanDerWaalsContact C-N 3.3Å; C1855-S1857 PolarHBondContact O-N 3.21Å; C1855-S1857 VanDerWaalsContact O-N 3.11Å | ||
| 1856 | N | 26.7 | Very low | 33 | Very low | 136.4 Ų | 136.4 | 111 Ų | 111 | 73% | 0.729 | 62% | 0.62 | S | S | * | * | trans | -69.5 | 100.8 | 173.5 | -77.8 | -23.2 | 0 | 0 | 0 | 111 | L1854 S1858 | L1854-N1856 VanDerWaalsContact C-N 3.3Å; L1854-N1856 PolarHBondContact O-N 3.11Å; N1856-S1858 VanDerWaalsContact C-N 3.3Å; N1856-S1858 PolarHBondContact O-N 2.96Å | ||
| 1857 | S | 29.1 | Very low | 33.2 | Very low | 100.6 Ų | 100.6 | 105.7 Ų | 105.7 | 70% | 0.703 | 60% | 0.601 | S | S | * | * | trans | -95.8 | 66.7 | 176.4 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | C1855 N1859 | C1855-S1857 VanDerWaalsContact C-N 3.3Å; C1855-S1857 PolarHBondContact O-N 3.21Å; C1855-S1857 VanDerWaalsContact O-N 3.11Å; S1857-N1859 PolarHBondContact O-N 3.2Å; S1857-N1859 VanDerWaalsContact O-N 3.13Å | ||
| 1858 | S | 33.2 | Very low | 33.7 | Very low | 73.4 Ų | 73.4 | 102 Ų | 102 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | trans | -100.3 | 60.8 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | N1856 H1860 Y1879 | N1856-S1858 VanDerWaalsContact C-N 3.3Å; N1856-S1858 PolarHBondContact O-N 2.96Å; S1858-H1860 VanDerWaalsContact C-N 3.3Å; S1858-H1860 WeakPolarHBondContact CB-NE2 3.19Å; S1858-H1860 PolarHBondContact O-CD2 3.5Å; S1858-H1860 VanDerWaalsContact O-CD2 3.22Å; S1858-H1860 PolarHBondContact O-N 3.32Å; S1858-H1860 PolarHBondContact OG-CD2 3.41Å; S1858-H1860 VanDerWaalsContact OG-CD2 3.23Å; S1858-H1860 PolarHBondContact OG-NE2 2.9Å; S1858-Y1879 WeakPolarHBondContact CB-OH 3.4Å; S1858-Y1879 PolarHBondContact O-OH 3.38Å; S1858-Y1879 WeakPolarHBondContact OG-CE2 3.43Å | ||
| 1859 | N | 33.8 | Very low | 34.4 | Very low | 121.6 Ų | 121.6 | 100.3 Ų | 100.3 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | trans | -82.5 | 46.1 | 177.4 | -74.5 | -19.6 | 0 | 0 | 0 | 112.1 | S1857 L1861 L1862 | S1857-N1859 PolarHBondContact O-N 3.2Å; S1857-N1859 VanDerWaalsContact O-N 3.13Å; N1859-L1861 PolarHBondContact O-N 2.91Å; N1859-L1862 PolarHBondContact O-N 3.32Å; N1859-L1862 VanDerWaalsContact O-N 3.14Å | ||
| 1860 | H | 37.7 | Very low | 35.2 | Very low | 96.8 Ų | 96.8 | 94 Ų | 94 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -78.7 | 50 | -177.8 | -71.8 | -65 | 0 | 0 | 0 | 112.7 | H1747 C1750 S1858 L1862 I1930 | H1747-H1860 AromaticContact ND1-NE2 3.81Å; H1747-H1860 PolarHBondContact O-CE1 2.89Å; C1750-H1860 PolarHBondContact SG-ND1 3.04Å; S1858-H1860 VanDerWaalsContact C-N 3.3Å; S1858-H1860 WeakPolarHBondContact CB-NE2 3.19Å; S1858-H1860 PolarHBondContact O-CD2 3.5Å; S1858-H1860 VanDerWaalsContact O-CD2 3.22Å; S1858-H1860 PolarHBondContact O-N 3.32Å; S1858-H1860 PolarHBondContact OG-CD2 3.41Å; S1858-H1860 VanDerWaalsContact OG-CD2 3.23Å; S1858-H1860 PolarHBondContact OG-NE2 2.9Å; H1860-L1862 PolarHBondContact O-N 3.38Å; H1860-I1930 HydrophobicContact CB-CD1 4.2Å |
| 1861 | L | 40 | Very low | 35.8 | Very low | 89.8 Ų | 89.8 | 93.1 Ų | 93.1 | 47% | 0.47 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -77.9 | 5.2 | 167.4 | -75.3 | 169.1 | 0 | 0 | 0 | 114.4 | K1344 H1748 N1859 W1863 Y1879 T1883 W1917 I1930 | K1344-L1861 WeakPolarHBondContact CE-O 3.22Å; K1344-L1861 PolarHBondContact NZ-O 3.34Å; H1748-L1861 WeakPolarHBondContact O-CD2 3.16Å; N1859-L1861 PolarHBondContact O-N 2.91Å; L1861-W1863 PolarHBondContact O-N 3.08Å; L1861-Y1879 WeakPolarHBondContact CB-OH 3.3Å; L1861-Y1879 HydrophobicContact CD1-CE1 4.37Å; L1861-Y1879 WeakPolarHBondContact CD1-OH 3Å; L1861-T1883 HydrophobicContact CD1-CG2 4Å; L1861-W1917 HydrophobicContact CD1-CE3 3.68Å; L1861-W1917 HydrophobicContact CD1-CH2 4.02Å; L1861-W1917 HydrophobicContact CD1-CZ3 3.34Å; L1861-W1917 HydrophobicContact CG-CH2 4.49Å; L1861-W1917 HydrophobicContact CG-CZ3 4.26Å; L1861-I1930 HydrophobicContact CD1-CD1 3.88Å; L1861-I1930 HydrophobicContact CD1-CG1 3.9Å; L1861-I1930 HydrophobicContact CD2-CD1 3.95Å; L1861-I1930 HydrophobicContact CD2-CG1 3.92Å; L1861-I1930 HydrophobicContact CD2-CG2 3.88Å; L1861-I1930 HydrophobicContact CG-CD1 3.97Å; L1861-I1930 HydrophobicContact CG-CG1 4.26Å |
| 1862 | L | 43.4 | Very low | 36.3 | Very low | 56.8 Ų | 56.8 | 92.4 Ų | 92.4 | 30% | 0.297 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 27.7 | -172.7 | -80.9 | 167.6 | 0 | 0 | 0 | 113.4 | N1859 H1860 V1865 S1866 P1867 L1870 Y1879 | N1859-L1862 PolarHBondContact O-N 3.32Å; N1859-L1862 VanDerWaalsContact O-N 3.14Å; H1860-L1862 PolarHBondContact O-N 3.38Å; L1862-V1865 CarbonylContact C-O 3.5Å; L1862-V1865 WeakPolarHBondContact CB-O 3.28Å; L1862-V1865 CarbonylContact O-C 3.34Å; L1862-V1865 VanDerWaalsContact O-CA 3.26Å; L1862-V1865 WeakPolarHBondContact O-CA 3.33Å; L1862-V1865 VanDerWaalsContact O-CB 3.31Å; L1862-V1865 WeakPolarHBondContact O-CB 3.43Å; L1862-V1865 PolarHBondContact O-N 3.16Å; L1862-V1865 VanDerWaalsContact O-O 3.07Å; L1862-S1866 PolarHBondContact O-N 3.28Å; L1862-P1867 HydrophobicContact CD1-CB 3.67Å; L1862-P1867 VanDerWaalsContact CD1-CB 3.47Å; L1862-P1867 HydrophobicContact CD1-CG 3.96Å; L1862-L1870 HydrophobicContact CD2-CD1 4.11Å; L1862-Y1879 HydrophobicContact CD1-CD2 4.43Å; L1862-Y1879 HydrophobicContact CD1-CE2 3.92Å |
| 1863 | W | 48 | Very low | 36.9 | Very low | 75.8 Ų | 75.8 | 90.9 Ų | 90.9 | 29% | 0.287 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 131.5 | 173.5 | -159.3 | 73.5 | 0 | 0 | 0 | 109.8 | H1491 L1493 D1585 L1588 Q1589 C1592 C1750 V1754 L1861 V1865 | H1491-W1863 HydrophobicContact CB-CE3 4.31Å; H1491-W1863 HydrophobicContact CB-CZ3 4.02Å; H1491-W1863 PolarHBondContact CE1-O 3.24Å; H1491-W1863 AromaticContact CG-CE3 3.92Å; H1491-W1863 AromaticContact ND1-CE3 3.67Å; H1491-W1863 PolarHBondContact ND1-O 3.29Å; H1491-W1863 VanDerWaalsContact ND1-O 3.14Å; L1493-W1863 HydrophobicContact CD1-CH2 4.39Å; D1585-W1863 PolarHBondContact OD1-NE1 3.13Å; L1588-W1863 HydrophobicContact CB-CH2 4.26Å; L1588-W1863 HydrophobicContact CB-CZ2 3.92Å; Q1589-W1863 HydrophobicContact CG-CZ2 4.28Å; C1592-W1863 HydrophobicContact CB-CH2 4.18Å; C1592-W1863 HydrophobicContact CB-CZ3 4.41Å; C1750-W1863 HydrophobicContact CB-CB 4.27Å; C1750-W1863 HydrophobicContact CB-CG 4.37Å; V1754-W1863 HydrophobicContact CB-CH2 4.11Å; V1754-W1863 HydrophobicContact CB-CZ3 4.21Å; V1754-W1863 HydrophobicContact CG1-CE3 4.39Å; V1754-W1863 HydrophobicContact CG1-CH2 3.75Å; V1754-W1863 VanDerWaalsContact CG1-CH2 3.49Å; V1754-W1863 HydrophobicContact CG1-CZ2 4.22Å; V1754-W1863 HydrophobicContact CG1-CZ3 3.89Å; V1754-W1863 HydrophobicContact CG2-CD2 3.78Å; V1754-W1863 HydrophobicContact CG2-CE3 3.67Å; V1754-W1863 VanDerWaalsContact CG2-CE3 3.49Å; V1754-W1863 HydrophobicContact CG2-CG 4.3Å; V1754-W1863 HydrophobicContact CG2-CH2 3.82Å; V1754-W1863 HydrophobicContact CG2-CZ2 4.2Å; V1754-W1863 HydrophobicContact CG2-CZ3 3.7Å; V1754-W1863 VanDerWaalsContact CG2-CZ3 3.43Å; L1861-W1863 PolarHBondContact O-N 3.08Å; W1863-V1865 PolarHBondContact O-N 2.97Å |
| 1864 | P | 47.2 | Very low | 37.5 | Very low | 38.4 Ų | 38.4 | 89.9 Ų | 89.9 | 25% | 0.249 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -84.7 | 43.5 | 9.1 | 33.1 | -33.8 | 0 | 0 | 0 | 114.1 | S1342 L1493 M1555 S1866 | S1342-P1864 VanDerWaalsContact CB-CG 3.42Å; L1493-P1864 HydrophobicContact CD2-CB 4.33Å; L1493-P1864 HydrophobicContact CD2-CG 3.8Å; M1555-P1864 HydrophobicContact CE-CB 3.48Å; M1555-P1864 VanDerWaalsContact CE-CB 3.44Å; M1555-P1864 HydrophobicContact CE-CG 3.91Å; P1864-S1866 PolarHBondContact O-N 3.16Å |
| 1865 | V | 44.2 | Very low | 38.2 | Very low | 51 Ų | 51 | 89.7 Ų | 89.7 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -89.9 | 111.6 | 178.7 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | A1556 L1862 W1863 P1867 F1869 L1870 | A1556-V1865 HydrophobicContact CB-CG1 4.1Å; A1556-V1865 HydrophobicContact CB-CG2 4.45Å; L1862-V1865 CarbonylContact C-O 3.5Å; L1862-V1865 WeakPolarHBondContact CB-O 3.28Å; L1862-V1865 CarbonylContact O-C 3.34Å; L1862-V1865 VanDerWaalsContact O-CA 3.26Å; L1862-V1865 WeakPolarHBondContact O-CA 3.33Å; L1862-V1865 VanDerWaalsContact O-CB 3.31Å; L1862-V1865 WeakPolarHBondContact O-CB 3.43Å; L1862-V1865 PolarHBondContact O-N 3.16Å; L1862-V1865 VanDerWaalsContact O-O 3.07Å; W1863-V1865 PolarHBondContact O-N 2.97Å; V1865-P1867 WeakPolarHBondContact O-CD 3.29Å; V1865-F1869 HydrophobicContact CG1-CB 4.17Å; V1865-L1870 HydrophobicContact CG1-CD1 4.19Å; V1865-L1870 HydrophobicContact CG1-CD2 4.39Å; V1865-L1870 HydrophobicContact CG1-CG 4Å |
| 1866 | S | 40.2 | Very low | 39.2 | Very low | 39.4 Ų | 39.4 | 88 Ų | 88 | 28% | 0.276 | 48% | 0.48 | S | S | . | . | trans | -90 | 131.8 | 167.7 | 43.4 | 0 | 0 | 0 | 0 | 109.5 | R1552 L1862 P1864 S1868 F1869 | R1552-S1866 PolarHBondContact NH2-OG 3.12Å; L1862-S1866 PolarHBondContact O-N 3.28Å; P1864-S1866 PolarHBondContact O-N 3.16Å; S1866-S1868 PolarHBondContact O-N 3.24Å; S1866-F1869 PolarHBondContact O-N 3.12Å; S1866-F1869 VanDerWaalsContact O-N 3.14Å; S1866-F1869 WeakPolarHBondContact OG-CD2 3.22Å | ||
| 1867 | P | 38.9 | Very low | 39.9 | Very low | 62.2 Ų | 62.2 | 87.4 Ų | 87.4 | 40% | 0.404 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.7 | -10 | 170.9 | 21 | -25.3 | 0 | 0 | 0 | 113 | L1862 V1865 F1869 L1870 L1871 L1882 | L1862-P1867 HydrophobicContact CD1-CB 3.67Å; L1862-P1867 VanDerWaalsContact CD1-CB 3.47Å; L1862-P1867 HydrophobicContact CD1-CG 3.96Å; V1865-P1867 WeakPolarHBondContact O-CD 3.29Å; P1867-F1869 VanDerWaalsContact C-N 3.32Å; P1867-F1869 PolarHBondContact O-N 3.09Å; P1867-F1869 VanDerWaalsContact O-N 3.13Å; P1867-L1870 PolarHBondContact O-N 2.96Å; P1867-L1871 HydrophobicContact CB-CD1 4.47Å; P1867-L1871 PolarHBondContact O-N 3.03Å; P1867-L1882 HydrophobicContact CB-CD1 3.74Å; P1867-L1882 HydrophobicContact CB-CD2 3.88Å; P1867-L1882 HydrophobicContact CB-CG 4.45Å |
| 1868 | S | 40.3 | Very low | 40.9 | Very low | 66.4 Ų | 66.4 | 85.6 Ų | 85.6 | 46% | 0.464 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.6 | -20.2 | -179.4 | -44.4 | 0 | 0 | 0 | 0 | 113.7 | S1866 L1870 L1871 L1872 | S1866-S1868 PolarHBondContact O-N 3.24Å; S1868-L1870 VanDerWaalsContact C-N 3.33Å; S1868-L1870 PolarHBondContact O-N 2.84Å; S1868-L1871 WeakPolarHBondContact O-CB 3.09Å; S1868-L1871 PolarHBondContact O-N 3.22Å; S1868-L1872 WeakPolarHBondContact O-CB 3.35Å; S1868-L1872 WeakPolarHBondContact O-CD1 3.33Å; S1868-L1872 PolarHBondContact O-N 3.21Å |
| 1869 | F | 41.2 | Very low | 41.7 | Very low | 77.6 Ų | 77.6 | 88.1 Ų | 88.1 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.7 | -5.1 | 178.2 | -91.5 | -84.3 | 0 | 0 | 0 | 114.8 | R1552 R1553 A1556 E1568 Q1571 V1865 S1866 P1867 | R1552-F1869 HydrophobicContact CB-CE2 4.21Å; R1552-F1869 HydrophobicContact CB-CZ 4.43Å; R1553-F1869 HydrophobicContact CB-CE1 4.1Å; R1553-F1869 HydrophobicContact CB-CZ 4.3Å; R1553-F1869 HydrophobicContact CG-CE1 4.14Å; A1556-F1869 HydrophobicContact CB-CB 3.68Å; A1556-F1869 HydrophobicContact CB-CD1 4.13Å; A1556-F1869 HydrophobicContact CB-CG 3.95Å; E1568-F1869 HydrophobicContact CB-CE1 4.27Å; E1568-F1869 HydrophobicContact CB-CZ 4.39Å; E1568-F1869 HydrophobicContact CG-CE1 3.86Å; E1568-F1869 HydrophobicContact CG-CZ 4.08Å; E1568-F1869 WeakPolarHBondContact OE1-CE1 3.44Å; Q1571-F1869 VanDerWaalsContact OE1-CE2 3.3Å; V1865-F1869 HydrophobicContact CG1-CB 4.17Å; S1866-F1869 PolarHBondContact O-N 3.12Å; S1866-F1869 VanDerWaalsContact O-N 3.14Å; S1866-F1869 WeakPolarHBondContact OG-CD2 3.22Å; P1867-F1869 VanDerWaalsContact C-N 3.32Å; P1867-F1869 PolarHBondContact O-N 3.09Å; P1867-F1869 VanDerWaalsContact O-N 3.13Å |
| 1870 | L | 41.9 | Very low | 42.6 | Very low | 70 Ų | 70 | 87.7 Ų | 87.7 | 37% | 0.366 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -104.6 | -1.3 | 161.2 | -72.1 | 174.8 | 0 | 0 | 0 | 111.7 | L1348 L1862 V1865 P1867 S1868 L1872 L1876 L1882 | L1348-L1870 HydrophobicContact CD1-CD1 4.11Å; L1348-L1870 HydrophobicContact CD2-CD1 3.49Å; L1348-L1870 VanDerWaalsContact CD2-CD1 3.49Å; L1348-L1870 HydrophobicContact CD2-CD2 3.96Å; L1348-L1870 HydrophobicContact CD2-CG 4.35Å; L1862-L1870 HydrophobicContact CD2-CD1 4.11Å; V1865-L1870 HydrophobicContact CG1-CD1 4.19Å; V1865-L1870 HydrophobicContact CG1-CD2 4.39Å; V1865-L1870 HydrophobicContact CG1-CG 4Å; P1867-L1870 PolarHBondContact O-N 2.96Å; S1868-L1870 VanDerWaalsContact C-N 3.33Å; S1868-L1870 PolarHBondContact O-N 2.84Å; L1870-L1872 PolarHBondContact O-N 3.5Å; L1870-L1876 VanDerWaalsContact O-CD1 3.23Å; L1870-L1876 WeakPolarHBondContact O-CD1 3.36Å; L1870-L1882 HydrophobicContact CB-CD1 4.49Å; L1870-L1882 HydrophobicContact CD1-CD1 4.37Å; L1870-L1882 HydrophobicContact CD1-CD2 4.17Å |
| 1871 | L | 40.7 | Very low | 43.5 | Very low | 101 Ų | 101 | 87.6 Ų | 87.6 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -87.2 | 19.7 | 172.4 | -112.3 | 156 | 0 | 0 | 0 | 111.5 | P1867 S1868 D1873 L1876 T1877 | P1867-L1871 HydrophobicContact CB-CD1 4.47Å; P1867-L1871 PolarHBondContact O-N 3.03Å; S1868-L1871 WeakPolarHBondContact O-CB 3.09Å; S1868-L1871 PolarHBondContact O-N 3.22Å; L1871-D1873 VanDerWaalsContact C-N 3.25Å; L1871-D1873 CarbonylContact O-C 3.42Å; L1871-D1873 PolarHBondContact O-N 3.27Å; L1871-L1876 WeakPolarHBondContact CD2-O 3.21Å; L1871-L1876 WeakPolarHBondContact CG-O 3.35Å; L1871-T1877 HydrophobicContact CD2-CG2 4.18Å |
| 1872 | L | 38.8 | Very low | 44.3 | Very low | 98.4 Ų | 98.4 | 85.3 Ų | 85.3 | 52% | 0.515 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -82.8 | 13.1 | 170 | -125.9 | 77.6 | 0 | 0 | 0 | 111.2 | E1568 S1868 L1870 N1874 | E1568-L1872 HydrophobicContact CG-CD2 4.22Å; S1868-L1872 WeakPolarHBondContact O-CB 3.35Å; S1868-L1872 WeakPolarHBondContact O-CD1 3.33Å; S1868-L1872 PolarHBondContact O-N 3.21Å; L1870-L1872 PolarHBondContact O-N 3.5Å; L1872-N1874 VanDerWaalsContact C-N 3.35Å; L1872-N1874 PolarHBondContact O-N 2.99Å; L1872-N1874 VanDerWaalsContact O-N 3.09Å |
| 1873 | D | 37.4 | Very low | 45.1 | Very low | 105.2 Ų | 105.2 | 85.2 Ų | 85.2 | 56% | 0.563 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -55.1 | 98.9 | 161.2 | -69.1 | -20 | 0 | 0 | 0 | 109.9 | K1356 L1871 E1875 L1876 | K1356-D1873 IonicContact NZ-OD2 2.72Å; K1356-D1873 PolarHBondContact NZ-OD2 2.83Å; L1871-D1873 VanDerWaalsContact C-N 3.25Å; L1871-D1873 CarbonylContact O-C 3.42Å; L1871-D1873 PolarHBondContact O-N 3.27Å; D1873-E1875 PolarHBondContact O-N 3.12Å; D1873-L1876 HydrophobicContact CB-CD1 4.44Å; D1873-L1876 PolarHBondContact O-N 2.82Å |
| 1874 | N | 37.2 | Very low | 45.7 | Very low | 155 Ų | 155 | 86.7 Ų | 86.7 | 83% | 0.829 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | 33.9 | 165 | -120.8 | -5.4 | 0 | 0 | 0 | 116.7 | L1872 L1876 | L1872-N1874 VanDerWaalsContact C-N 3.35Å; L1872-N1874 PolarHBondContact O-N 2.99Å; L1872-N1874 VanDerWaalsContact O-N 3.09Å; N1874-L1876 PolarHBondContact O-N 3.23Å |
| 1875 | E | 39.4 | Very low | 46.4 | Very low | 150.4 Ų | 150.4 | 88.6 Ų | 88.6 | 70% | 0.703 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 20.4 | -178.1 | -62.5 | -175.2 | 168.4 | 0 | 0 | 113.3 | K1356 D1873 T1877 | K1356-E1875 WeakPolarHBondContact CE-OE2 3.34Å; K1356-E1875 IonicContact NZ-OE1 3.06Å; K1356-E1875 PolarHBondContact NZ-OE1 3.33Å; K1356-E1875 IonicContact NZ-OE2 2.7Å; K1356-E1875 PolarHBondContact NZ-OE2 2.91Å; D1873-E1875 PolarHBondContact O-N 3.12Å; E1875-T1877 VanDerWaalsContact C-N 3.32Å; E1875-T1877 PolarHBondContact O-N 3.02Å |
| 1876 | L | 43.3 | Very low | 47.3 | Very low | 81.6 Ų | 81.6 | 87.6 Ų | 87.6 | 43% | 0.427 | 46% | 0.463 | S | S | . | . | trans | -100.7 | 70 | 179.5 | -90.8 | 126.7 | 0 | 0 | 0 | 111.9 | L1870 L1871 D1873 N1874 S1878 L1881 L1882 Y1885 | L1870-L1876 VanDerWaalsContact O-CD1 3.23Å; L1870-L1876 WeakPolarHBondContact O-CD1 3.36Å; L1871-L1876 WeakPolarHBondContact CD2-O 3.21Å; L1871-L1876 WeakPolarHBondContact CG-O 3.35Å; D1873-L1876 HydrophobicContact CB-CD1 4.44Å; D1873-L1876 PolarHBondContact O-N 2.82Å; N1874-L1876 PolarHBondContact O-N 3.23Å; L1876-S1878 VanDerWaalsContact C-N 3.32Å; L1876-S1878 PolarHBondContact O-N 3.08Å; L1876-L1881 HydrophobicContact CD2-CD2 4.28Å; L1876-L1882 HydrophobicContact CD1-CD2 4.39Å; L1876-L1882 HydrophobicContact CD2-CD2 3.94Å; L1876-L1882 HydrophobicContact CD2-CG 4.24Å; L1876-Y1885 HydrophobicContact CD2-CD2 4.39Å; L1876-Y1885 HydrophobicContact CD2-CE2 4.1Å | ||
| 1877 | T | 42.3 | Very low | 48.5 | Very low | 123.4 Ų | 123.4 | 87.2 Ų | 87.2 | 76% | 0.757 | 46% | 0.459 | S | S | * | . | trans | -82.2 | 41 | -174.9 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | L1871 E1875 | L1871-T1877 HydrophobicContact CD2-CG2 4.18Å; E1875-T1877 VanDerWaalsContact C-N 3.32Å; E1875-T1877 PolarHBondContact O-N 3.02Å | ||
| 1878 | S | 49.2 | Very low | 49.8 | Very low | 62.4 Ų | 62.4 | 87.3 Ų | 87.3 | 44% | 0.436 | 46% | 0.455 | S | S | . | . | trans | -133.9 | 124.6 | 175.4 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | L1876 D1880 L1881 | L1876-S1878 VanDerWaalsContact C-N 3.32Å; L1876-S1878 PolarHBondContact O-N 3.08Å; S1878-D1880 VanDerWaalsContact C-N 3.26Å; S1878-D1880 PolarHBondContact O-N 3.19Å; S1878-D1880 VanDerWaalsContact O-N 3.09Å; S1878-L1881 PolarHBondContact O-N 3.18Å | ||
| 1879 | Y | 51.3 | Low | 51 | Low | 127.2 Ų | 127.2 | 85.3 Ų | 85.3 | 50% | 0.499 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 176.6 | -142.4 | -92.4 | 0 | 0 | 0 | 113 | S1858 L1861 L1862 L1881 L1882 T1883 | S1858-Y1879 WeakPolarHBondContact CB-OH 3.4Å; S1858-Y1879 PolarHBondContact O-OH 3.38Å; S1858-Y1879 WeakPolarHBondContact OG-CE2 3.43Å; L1861-Y1879 WeakPolarHBondContact CB-OH 3.3Å; L1861-Y1879 HydrophobicContact CD1-CE1 4.37Å; L1861-Y1879 WeakPolarHBondContact CD1-OH 3Å; L1862-Y1879 HydrophobicContact CD1-CD2 4.43Å; L1862-Y1879 HydrophobicContact CD1-CE2 3.92Å; Y1879-L1881 VanDerWaalsContact C-N 3.26Å; Y1879-L1881 PolarHBondContact O-N 3.1Å; Y1879-L1881 VanDerWaalsContact O-N 3.15Å; Y1879-L1882 WeakPolarHBondContact O-CB 3.46Å; Y1879-L1882 PolarHBondContact O-N 3.14Å; Y1879-L1882 VanDerWaalsContact O-N 3.12Å; Y1879-T1883 HydrophobicContact CD1-CG2 4.16Å; Y1879-T1883 HydrophobicContact CE1-CG2 3.81Å; Y1879-T1883 PolarHBondContact O-N 2.91Å; Y1879-T1883 VanDerWaalsContact O-N 3.08Å; Y1879-T1883 PolarHBondContact O-OG1 3.2Å |
| 1880 | D | 52.2 | Low | 52.2 | Low | 113 Ų | 113 | 83.3 Ų | 83.3 | 60% | 0.604 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.3 | -30.3 | -178.8 | -58.7 | -32.8 | 0 | 0 | 0 | 113.1 | S1878 L1882 T1883 H1884 | S1878-D1880 VanDerWaalsContact C-N 3.26Å; S1878-D1880 PolarHBondContact O-N 3.19Å; S1878-D1880 VanDerWaalsContact O-N 3.09Å; D1880-L1882 VanDerWaalsContact C-N 3.32Å; D1880-L1882 PolarHBondContact O-N 3.16Å; D1880-T1883 VanDerWaalsContact C-OG1 3.28Å; D1880-T1883 VanDerWaalsContact CA-OG1 3.28Å; D1880-T1883 WeakPolarHBondContact CA-OG1 3.3Å; D1880-T1883 PolarHBondContact O-N 3.19Å; D1880-T1883 PolarHBondContact O-OG1 3.07Å; D1880-H1884 WeakPolarHBondContact O-CB 3.35Å; D1880-H1884 PolarHBondContact O-CD2 3.22Å; D1880-H1884 PolarHBondContact O-N 3.16Å; D1880-H1884 VanDerWaalsContact O-N 3.12Å |
| 1881 | L | 56.8 | Low | 53.4 | Low | 94.4 Ų | 94.4 | 82.4 Ų | 82.4 | 49% | 0.494 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.5 | -35.7 | 178.6 | -157.7 | 75.4 | 0 | 0 | 0 | 111.8 | L1876 S1878 Y1879 H1884 Y1885 | L1876-L1881 HydrophobicContact CD2-CD2 4.28Å; S1878-L1881 PolarHBondContact O-N 3.18Å; Y1879-L1881 VanDerWaalsContact C-N 3.26Å; Y1879-L1881 PolarHBondContact O-N 3.1Å; Y1879-L1881 VanDerWaalsContact O-N 3.15Å; L1881-H1884 PolarHBondContact O-N 3.34Å; L1881-Y1885 HydrophobicContact CB-CE2 4.47Å; L1881-Y1885 HydrophobicContact CD1-CE2 4.45Å; L1881-Y1885 HydrophobicContact CD2-CE2 3.82Å; L1881-Y1885 HydrophobicContact CG-CD2 4.29Å; L1881-Y1885 HydrophobicContact CG-CE2 3.65Å; L1881-Y1885 WeakPolarHBondContact O-CB 3.35Å; L1881-Y1885 VanDerWaalsContact O-CD2 3.28Å; L1881-Y1885 WeakPolarHBondContact O-CD2 3.41Å; L1881-Y1885 PolarHBondContact O-N 3.36Å; L1881-Y1885 VanDerWaalsContact O-N 3.16Å |
| 1882 | L | 57 | Low | 54.7 | Low | 40.8 Ų | 40.8 | 81 Ų | 81 | 21% | 0.214 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.5 | -39 | 176.6 | -96.6 | 160.3 | 0 | 0 | 0 | 111.6 | L1348 P1867 L1870 L1876 Y1879 D1880 H1884 Y1885 M1886 | L1348-L1882 HydrophobicContact CD2-CD2 3.79Å; P1867-L1882 HydrophobicContact CB-CD1 3.74Å; P1867-L1882 HydrophobicContact CB-CD2 3.88Å; P1867-L1882 HydrophobicContact CB-CG 4.45Å; L1870-L1882 HydrophobicContact CB-CD1 4.49Å; L1870-L1882 HydrophobicContact CD1-CD1 4.37Å; L1870-L1882 HydrophobicContact CD1-CD2 4.17Å; L1876-L1882 HydrophobicContact CD1-CD2 4.39Å; L1876-L1882 HydrophobicContact CD2-CD2 3.94Å; L1876-L1882 HydrophobicContact CD2-CG 4.24Å; Y1879-L1882 WeakPolarHBondContact O-CB 3.46Å; Y1879-L1882 PolarHBondContact O-N 3.14Å; Y1879-L1882 VanDerWaalsContact O-N 3.12Å; D1880-L1882 VanDerWaalsContact C-N 3.32Å; D1880-L1882 PolarHBondContact O-N 3.16Å; L1882-H1884 VanDerWaalsContact C-N 3.33Å; L1882-Y1885 PolarHBondContact O-N 3.05Å; L1882-M1886 WeakPolarHBondContact O-CB 3.38Å; L1882-M1886 VanDerWaalsContact O-CG 3.32Å; L1882-M1886 WeakPolarHBondContact O-CG 3.34Å; L1882-M1886 PolarHBondContact O-N 3.17Å; L1882-M1886 VanDerWaalsContact O-N 3.13Å |
| 1883 | T | 59 | Low | 56 | Low | 54.6 Ų | 54.6 | 76.8 Ų | 76.8 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.5 | 31.6 | 0 | 0 | 0 | 0 | 111.7 | L1861 Y1879 D1880 Y1885 M1886 T1887 | L1861-T1883 HydrophobicContact CD1-CG2 4Å; Y1879-T1883 HydrophobicContact CD1-CG2 4.16Å; Y1879-T1883 HydrophobicContact CE1-CG2 3.81Å; Y1879-T1883 PolarHBondContact O-N 2.91Å; Y1879-T1883 VanDerWaalsContact O-N 3.08Å; Y1879-T1883 PolarHBondContact O-OG1 3.2Å; D1880-T1883 VanDerWaalsContact C-OG1 3.28Å; D1880-T1883 VanDerWaalsContact CA-OG1 3.28Å; D1880-T1883 WeakPolarHBondContact CA-OG1 3.3Å; D1880-T1883 PolarHBondContact O-N 3.19Å; D1880-T1883 PolarHBondContact O-OG1 3.07Å; T1883-Y1885 PolarHBondContact O-N 3.35Å; T1883-M1886 PolarHBondContact O-N 3.32Å; T1883-T1887 WeakPolarHBondContact O-CB 3.46Å; T1883-T1887 WeakPolarHBondContact O-CG2 3.35Å; T1883-T1887 PolarHBondContact O-N 3.13Å; T1883-T1887 PolarHBondContact O-OG1 3.13Å |
| 1884 | H | 60.6 | Low | 57.4 | Low | 109.2 Ų | 109.2 | 72.6 Ų | 72.6 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 176.3 | -148 | -59.5 | 0 | 0 | 0 | 112.1 | D1880 L1881 L1882 M1886 T1887 D1888 | D1880-H1884 WeakPolarHBondContact O-CB 3.35Å; D1880-H1884 PolarHBondContact O-CD2 3.22Å; D1880-H1884 PolarHBondContact O-N 3.16Å; D1880-H1884 VanDerWaalsContact O-N 3.12Å; L1881-H1884 PolarHBondContact O-N 3.34Å; L1882-H1884 VanDerWaalsContact C-N 3.33Å; H1884-M1886 VanDerWaalsContact C-N 3.28Å; H1884-M1886 PolarHBondContact O-N 2.99Å; H1884-T1887 VanDerWaalsContact CA-OG1 3.3Å; H1884-T1887 WeakPolarHBondContact CA-OG1 3.28Å; H1884-T1887 PolarHBondContact O-N 3.25Å; H1884-T1887 VanDerWaalsContact O-N 3.09Å; H1884-T1887 PolarHBondContact O-OG1 3.08Å; H1884-D1888 IonicContact CE1-OD1 3.28Å; H1884-D1888 PolarHBondContact CE1-OD1 3.47Å; H1884-D1888 IonicContact CE1-OD2 3.65Å; H1884-D1888 PolarHBondContact CE1-OD2 3.12Å; H1884-D1888 IonicContact CG-OD2 3.5Å; H1884-D1888 IonicContact ND1-OD1 2.72Å; H1884-D1888 IonicContact ND1-OD2 2.99Å; H1884-D1888 PolarHBondContact ND1-OD2 3.18Å; H1884-D1888 VanDerWaalsContact O-CG 3.3Å; H1884-D1888 PolarHBondContact O-N 3.08Å; H1884-D1888 VanDerWaalsContact O-OD2 3.1Å |
| 1885 | Y | 63.5 | Low | 58.8 | Low | 77.8 Ų | 77.8 | 71.1 Ų | 71.1 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 177.5 | -105.2 | -65.8 | 0 | 0 | 0 | 112.6 | Y1351 L1876 L1881 L1882 T1883 D1888 I1889 | Y1351-Y1885 HydrophobicContact CD1-CD1 4.2Å; Y1351-Y1885 HydrophobicContact CD1-CG 4.43Å; Y1351-Y1885 AromaticContact CE1-CD1 3.72Å; Y1351-Y1885 HydrophobicContact CE1-CD1 3.72Å; Y1351-Y1885 HydrophobicContact CE1-CE1 4.28Å; Y1351-Y1885 HydrophobicContact CE1-CG 4.39Å; L1876-Y1885 HydrophobicContact CD2-CD2 4.39Å; L1876-Y1885 HydrophobicContact CD2-CE2 4.1Å; L1881-Y1885 HydrophobicContact CB-CE2 4.47Å; L1881-Y1885 HydrophobicContact CD1-CE2 4.45Å; L1881-Y1885 HydrophobicContact CD2-CE2 3.82Å; L1881-Y1885 HydrophobicContact CG-CD2 4.29Å; L1881-Y1885 HydrophobicContact CG-CE2 3.65Å; L1881-Y1885 WeakPolarHBondContact O-CB 3.35Å; L1881-Y1885 VanDerWaalsContact O-CD2 3.28Å; L1881-Y1885 WeakPolarHBondContact O-CD2 3.41Å; L1881-Y1885 PolarHBondContact O-N 3.36Å; L1881-Y1885 VanDerWaalsContact O-N 3.16Å; L1882-Y1885 PolarHBondContact O-N 3.05Å; T1883-Y1885 PolarHBondContact O-N 3.35Å; Y1885-D1888 PolarHBondContact O-N 3.17Å; Y1885-I1889 HydrophobicContact CD1-CD1 3.82Å; Y1885-I1889 HydrophobicContact CE1-CD1 3.38Å; Y1885-I1889 VanDerWaalsContact CE1-CD1 3.46Å; Y1885-I1889 HydrophobicContact CE1-CG1 4.43Å; Y1885-I1889 HydrophobicContact CE2-CD1 4.36Å; Y1885-I1889 HydrophobicContact CG-CD1 4.43Å; Y1885-I1889 WeakPolarHBondContact O-CB 3.28Å; Y1885-I1889 WeakPolarHBondContact O-CD1 3.33Å; Y1885-I1889 VanDerWaalsContact O-CG1 3.23Å; Y1885-I1889 WeakPolarHBondContact O-CG1 3.26Å; Y1885-I1889 PolarHBondContact O-N 3.12Å; Y1885-I1889 VanDerWaalsContact O-N 3.11Å |
| 1886 | M | 63.2 | Low | 60.1 | Low | 30.4 Ų | 30.4 | 68.4 Ų | 68.4 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65 | -43 | 174.1 | -75.4 | -75.9 | -16.7 | 0 | 0 | 112.2 | K1344 L1348 M1485 D1490 L1882 T1883 H1884 D1888 I1889 W1890 | K1344-M1886 HydrophobicContact CD-CE 4.41Å; K1344-M1886 HydrophobicContact CD-SD 4.43Å; K1344-M1886 WeakPolarHBondContact CE-SD 3.34Å; K1344-M1886 HydrophobicContact CG-CE 4.48Å; K1344-M1886 HydrophobicContact CG-SD 4.29Å; L1348-M1886 HydrophobicContact CD1-SD 4.05Å; L1348-M1886 HydrophobicContact CD2-CG 4.18Å; L1348-M1886 HydrophobicContact CD2-SD 3.75Å; L1348-M1886 HydrophobicContact CG-SD 3.8Å; M1485-M1886 HydrophobicContact CE-CE 3.79Å; D1490-M1886 VanDerWaalsContact OD2-CE 3.29Å; D1490-M1886 WeakPolarHBondContact OD2-CE 3.3Å; L1882-M1886 WeakPolarHBondContact O-CB 3.38Å; L1882-M1886 VanDerWaalsContact O-CG 3.32Å; L1882-M1886 WeakPolarHBondContact O-CG 3.34Å; L1882-M1886 PolarHBondContact O-N 3.17Å; L1882-M1886 VanDerWaalsContact O-N 3.13Å; T1883-M1886 PolarHBondContact O-N 3.32Å; H1884-M1886 VanDerWaalsContact C-N 3.28Å; H1884-M1886 PolarHBondContact O-N 2.99Å; M1886-D1888 VanDerWaalsContact C-N 3.31Å; M1886-D1888 PolarHBondContact O-N 3.04Å; M1886-I1889 HydrophobicContact CE-CD1 3.79Å; M1886-I1889 PolarHBondContact O-N 3.08Å; M1886-W1890 HydrophobicContact CB-CE3 4.43Å; M1886-W1890 HydrophobicContact CB-CH2 4.36Å; M1886-W1890 HydrophobicContact CB-CZ3 4.33Å; M1886-W1890 HydrophobicContact CE-CD2 4.13Å; M1886-W1890 VanDerWaalsContact CE-CE2 3.43Å; M1886-W1890 HydrophobicContact CE-CH2 4.05Å; M1886-W1890 HydrophobicContact CE-CZ2 3.43Å; M1886-W1890 VanDerWaalsContact CE-CZ2 3.43Å; M1886-W1890 HydrophobicContact CE-CZ3 4.2Å; M1886-W1890 VanDerWaalsContact CE-NE1 3.28Å; M1886-W1890 WeakPolarHBondContact O-CB 3.28Å; M1886-W1890 VanDerWaalsContact O-CG 3.27Å; M1886-W1890 PolarHBondContact O-N 3.29Å |
| 1887 | T | 64.2 | Low | 61.1 | Low | 31 Ų | 31 | 65 Ų | 65 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 176.7 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | T1883 H1884 W1890 S1891 L1915 | T1883-T1887 WeakPolarHBondContact O-CB 3.46Å; T1883-T1887 WeakPolarHBondContact O-CG2 3.35Å; T1883-T1887 PolarHBondContact O-N 3.13Å; T1883-T1887 PolarHBondContact O-OG1 3.13Å; H1884-T1887 VanDerWaalsContact CA-OG1 3.3Å; H1884-T1887 WeakPolarHBondContact CA-OG1 3.28Å; H1884-T1887 PolarHBondContact O-N 3.25Å; H1884-T1887 VanDerWaalsContact O-N 3.09Å; H1884-T1887 PolarHBondContact O-OG1 3.08Å; T1887-W1890 HydrophobicContact CG2-CE3 4.22Å; T1887-W1890 HydrophobicContact CG2-CZ3 4.25Å; T1887-W1890 PolarHBondContact O-N 2.93Å; T1887-S1891 VanDerWaalsContact O-CB 3.29Å; T1887-S1891 WeakPolarHBondContact O-CB 3.32Å; T1887-S1891 PolarHBondContact O-N 2.98Å; T1887-L1915 HydrophobicContact CG2-CD2 3.79Å; T1887-L1915 VanDerWaalsContact CG2-CD2 3.45Å; T1887-L1915 HydrophobicContact CG2-CG 3.83Å |
| 1888 | D | 65.4 | Low | 62.3 | Low | 63.2 Ų | 63.2 | 60.2 Ų | 60.2 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 174.5 | -69.1 | -29.4 | 0 | 0 | 0 | 111.6 | Y1351 H1884 Y1885 M1886 W1890 S1891 I1892 | Y1351-D1888 WeakPolarHBondContact OH-CB 3.4Å; H1884-D1888 IonicContact CE1-OD1 3.28Å; H1884-D1888 PolarHBondContact CE1-OD1 3.47Å; H1884-D1888 IonicContact CE1-OD2 3.65Å; H1884-D1888 PolarHBondContact CE1-OD2 3.12Å; H1884-D1888 IonicContact CG-OD2 3.5Å; H1884-D1888 IonicContact ND1-OD1 2.72Å; H1884-D1888 IonicContact ND1-OD2 2.99Å; H1884-D1888 PolarHBondContact ND1-OD2 3.18Å; H1884-D1888 VanDerWaalsContact O-CG 3.3Å; H1884-D1888 PolarHBondContact O-N 3.08Å; H1884-D1888 VanDerWaalsContact O-OD2 3.1Å; Y1885-D1888 PolarHBondContact O-N 3.17Å; M1886-D1888 VanDerWaalsContact C-N 3.31Å; M1886-D1888 PolarHBondContact O-N 3.04Å; D1888-W1890 VanDerWaalsContact C-N 3.33Å; D1888-W1890 PolarHBondContact O-N 3.21Å; D1888-S1891 PolarHBondContact O-N 2.97Å; D1888-I1892 WeakPolarHBondContact O-CB 3.24Å; D1888-I1892 WeakPolarHBondContact O-CD1 3.3Å; D1888-I1892 VanDerWaalsContact O-CG1 3.24Å; D1888-I1892 WeakPolarHBondContact O-CG1 3.22Å; D1888-I1892 PolarHBondContact O-N 3.14Å |
| 1889 | I | 66.1 | Low | 63 | Low | 25.2 Ų | 25.2 | 62.9 Ų | 62.9 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.2 | -71.1 | 165.3 | 0 | 0 | 0 | 110.9 | V1347 L1348 Y1351 M1485 Y1885 M1886 I1892 A1893 | V1347-I1889 HydrophobicContact CG1-CD1 4.21Å; V1347-I1889 HydrophobicContact CG1-CG1 4.38Å; V1347-I1889 HydrophobicContact CG1-CG2 3.67Å; L1348-I1889 HydrophobicContact CD1-CD1 3.9Å; L1348-I1889 HydrophobicContact CD2-CD1 3.74Å; L1348-I1889 HydrophobicContact CG-CD1 4.21Å; Y1351-I1889 HydrophobicContact CD1-CD1 4.29Å; Y1351-I1889 HydrophobicContact CD1-CG1 4.34Å; Y1351-I1889 HydrophobicContact CD2-CD1 4.34Å; Y1351-I1889 HydrophobicContact CD2-CG1 3.76Å; Y1351-I1889 HydrophobicContact CE2-CG1 4.16Å; Y1351-I1889 HydrophobicContact CG-CD1 4.07Å; Y1351-I1889 HydrophobicContact CG-CG1 4Å; M1485-I1889 HydrophobicContact CB-CG2 4.44Å; Y1885-I1889 HydrophobicContact CD1-CD1 3.82Å; Y1885-I1889 HydrophobicContact CE1-CD1 3.38Å; Y1885-I1889 VanDerWaalsContact CE1-CD1 3.46Å; Y1885-I1889 HydrophobicContact CE1-CG1 4.43Å; Y1885-I1889 HydrophobicContact CE2-CD1 4.36Å; Y1885-I1889 HydrophobicContact CG-CD1 4.43Å; Y1885-I1889 WeakPolarHBondContact O-CB 3.28Å; Y1885-I1889 WeakPolarHBondContact O-CD1 3.33Å; Y1885-I1889 VanDerWaalsContact O-CG1 3.23Å; Y1885-I1889 WeakPolarHBondContact O-CG1 3.26Å; Y1885-I1889 PolarHBondContact O-N 3.12Å; Y1885-I1889 VanDerWaalsContact O-N 3.11Å; M1886-I1889 HydrophobicContact CE-CD1 3.79Å; M1886-I1889 PolarHBondContact O-N 3.08Å; I1889-I1892 PolarHBondContact O-N 3.19Å; I1889-A1893 WeakPolarHBondContact O-CB 3.38Å; I1889-A1893 PolarHBondContact O-N 3.15Å |
| 1890 | W | 66.8 | Low | 63.6 | Low | 34.6 Ų | 34.6 | 58.2 Ų | 58.2 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 177.4 | -71.5 | -18.8 | 0 | 0 | 0 | 112 | P1487 D1490 M1886 T1887 D1888 I1892 A1893 C1894 C1911 T1914 | P1487-W1890 HydrophobicContact CB-CD2 4.42Å; P1487-W1890 HydrophobicContact CB-CZ2 4.36Å; P1487-W1890 HydrophobicContact CG-CB 4.17Å; P1487-W1890 HydrophobicContact CG-CD2 3.86Å; P1487-W1890 HydrophobicContact CG-CE3 4.43Å; P1487-W1890 HydrophobicContact CG-CG 3.69Å; D1490-W1890 PolarHBondContact OD1-NE1 3.1Å; D1490-W1890 VanDerWaalsContact OD1-NE1 3.1Å; D1490-W1890 WeakPolarHBondContact OD2-CZ2 3.25Å; M1886-W1890 HydrophobicContact CB-CE3 4.43Å; M1886-W1890 HydrophobicContact CB-CH2 4.36Å; M1886-W1890 HydrophobicContact CB-CZ3 4.33Å; M1886-W1890 HydrophobicContact CE-CD2 4.13Å; M1886-W1890 VanDerWaalsContact CE-CE2 3.43Å; M1886-W1890 HydrophobicContact CE-CH2 4.05Å; M1886-W1890 HydrophobicContact CE-CZ2 3.43Å; M1886-W1890 VanDerWaalsContact CE-CZ2 3.43Å; M1886-W1890 HydrophobicContact CE-CZ3 4.2Å; M1886-W1890 VanDerWaalsContact CE-NE1 3.28Å; M1886-W1890 WeakPolarHBondContact O-CB 3.28Å; M1886-W1890 VanDerWaalsContact O-CG 3.27Å; M1886-W1890 PolarHBondContact O-N 3.29Å; T1887-W1890 HydrophobicContact CG2-CE3 4.22Å; T1887-W1890 HydrophobicContact CG2-CZ3 4.25Å; T1887-W1890 PolarHBondContact O-N 2.93Å; D1888-W1890 VanDerWaalsContact C-N 3.33Å; D1888-W1890 PolarHBondContact O-N 3.21Å; W1890-I1892 VanDerWaalsContact C-N 3.31Å; W1890-I1892 PolarHBondContact O-N 3.13Å; W1890-A1893 HydrophobicContact CE3-CB 4.49Å; W1890-A1893 CarbonylContact O-C 3.47Å; W1890-A1893 WeakPolarHBondContact O-CA 3.37Å; W1890-A1893 WeakPolarHBondContact O-CB 3.28Å; W1890-A1893 PolarHBondContact O-N 3.07Å; W1890-A1893 VanDerWaalsContact O-N 3.12Å; W1890-C1894 VanDerWaalsContact O-CB 3.32Å; W1890-C1894 WeakPolarHBondContact O-CB 3.49Å; W1890-C1894 PolarHBondContact O-N 3.06Å; W1890-C1894 PolarHBondContact O-SG 3.21Å; W1890-C1911 HydrophobicContact CH2-CB 4.22Å; W1890-C1911 HydrophobicContact CZ3-CB 3.92Å; W1890-T1914 HydrophobicContact CE3-CG2 4.47Å; W1890-T1914 HydrophobicContact CH2-CG2 4.13Å; W1890-T1914 VanDerWaalsContact CH2-OG1 3.28Å; W1890-T1914 WeakPolarHBondContact CH2-OG1 3.44Å; W1890-T1914 HydrophobicContact CZ2-CG2 4.45Å; W1890-T1914 HydrophobicContact CZ3-CG2 4.08Å; W1890-T1914 WeakPolarHBondContact CZ3-OG1 3.3Å |
| 1891 | S | 67 | Low | 64.2 | Low | 52.4 Ų | 52.4 | 53.1 Ų | 53.1 | 37% | 0.366 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 174 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | T1887 D1888 A1893 C1894 N1895 | T1887-S1891 VanDerWaalsContact O-CB 3.29Å; T1887-S1891 WeakPolarHBondContact O-CB 3.32Å; T1887-S1891 PolarHBondContact O-N 2.98Å; D1888-S1891 PolarHBondContact O-N 2.97Å; S1891-A1893 VanDerWaalsContact C-N 3.29Å; S1891-A1893 PolarHBondContact O-N 3.29Å; S1891-C1894 PolarHBondContact O-N 3.26Å; S1891-N1895 VanDerWaalsContact O-CB 3.27Å; S1891-N1895 WeakPolarHBondContact O-CB 3.35Å; S1891-N1895 PolarHBondContact O-N 2.85Å; S1891-N1895 PolarHBondContact O-ND2 3.21Å; S1891-N1895 VanDerWaalsContact O-ND2 3.14Å; S1891-N1895 PolarHBondContact OG-ND2 3.18Å |
| 1892 | I | 68.5 | Low | 64.5 | Low | 71.6 Ų | 71.6 | 50.9 Ų | 50.9 | 37% | 0.367 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 175.3 | -67.6 | 163.7 | 0 | 0 | 0 | 111.5 | Y1351 D1888 I1889 W1890 K1896 | Y1351-I1892 HydrophobicContact CE2-CD1 3.97Å; D1888-I1892 WeakPolarHBondContact O-CB 3.24Å; D1888-I1892 WeakPolarHBondContact O-CD1 3.3Å; D1888-I1892 VanDerWaalsContact O-CG1 3.24Å; D1888-I1892 WeakPolarHBondContact O-CG1 3.22Å; D1888-I1892 PolarHBondContact O-N 3.14Å; I1889-I1892 PolarHBondContact O-N 3.19Å; W1890-I1892 VanDerWaalsContact C-N 3.31Å; W1890-I1892 PolarHBondContact O-N 3.13Å; I1892-K1896 HydrophobicContact CG2-CD 4.31Å; I1892-K1896 VanDerWaalsContact CG2-NZ 3.25Å; I1892-K1896 WeakPolarHBondContact O-CB 3.28Å; I1892-K1896 VanDerWaalsContact O-CD 3.31Å; I1892-K1896 WeakPolarHBondContact O-CD 3.47Å; I1892-K1896 VanDerWaalsContact O-CG 3.27Å; I1892-K1896 WeakPolarHBondContact O-CG 3.39Å; I1892-K1896 PolarHBondContact O-N 3.08Å; I1892-K1896 VanDerWaalsContact O-N 3.14Å |
| 1893 | A | 65.8 | Low | 64.6 | Low | 8.4 Ų | 8.4 | 54.1 Ų | 54.1 | 7% | 0.069 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.9 | -46.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1485 L1486 I1889 W1890 S1891 N1895 K1896 L1897 | M1485-A1893 WeakPolarHBondContact O-CB 3.44Å; L1486-A1893 HydrophobicContact CD2-CB 3.79Å; L1486-A1893 HydrophobicContact CG-CB 4.21Å; I1889-A1893 WeakPolarHBondContact O-CB 3.38Å; I1889-A1893 PolarHBondContact O-N 3.15Å; W1890-A1893 HydrophobicContact CE3-CB 4.49Å; W1890-A1893 CarbonylContact O-C 3.47Å; W1890-A1893 WeakPolarHBondContact O-CA 3.37Å; W1890-A1893 WeakPolarHBondContact O-CB 3.28Å; W1890-A1893 PolarHBondContact O-N 3.07Å; W1890-A1893 VanDerWaalsContact O-N 3.12Å; S1891-A1893 VanDerWaalsContact C-N 3.29Å; S1891-A1893 PolarHBondContact O-N 3.29Å; A1893-N1895 VanDerWaalsContact C-N 3.3Å; A1893-N1895 PolarHBondContact O-N 3.14Å; A1893-K1896 PolarHBondContact O-N 2.94Å; A1893-K1896 VanDerWaalsContact O-N 3.14Å; A1893-L1897 PolarHBondContact O-N 3.02Å |
| 1894 | C | 65.8 | Low | 65 | Low | 18.4 Ų | 18.4 | 52.2 Ų | 52.2 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 177.6 | -51.2 | 0 | 0 | 0 | 0 | 110.4 | W1890 S1891 K1896 L1897 N1902 C1911 | W1890-C1894 VanDerWaalsContact O-CB 3.32Å; W1890-C1894 WeakPolarHBondContact O-CB 3.49Å; W1890-C1894 PolarHBondContact O-N 3.06Å; W1890-C1894 PolarHBondContact O-SG 3.21Å; S1891-C1894 PolarHBondContact O-N 3.26Å; C1894-K1896 VanDerWaalsContact C-N 3.3Å; C1894-K1896 PolarHBondContact O-N 3.16Å; C1894-K1896 VanDerWaalsContact O-N 3.13Å; C1894-L1897 WeakPolarHBondContact O-CB 3.34Å; C1894-L1897 PolarHBondContact O-N 2.97Å; C1894-L1897 VanDerWaalsContact O-N 3.13Å; C1894-N1902 PolarHBondContact O-ND2 2.96Å; C1894-N1902 PolarHBondContact O-OD1 3.41Å; C1894-N1902 VanDerWaalsContact O-OD1 3.05Å; C1894-C1911 HydrophobicContact CB-CB 4.33Å; C1894-C1911 WeakPolarHBondContact CB-SG 3.34Å; C1894-C1911 WeakPolarHBondContact SG-CB 3.38Å; C1894-C1911 CovalentContact SG-SG 2.07Å; C1894-C1911 PolarHBondContact SG-SG 3.04Å |
| 1895 | N | 67.4 | Low | 65.2 | Low | 122.6 Ų | 122.6 | 49.7 Ų | 49.7 | 66% | 0.656 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -69.9 | -16.1 | 174.5 | -70 | -26.9 | 0 | 0 | 0 | 114.4 | S1891 A1893 | S1891-N1895 VanDerWaalsContact O-CB 3.27Å; S1891-N1895 WeakPolarHBondContact O-CB 3.35Å; S1891-N1895 PolarHBondContact O-N 2.85Å; S1891-N1895 PolarHBondContact O-ND2 3.21Å; S1891-N1895 VanDerWaalsContact O-ND2 3.14Å; S1891-N1895 PolarHBondContact OG-ND2 3.18Å; A1893-N1895 VanDerWaalsContact C-N 3.3Å; A1893-N1895 PolarHBondContact O-N 3.14Å |
| 1896 | K | 66.3 | Low | 65.5 | Low | 95 Ų | 95 | 46.2 Ų | 46.2 | 41% | 0.413 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -6.3 | 174.8 | -75.7 | 175.5 | -178.8 | 173.9 | 0 | 113.5 | R1481 S1482 P1788 I1892 A1893 C1894 | R1481-K1896 PolarHBondContact O-NZ 3.22Å; S1482-K1896 VanDerWaalsContact C-NZ 3.31Å; S1482-K1896 VanDerWaalsContact CA-NZ 3.26Å; S1482-K1896 PolarHBondContact O-NZ 3.19Å; P1788-K1896 HydrophobicContact CG-CB 4.19Å; I1892-K1896 HydrophobicContact CG2-CD 4.31Å; I1892-K1896 VanDerWaalsContact CG2-NZ 3.25Å; I1892-K1896 WeakPolarHBondContact O-CB 3.28Å; I1892-K1896 VanDerWaalsContact O-CD 3.31Å; I1892-K1896 WeakPolarHBondContact O-CD 3.47Å; I1892-K1896 VanDerWaalsContact O-CG 3.27Å; I1892-K1896 WeakPolarHBondContact O-CG 3.39Å; I1892-K1896 PolarHBondContact O-N 3.08Å; I1892-K1896 VanDerWaalsContact O-N 3.14Å; A1893-K1896 PolarHBondContact O-N 2.94Å; A1893-K1896 VanDerWaalsContact O-N 3.14Å; C1894-K1896 VanDerWaalsContact C-N 3.3Å; C1894-K1896 PolarHBondContact O-N 3.16Å; C1894-K1896 VanDerWaalsContact O-N 3.13Å |
| 1897 | L | 65.6 | Low | 65.8 | Low | 10.4 Ų | 10.4 | 45.4 Ų | 45.4 | 5% | 0.054 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -71.6 | 137.9 | 173.7 | -75.4 | 167.9 | 0 | 0 | 0 | 110.3 | L1486 P1788 L1791 A1893 C1894 N1899 L1901 N1902 F1907 | L1486-L1897 HydrophobicContact CD1-CD1 4.48Å; L1486-L1897 HydrophobicContact CD1-CD2 4.09Å; L1486-L1897 HydrophobicContact CD2-CD1 3.79Å; L1486-L1897 HydrophobicContact CD2-CD2 4.32Å; L1486-L1897 HydrophobicContact CD2-CG 4.15Å; P1788-L1897 HydrophobicContact CG-CD2 3.86Å; P1788-L1897 HydrophobicContact CG-CG 4.31Å; L1791-L1897 HydrophobicContact CD1-CD2 3.95Å; A1893-L1897 PolarHBondContact O-N 3.02Å; C1894-L1897 WeakPolarHBondContact O-CB 3.34Å; C1894-L1897 PolarHBondContact O-N 2.97Å; C1894-L1897 VanDerWaalsContact O-N 3.13Å; L1897-N1899 PolarHBondContact O-N 3.23Å; L1897-L1901 HydrophobicContact CB-CB 4.26Å; L1897-L1901 HydrophobicContact CD1-CB 4.49Å; L1897-L1901 HydrophobicContact CD2-CB 4.04Å; L1897-L1901 HydrophobicContact CD2-CD1 4.04Å; L1897-L1901 HydrophobicContact CG-CB 4.49Å; L1897-N1902 PolarHBondContact O-ND2 3.02Å; L1897-F1907 HydrophobicContact CD1-CB 3.8Å; L1897-F1907 HydrophobicContact CD1-CD1 4.15Å; L1897-F1907 HydrophobicContact CD1-CD2 4.42Å; L1897-F1907 HydrophobicContact CD1-CE1 3.47Å; L1897-F1907 VanDerWaalsContact CD1-CE1 3.47Å; L1897-F1907 HydrophobicContact CD1-CG 3.91Å; L1897-F1907 HydrophobicContact CD1-CZ 4.36Å; L1897-F1907 HydrophobicContact CD2-CE1 3.8Å; L1897-F1907 HydrophobicContact CD2-CZ 3.91Å; L1897-F1907 HydrophobicContact CG-CE1 4.32Å |
| 1898 | P | 67 | Low | 65.7 | Low | 22.2 Ų | 22.2 | 51.2 Ų | 51.2 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | trans | -50.6 | 141.1 | 165.3 | -26.2 | 33.1 | 0 | 0 | 0 | 111.2 | Y1778 L1787 A1900 L1901 N1902 | Y1778-P1898 HydrophobicContact CE1-CB 4.35Å; Y1778-P1898 HydrophobicContact CE1-CG 3.81Å; L1787-P1898 HydrophobicContact CD2-CG 4.09Å; P1898-A1900 PolarHBondContact O-N 3.07Å; P1898-L1901 HydrophobicContact CG-CD1 4.39Å; P1898-L1901 WeakPolarHBondContact O-CA 3.44Å; P1898-L1901 PolarHBondContact O-N 3.04Å; P1898-N1902 PolarHBondContact O-N 3.29Å; P1898-N1902 VanDerWaalsContact O-N 3.12Å | ||
| 1899 | N | 64.2 | Low | 65.3 | Low | 118.4 Ų | 118.4 | 49.5 Ų | 49.5 | 63% | 0.633 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -52.8 | -32.6 | -177 | -70.2 | -10.3 | 0 | 0 | 0 | 113.2 | L1897 L1901 N1902 H1903 | L1897-N1899 PolarHBondContact O-N 3.23Å; N1899-L1901 VanDerWaalsContact C-N 3.31Å; N1899-L1901 PolarHBondContact O-N 3.09Å; N1899-N1902 PolarHBondContact O-N 3.22Å; N1899-H1903 PolarHBondContact O-CD2 3.09Å; N1899-H1903 VanDerWaalsContact O-CD2 3.24Å; N1899-H1903 PolarHBondContact O-N 3.14Å |
| 1900 | A | 62.8 | Low | 64.9 | Low | 29.4 Ų | 29.4 | 49.2 Ų | 49.2 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1775 P1898 E1904 F1964 | W1775-A1900 HydrophobicContact CH2-CB 3.87Å; W1775-A1900 HydrophobicContact CZ3-CB 4.04Å; P1898-A1900 PolarHBondContact O-N 3.07Å; A1900-E1904 WeakPolarHBondContact O-CG 3.26Å; A1900-F1964 HydrophobicContact CB-CB 4.47Å; A1900-F1964 HydrophobicContact CB-CD2 4.07Å |
| 1901 | L | 64.9 | Low | 64.2 | Low | 5.4 Ų | 5.4 | 48.4 Ų | 48.4 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -82.4 | -28.3 | 176.8 | -67.6 | 178.7 | 0 | 0 | 0 | 112.6 | W1768 L1787 L1791 L1897 P1898 N1899 H1903 E1904 F1907 F1964 | W1768-L1901 HydrophobicContact CH2-CD1 4.4Å; L1787-L1901 HydrophobicContact CD2-CD1 3.68Å; L1791-L1901 HydrophobicContact CD1-CD1 4.29Å; L1897-L1901 HydrophobicContact CB-CB 4.26Å; L1897-L1901 HydrophobicContact CD1-CB 4.49Å; L1897-L1901 HydrophobicContact CD2-CB 4.04Å; L1897-L1901 HydrophobicContact CD2-CD1 4.04Å; L1897-L1901 HydrophobicContact CG-CB 4.49Å; P1898-L1901 HydrophobicContact CG-CD1 4.39Å; P1898-L1901 WeakPolarHBondContact O-CA 3.44Å; P1898-L1901 PolarHBondContact O-N 3.04Å; N1899-L1901 VanDerWaalsContact C-N 3.31Å; N1899-L1901 PolarHBondContact O-N 3.09Å; L1901-H1903 VanDerWaalsContact C-N 3.28Å; L1901-H1903 PolarHBondContact O-N 3.32Å; L1901-E1904 WeakPolarHBondContact O-CB 3.38Å; L1901-E1904 PolarHBondContact O-N 3.31Å; L1901-E1904 VanDerWaalsContact O-N 3.16Å; L1901-F1907 HydrophobicContact CB-CD2 4.24Å; L1901-F1907 HydrophobicContact CB-CE2 4.37Å; L1901-F1907 HydrophobicContact CD2-CD2 4.42Å; L1901-F1907 HydrophobicContact CD2-CE2 3.96Å; L1901-F1907 WeakPolarHBondContact O-CD2 3.42Å; L1901-F1964 HydrophobicContact CD2-CB 4.11Å; L1901-F1964 HydrophobicContact CD2-CD1 3.33Å; L1901-F1964 HydrophobicContact CD2-CD2 4.08Å; L1901-F1964 HydrophobicContact CD2-CE1 3.67Å; L1901-F1964 HydrophobicContact CD2-CE2 4.35Å; L1901-F1964 HydrophobicContact CD2-CG 3.56Å; L1901-F1964 HydrophobicContact CD2-CZ 4.16Å; L1901-F1964 HydrophobicContact CG-CD1 4.4Å; L1901-F1964 HydrophobicContact CG-CD2 4.47Å; L1901-F1964 HydrophobicContact CG-CG 4.37Å |
| 1902 | N | 62.5 | Low | 63.4 | Low | 48.6 Ų | 48.6 | 50.5 Ų | 50.5 | 26% | 0.26 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.2 | -21 | 178.6 | -127.5 | -13.5 | 0 | 0 | 0 | 113.3 | C1894 L1897 P1898 N1899 | C1894-N1902 PolarHBondContact O-ND2 2.96Å; C1894-N1902 PolarHBondContact O-OD1 3.41Å; C1894-N1902 VanDerWaalsContact O-OD1 3.05Å; L1897-N1902 PolarHBondContact O-ND2 3.02Å; P1898-N1902 PolarHBondContact O-N 3.29Å; P1898-N1902 VanDerWaalsContact O-N 3.12Å; N1899-N1902 PolarHBondContact O-N 3.22Å |
| 1903 | H | 59.6 | Low | 62.5 | Low | 107 Ų | 107 | 48.6 Ų | 48.6 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10.4 | 175 | -66 | -50.9 | 0 | 0 | 0 | 114.2 | N1899 L1901 Y1961 | N1899-H1903 PolarHBondContact O-CD2 3.09Å; N1899-H1903 VanDerWaalsContact O-CD2 3.24Å; N1899-H1903 PolarHBondContact O-N 3.14Å; L1901-H1903 VanDerWaalsContact C-N 3.28Å; L1901-H1903 PolarHBondContact O-N 3.32Å; H1903-Y1961 AromaticContact CD2-CD1 3.56Å; H1903-Y1961 AromaticContact CD2-CE1 3.71Å; H1903-Y1961 AromaticContact CG-CE1 3.97Å; H1903-Y1961 AromaticContact NE2-CD1 3.86Å; H1903-Y1961 AromaticContact NE2-CE1 3.53Å; H1903-Y1961 WeakPolarHBondContact NE2-CE1 3.39Å; H1903-Y1961 AromaticContact NE2-CZ 3.73Å |
| 1904 | E | 67.7 | Low | 61.7 | Low | 15.2 Ų | 15.2 | 50.5 Ų | 50.5 | 7% | 0.071 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -72.8 | 133.8 | 177.5 | -75.2 | -65 | 148.4 | 0 | 0 | 111.5 | A1900 L1901 L1906 F1907 R1908 S1963 F1964 F1965 | A1900-E1904 WeakPolarHBondContact O-CG 3.26Å; L1901-E1904 WeakPolarHBondContact O-CB 3.38Å; L1901-E1904 PolarHBondContact O-N 3.31Å; L1901-E1904 VanDerWaalsContact O-N 3.16Å; E1904-L1906 VanDerWaalsContact C-N 3.29Å; E1904-L1906 PolarHBondContact O-N 3.15Å; E1904-F1907 HydrophobicContact CB-CD2 4.06Å; E1904-F1907 PolarHBondContact O-N 3.18Å; E1904-F1907 VanDerWaalsContact O-N 3.17Å; E1904-R1908 VanDerWaalsContact O-CB 3.28Å; E1904-R1908 WeakPolarHBondContact O-CB 3.35Å; E1904-R1908 PolarHBondContact O-N 3.04Å; E1904-S1963 VanDerWaalsContact OE1-C 3.26Å; E1904-S1963 WeakPolarHBondContact OE1-CA 3.34Å; E1904-S1963 VanDerWaalsContact OE1-CB 3.31Å; E1904-S1963 WeakPolarHBondContact OE1-CB 3.33Å; E1904-F1964 HydrophobicContact CG-CB 4.09Å; E1904-F1964 PolarHBondContact OE1-N 3.05Å; E1904-F1965 HydrophobicContact CB-CE2 4.36Å; E1904-F1965 HydrophobicContact CG-CD2 4.12Å; E1904-F1965 HydrophobicContact CG-CE2 4.08Å; E1904-F1965 VanDerWaalsContact OE2-CD2 3.29Å; E1904-F1965 WeakPolarHBondContact OE2-CD2 3.35Å |
| 1905 | P | 65.3 | Low | 60.6 | Low | 56 Ų | 56 | 53.3 Ų | 53.3 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | -176.5 | 24 | -33.1 | 0 | 0 | 0 | 112.2 | F1907 R1908 A1909 E1940 I1944 | P1905-F1907 VanDerWaalsContact C-N 3.26Å; P1905-F1907 PolarHBondContact O-N 3.09Å; P1905-F1907 VanDerWaalsContact O-N 3.13Å; P1905-R1908 PolarHBondContact O-N 3.26Å; P1905-A1909 WeakPolarHBondContact O-CB 3.37Å; P1905-A1909 PolarHBondContact O-N 3.12Å; P1905-E1940 HydrophobicContact CB-CG 4.42Å; P1905-I1944 HydrophobicContact CG-CD1 4.42Å; P1905-I1944 HydrophobicContact CG-CG1 4.44Å |
| 1906 | L | 69.4 | Low | 59.2 | Low | 4.6 Ų | 4.6 | 55.5 Ų | 55.5 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.8 | -33.2 | -179.4 | -153.9 | 166.8 | 0 | 0 | 0 | 113.4 | V1488 A1760 M1764 E1904 N1910 L1941 I1944 F1965 | V1488-L1906 HydrophobicContact CB-CD2 4.4Å; V1488-L1906 HydrophobicContact CG1-CD2 4.28Å; V1488-L1906 HydrophobicContact CG2-CD2 3.98Å; V1488-L1906 HydrophobicContact CG2-CG 4.38Å; V1488-L1906 WeakPolarHBondContact CG2-O 3.19Å; A1760-L1906 HydrophobicContact CB-CD2 4.45Å; M1764-L1906 HydrophobicContact CG-CD1 4.13Å; M1764-L1906 HydrophobicContact CG-CD2 4.36Å; M1764-L1906 HydrophobicContact SD-CD1 4.48Å; M1764-L1906 HydrophobicContact SD-CD2 4.05Å; E1904-L1906 VanDerWaalsContact C-N 3.29Å; E1904-L1906 PolarHBondContact O-N 3.15Å; L1906-N1910 VanDerWaalsContact O-CB 3.27Å; L1906-N1910 WeakPolarHBondContact O-CB 3.38Å; L1906-N1910 PolarHBondContact O-N 2.98Å; L1906-N1910 PolarHBondContact O-ND2 3.29Å; L1906-L1941 HydrophobicContact CD1-CD2 3.83Å; L1906-L1941 HydrophobicContact CD2-CD2 3.92Å; L1906-L1941 HydrophobicContact CG-CD2 4.45Å; L1906-I1944 HydrophobicContact CB-CD1 3.58Å; L1906-I1944 VanDerWaalsContact CB-CD1 3.49Å; L1906-I1944 HydrophobicContact CD1-CD1 3.77Å; L1906-I1944 HydrophobicContact CD1-CG2 4.16Å; L1906-I1944 HydrophobicContact CD2-CD1 3.53Å; L1906-I1944 HydrophobicContact CG-CD1 4.04Å; L1906-F1965 HydrophobicContact CB-CE2 4.47Å; L1906-F1965 HydrophobicContact CD1-CD2 4.37Å; L1906-F1965 HydrophobicContact CD1-CE1 4.48Å; L1906-F1965 HydrophobicContact CD1-CE2 4.17Å; L1906-F1965 HydrophobicContact CD1-CZ 3.96Å; L1906-F1965 HydrophobicContact CG-CE2 4.49Å |
| 1907 | F | 69.2 | Low | 57.6 | Low | 14.8 Ų | 14.8 | 57.6 Ų | 57.6 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -89.6 | -46.9 | 175.1 | -73.6 | -71 | 0 | 0 | 0 | 110.6 | L1486 M1764 L1791 L1897 L1901 E1904 P1905 A1909 N1910 C1911 F1965 | L1486-F1907 HydrophobicContact CD1-CD1 3.98Å; L1486-F1907 HydrophobicContact CD1-CE1 3.75Å; L1486-F1907 HydrophobicContact CD2-CD1 4.35Å; M1764-F1907 HydrophobicContact CE-CE1 4.11Å; M1764-F1907 HydrophobicContact CE-CZ 3.84Å; M1764-F1907 HydrophobicContact SD-CE1 4.13Å; M1764-F1907 HydrophobicContact SD-CZ 4.11Å; L1791-F1907 HydrophobicContact CD1-CE1 4.27Å; L1791-F1907 HydrophobicContact CD1-CZ 4.21Å; L1791-F1907 HydrophobicContact CD2-CE1 4.29Å; L1791-F1907 HydrophobicContact CD2-CZ 4.26Å; L1897-F1907 HydrophobicContact CD1-CB 3.8Å; L1897-F1907 HydrophobicContact CD1-CD1 4.15Å; L1897-F1907 HydrophobicContact CD1-CD2 4.42Å; L1897-F1907 HydrophobicContact CD1-CE1 3.47Å; L1897-F1907 VanDerWaalsContact CD1-CE1 3.47Å; L1897-F1907 HydrophobicContact CD1-CG 3.91Å; L1897-F1907 HydrophobicContact CD1-CZ 4.36Å; L1897-F1907 HydrophobicContact CD2-CE1 3.8Å; L1897-F1907 HydrophobicContact CD2-CZ 3.91Å; L1897-F1907 HydrophobicContact CG-CE1 4.32Å; L1901-F1907 HydrophobicContact CB-CD2 4.24Å; L1901-F1907 HydrophobicContact CB-CE2 4.37Å; L1901-F1907 HydrophobicContact CD2-CD2 4.42Å; L1901-F1907 HydrophobicContact CD2-CE2 3.96Å; L1901-F1907 WeakPolarHBondContact O-CD2 3.42Å; E1904-F1907 HydrophobicContact CB-CD2 4.06Å; E1904-F1907 PolarHBondContact O-N 3.18Å; E1904-F1907 VanDerWaalsContact O-N 3.17Å; P1905-F1907 VanDerWaalsContact C-N 3.26Å; P1905-F1907 PolarHBondContact O-N 3.09Å; P1905-F1907 VanDerWaalsContact O-N 3.13Å; F1907-A1909 PolarHBondContact O-N 3.28Å; F1907-N1910 PolarHBondContact O-N 3.37Å; F1907-C1911 VanDerWaalsContact CD1-SG 3.53Å; F1907-C1911 WeakPolarHBondContact CE1-SG 3.3Å; F1907-C1911 VanDerWaalsContact O-CB 3.3Å; F1907-C1911 WeakPolarHBondContact O-CB 3.45Å; F1907-C1911 PolarHBondContact O-N 3.08Å; F1907-C1911 PolarHBondContact O-SG 3.37Å; F1907-F1965 HydrophobicContact CE2-CE2 4.33Å; F1907-F1965 AromaticContact CE2-CZ 3.91Å; F1907-F1965 HydrophobicContact CE2-CZ 4.01Å; F1907-F1965 HydrophobicContact CZ-CZ 4.43Å |
| 1908 | R | 62.3 | Low | 56.2 | Low | 150.8 Ų | 150.8 | 60.8 Ų | 60.8 | 57% | 0.569 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.7 | -47 | -176.5 | -170.8 | 179.8 | 178.9 | -160.9 | -1.6 | 113.1 | E1904 P1905 C1911 L1912 M2447 | E1904-R1908 VanDerWaalsContact O-CB 3.28Å; E1904-R1908 WeakPolarHBondContact O-CB 3.35Å; E1904-R1908 PolarHBondContact O-N 3.04Å; P1905-R1908 PolarHBondContact O-N 3.26Å; R1908-C1911 PolarHBondContact O-N 2.97Å; R1908-L1912 HydrophobicContact CG-CD1 4.24Å; R1908-L1912 WeakPolarHBondContact O-CB 3.2Å; R1908-L1912 VanDerWaalsContact O-CG 3.26Å; R1908-L1912 WeakPolarHBondContact O-CG 3.32Å; R1908-L1912 PolarHBondContact O-N 3.17Å; R1908-L1912 VanDerWaalsContact O-N 3.12Å; R1908-M2447 PolarHBondContact NH2-O 2.82Å |
| 1909 | A | 57 | Low | 54.7 | Low | 28.6 Ų | 28.6 | 64.5 Ų | 64.5 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77 | -35.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1905 F1907 C1911 L1912 T1913 E1940 | P1905-A1909 WeakPolarHBondContact O-CB 3.37Å; P1905-A1909 PolarHBondContact O-N 3.12Å; F1907-A1909 PolarHBondContact O-N 3.28Å; A1909-C1911 PolarHBondContact O-N 3.4Å; A1909-L1912 CarbonylContact O-C 3.6Å; A1909-L1912 WeakPolarHBondContact O-CA 3.41Å; A1909-L1912 WeakPolarHBondContact O-CB 3.45Å; A1909-L1912 PolarHBondContact O-N 3.25Å; A1909-L1912 VanDerWaalsContact O-N 3.13Å; A1909-T1913 WeakPolarHBondContact O-CB 3.46Å; A1909-T1913 WeakPolarHBondContact O-CG2 3.34Å; A1909-T1913 PolarHBondContact O-N 3.26Å; A1909-T1913 PolarHBondContact O-OG1 3.23Å; A1909-T1913 VanDerWaalsContact O-OG1 3.13Å; A1909-E1940 VanDerWaalsContact CB-CD 3.5Å; A1909-E1940 HydrophobicContact CB-CG 4.42Å; A1909-E1940 WeakPolarHBondContact CB-OE1 3.41Å |
| 1910 | N | 57.7 | Low | 53.3 | Low | 18.8 Ų | 18.8 | 62.9 Ų | 62.9 | 10% | 0.101 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -31.5 | 172.3 | -71.6 | -52 | 0 | 0 | 0 | 113.4 | P1487 V1488 L1906 F1907 L1912 T1913 T1914 L1937 E1940 | P1487-N1910 HydrophobicContact CB-CB 4.41Å; V1488-N1910 HydrophobicContact CG2-CB 4.02Å; L1906-N1910 VanDerWaalsContact O-CB 3.27Å; L1906-N1910 WeakPolarHBondContact O-CB 3.38Å; L1906-N1910 PolarHBondContact O-N 2.98Å; L1906-N1910 PolarHBondContact O-ND2 3.29Å; F1907-N1910 PolarHBondContact O-N 3.37Å; N1910-L1912 VanDerWaalsContact C-N 3.33Å; N1910-L1912 PolarHBondContact O-N 3.04Å; N1910-T1913 WeakPolarHBondContact CA-OG1 3.47Å; N1910-T1913 PolarHBondContact O-N 2.93Å; N1910-T1913 PolarHBondContact O-OG1 3.13Å; N1910-T1913 PolarHBondContact OD1-OG1 3.47Å; N1910-T1914 WeakPolarHBondContact O-CB 3.48Å; N1910-T1914 VanDerWaalsContact O-CG2 3.28Å; N1910-T1914 WeakPolarHBondContact O-CG2 3.45Å; N1910-T1914 PolarHBondContact O-N 3.29Å; N1910-T1914 PolarHBondContact O-OG1 2.82Å; N1910-L1937 WeakPolarHBondContact ND2-CD1 3.16Å; N1910-E1940 PolarHBondContact ND2-OE2 2.99Å |
| 1911 | C | 53.2 | Low | 51.9 | Low | 17 Ų | 17 | 66.4 Ų | 66.4 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -33.5 | 168.3 | -62 | 0 | 0 | 0 | 0 | 110.8 | W1890 C1894 F1907 R1908 A1909 T1913 T1914 L1915 | W1890-C1911 HydrophobicContact CH2-CB 4.22Å; W1890-C1911 HydrophobicContact CZ3-CB 3.92Å; C1894-C1911 HydrophobicContact CB-CB 4.33Å; C1894-C1911 WeakPolarHBondContact CB-SG 3.34Å; C1894-C1911 WeakPolarHBondContact SG-CB 3.38Å; C1894-C1911 CovalentContact SG-SG 2.07Å; C1894-C1911 PolarHBondContact SG-SG 3.04Å; F1907-C1911 VanDerWaalsContact CD1-SG 3.53Å; F1907-C1911 WeakPolarHBondContact CE1-SG 3.3Å; F1907-C1911 VanDerWaalsContact O-CB 3.3Å; F1907-C1911 WeakPolarHBondContact O-CB 3.45Å; F1907-C1911 PolarHBondContact O-N 3.08Å; F1907-C1911 PolarHBondContact O-SG 3.37Å; R1908-C1911 PolarHBondContact O-N 2.97Å; A1909-C1911 PolarHBondContact O-N 3.4Å; C1911-T1913 PolarHBondContact O-N 3.01Å; C1911-T1914 PolarHBondContact O-N 3.09Å; C1911-T1914 PolarHBondContact O-OG1 3.05Å; C1911-T1914 VanDerWaalsContact O-OG1 3.1Å; C1911-L1915 WeakPolarHBondContact O-CB 3.27Å; C1911-L1915 VanDerWaalsContact O-CD1 3.26Å; C1911-L1915 WeakPolarHBondContact O-CD1 3.29Å; C1911-L1915 WeakPolarHBondContact O-CG 3.42Å; C1911-L1915 PolarHBondContact O-N 2.97Å; C1911-L1915 VanDerWaalsContact O-N 3.1Å |
| 1912 | L | 48.5 | Very low | 50.5 | Low | 97.6 Ų | 97.6 | 75.9 Ų | 75.9 | 51% | 0.511 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -80.4 | -38.1 | -179.3 | -72.1 | 170.9 | 0 | 0 | 0 | 114.4 | R1908 A1909 N1910 T1914 L1915 W1916 | R1908-L1912 HydrophobicContact CG-CD1 4.24Å; R1908-L1912 WeakPolarHBondContact O-CB 3.2Å; R1908-L1912 VanDerWaalsContact O-CG 3.26Å; R1908-L1912 WeakPolarHBondContact O-CG 3.32Å; R1908-L1912 PolarHBondContact O-N 3.17Å; R1908-L1912 VanDerWaalsContact O-N 3.12Å; A1909-L1912 CarbonylContact O-C 3.6Å; A1909-L1912 WeakPolarHBondContact O-CA 3.41Å; A1909-L1912 WeakPolarHBondContact O-CB 3.45Å; A1909-L1912 PolarHBondContact O-N 3.25Å; A1909-L1912 VanDerWaalsContact O-N 3.13Å; N1910-L1912 VanDerWaalsContact C-N 3.33Å; N1910-L1912 PolarHBondContact O-N 3.04Å; L1912-T1914 VanDerWaalsContact C-N 3.28Å; L1912-T1914 PolarHBondContact O-N 2.93Å; L1912-L1915 HydrophobicContact CD2-CD1 4.14Å; L1912-L1915 WeakPolarHBondContact O-CB 3.29Å; L1912-L1915 PolarHBondContact O-N 3.17Å; L1912-W1916 WeakPolarHBondContact O-CB 3.31Å; L1912-W1916 PolarHBondContact O-N 3.14Å; L1912-W1916 VanDerWaalsContact O-N 3.09Å |
| 1913 | T | 50 | Low | 49.2 | Very low | 31.8 Ų | 31.8 | 77.3 Ų | 77.3 | 20% | 0.195 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 179.5 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | A1909 N1910 C1911 L1915 W1916 W1917 N1936 L1937 | A1909-T1913 WeakPolarHBondContact O-CB 3.46Å; A1909-T1913 WeakPolarHBondContact O-CG2 3.34Å; A1909-T1913 PolarHBondContact O-N 3.26Å; A1909-T1913 PolarHBondContact O-OG1 3.23Å; A1909-T1913 VanDerWaalsContact O-OG1 3.13Å; N1910-T1913 WeakPolarHBondContact CA-OG1 3.47Å; N1910-T1913 PolarHBondContact O-N 2.93Å; N1910-T1913 PolarHBondContact O-OG1 3.13Å; N1910-T1913 PolarHBondContact OD1-OG1 3.47Å; C1911-T1913 PolarHBondContact O-N 3.01Å; T1913-L1915 VanDerWaalsContact C-N 3.32Å; T1913-L1915 PolarHBondContact O-N 3.34Å; T1913-W1916 WeakPolarHBondContact O-CB 3.38Å; T1913-W1916 PolarHBondContact O-N 3.21Å; T1913-W1916 VanDerWaalsContact O-N 3.12Å; T1913-W1917 PolarHBondContact O-N 3.26Å; T1913-N1936 HydrophobicContact CG2-CB 4.32Å; T1913-L1937 HydrophobicContact CG2-CD1 3.47Å; T1913-L1937 VanDerWaalsContact CG2-CD1 3.47Å |
| 1914 | T | 49.9 | Very low | 48.1 | Very low | 48 Ų | 48 | 78.3 Ų | 78.3 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.5 | -30.3 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | P1487 W1890 N1910 C1911 L1912 W1916 W1917 | P1487-T1914 HydrophobicContact CB-CG2 4.27Å; W1890-T1914 HydrophobicContact CE3-CG2 4.47Å; W1890-T1914 HydrophobicContact CH2-CG2 4.13Å; W1890-T1914 VanDerWaalsContact CH2-OG1 3.28Å; W1890-T1914 WeakPolarHBondContact CH2-OG1 3.44Å; W1890-T1914 HydrophobicContact CZ2-CG2 4.45Å; W1890-T1914 HydrophobicContact CZ3-CG2 4.08Å; W1890-T1914 WeakPolarHBondContact CZ3-OG1 3.3Å; N1910-T1914 WeakPolarHBondContact O-CB 3.48Å; N1910-T1914 VanDerWaalsContact O-CG2 3.28Å; N1910-T1914 WeakPolarHBondContact O-CG2 3.45Å; N1910-T1914 PolarHBondContact O-N 3.29Å; N1910-T1914 PolarHBondContact O-OG1 2.82Å; C1911-T1914 PolarHBondContact O-N 3.09Å; C1911-T1914 PolarHBondContact O-OG1 3.05Å; C1911-T1914 VanDerWaalsContact O-OG1 3.1Å; L1912-T1914 VanDerWaalsContact C-N 3.28Å; L1912-T1914 PolarHBondContact O-N 2.93Å; T1914-W1916 VanDerWaalsContact C-N 3.27Å; T1914-W1916 PolarHBondContact O-N 3.3Å; T1914-W1917 WeakPolarHBondContact O-CB 3.34Å; T1914-W1917 PolarHBondContact O-N 3.16Å |
| 1915 | L | 42.3 | Very low | 46.7 | Very low | 77 Ų | 77 | 80.5 Ų | 80.5 | 40% | 0.403 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.4 | -26 | 173.5 | -84.1 | 166.2 | 0 | 0 | 0 | 113 | T1887 C1911 L1912 T1913 W1917 S1918 | T1887-L1915 HydrophobicContact CG2-CD2 3.79Å; T1887-L1915 VanDerWaalsContact CG2-CD2 3.45Å; T1887-L1915 HydrophobicContact CG2-CG 3.83Å; C1911-L1915 WeakPolarHBondContact O-CB 3.27Å; C1911-L1915 VanDerWaalsContact O-CD1 3.26Å; C1911-L1915 WeakPolarHBondContact O-CD1 3.29Å; C1911-L1915 WeakPolarHBondContact O-CG 3.42Å; C1911-L1915 PolarHBondContact O-N 2.97Å; C1911-L1915 VanDerWaalsContact O-N 3.1Å; L1912-L1915 HydrophobicContact CD2-CD1 4.14Å; L1912-L1915 WeakPolarHBondContact O-CB 3.29Å; L1912-L1915 PolarHBondContact O-N 3.17Å; T1913-L1915 VanDerWaalsContact C-N 3.32Å; T1913-L1915 PolarHBondContact O-N 3.34Å; L1915-W1917 VanDerWaalsContact C-N 3.28Å; L1915-W1917 PolarHBondContact O-N 3.23Å; L1915-W1917 VanDerWaalsContact O-N 3.08Å; L1915-S1918 WeakPolarHBondContact O-CB 3.36Å; L1915-S1918 PolarHBondContact O-N 3.32Å |
| 1916 | W | 37.3 | Very low | 45.6 | Very low | 168.8 Ų | 168.8 | 80.7 Ų | 80.7 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -74.5 | -17.3 | -173.5 | -125.7 | 60.8 | 0 | 0 | 0 | 114.2 | L1912 T1913 T1914 S1918 S1919 I1930 D1933 P2452 | L1912-W1916 WeakPolarHBondContact O-CB 3.31Å; L1912-W1916 PolarHBondContact O-N 3.14Å; L1912-W1916 VanDerWaalsContact O-N 3.09Å; T1913-W1916 WeakPolarHBondContact O-CB 3.38Å; T1913-W1916 PolarHBondContact O-N 3.21Å; T1913-W1916 VanDerWaalsContact O-N 3.12Å; T1914-W1916 VanDerWaalsContact C-N 3.27Å; T1914-W1916 PolarHBondContact O-N 3.3Å; W1916-S1918 PolarHBondContact O-N 3.27Å; W1916-S1918 VanDerWaalsContact O-N 3.15Å; W1916-S1919 PolarHBondContact O-N 2.92Å; W1916-I1930 HydrophobicContact CH2-CB 3.81Å; W1916-I1930 HydrophobicContact CH2-CG1 3.64Å; W1916-I1930 HydrophobicContact CH2-CG2 3.68Å; W1916-I1930 HydrophobicContact CZ2-CG1 4.49Å; W1916-I1930 HydrophobicContact CZ3-CB 4.06Å; W1916-I1930 HydrophobicContact CZ3-CG1 3.85Å; W1916-I1930 HydrophobicContact CZ3-CG2 3.5Å; W1916-I1930 VanDerWaalsContact CZ3-CG2 3.5Å; W1916-D1933 HydrophobicContact CH2-CB 4.48Å; W1916-D1933 HydrophobicContact CZ2-CB 4.2Å; W1916-P2452 HydrophobicContact CZ2-CB 4.48Å; W1916-P2452 HydrophobicContact CZ2-CG 3.87Å; W1916-P2452 WeakPolarHBondContact CZ2-O 3.38Å |
| 1917 | W | 33.2 | Very low | 44.1 | Very low | 139.6 Ų | 139.6 | 84.6 Ų | 84.6 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -69.4 | -13.3 | 177.2 | -94.5 | 74.2 | 0 | 0 | 0 | 114.4 | L1861 T1913 T1914 L1915 S1919 S1920 S1929 I1930 D1933 | L1861-W1917 HydrophobicContact CD1-CE3 3.68Å; L1861-W1917 HydrophobicContact CD1-CH2 4.02Å; L1861-W1917 HydrophobicContact CD1-CZ3 3.34Å; L1861-W1917 HydrophobicContact CG-CH2 4.49Å; L1861-W1917 HydrophobicContact CG-CZ3 4.26Å; T1913-W1917 PolarHBondContact O-N 3.26Å; T1914-W1917 WeakPolarHBondContact O-CB 3.34Å; T1914-W1917 PolarHBondContact O-N 3.16Å; L1915-W1917 VanDerWaalsContact C-N 3.28Å; L1915-W1917 PolarHBondContact O-N 3.23Å; L1915-W1917 VanDerWaalsContact O-N 3.08Å; W1917-S1919 VanDerWaalsContact C-N 3.3Å; W1917-S1919 PolarHBondContact O-N 3.05Å; W1917-S1919 VanDerWaalsContact O-N 3.07Å; W1917-S1920 PolarHBondContact O-N 3.19Å; W1917-S1929 WeakPolarHBondContact CH2-OG 2.94Å; W1917-S1929 WeakPolarHBondContact CZ2-OG 3.1Å; W1917-I1930 HydrophobicContact CH2-CD1 3.97Å; W1917-I1930 HydrophobicContact CH2-CG1 3.62Å; W1917-I1930 VanDerWaalsContact CH2-CG1 3.45Å; W1917-I1930 HydrophobicContact CZ2-CB 4.49Å; W1917-I1930 HydrophobicContact CZ2-CD1 4.45Å; W1917-I1930 HydrophobicContact CZ2-CG1 3.66Å; W1917-I1930 VanDerWaalsContact CZ2-CG1 3.45Å; W1917-D1933 VanDerWaalsContact CE2-OD2 3.3Å; W1917-D1933 WeakPolarHBondContact CZ2-OD2 3Å; W1917-D1933 PolarHBondContact NE1-OD1 3.09Å; W1917-D1933 PolarHBondContact NE1-OD2 3.09Å |
| 1918 | S | 36.8 | Very low | 43 | Very low | 77.6 Ų | 77.6 | 88.3 Ų | 88.3 | 54% | 0.543 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -72.3 | 16.6 | 178.9 | -166.1 | 0 | 0 | 0 | 0 | 112.9 | L1915 W1916 | L1915-S1918 WeakPolarHBondContact O-CB 3.36Å; L1915-S1918 PolarHBondContact O-N 3.32Å; W1916-S1918 PolarHBondContact O-N 3.27Å; W1916-S1918 VanDerWaalsContact O-N 3.15Å |
| 1919 | S | 35.6 | Very low | 42.3 | Very low | 99.8 Ų | 99.8 | 82.8 Ų | 82.8 | 70% | 0.698 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -89.5 | 34.8 | 173.4 | -78.7 | 0 | 0 | 0 | 0 | 115.4 | W1916 W1917 | W1916-S1919 PolarHBondContact O-N 2.92Å; W1917-S1919 VanDerWaalsContact C-N 3.3Å; W1917-S1919 PolarHBondContact O-N 3.05Å; W1917-S1919 VanDerWaalsContact O-N 3.07Å |
| 1920 | S | 33.6 | Very low | 42.1 | Very low | 85.2 Ų | 85.2 | 83.4 Ų | 83.4 | 60% | 0.596 | 47% | 0.47 | S | S | * | . | trans | -117.6 | 66.3 | -178.8 | 115.5 | 0 | 0 | 0 | 0 | 114.1 | W1917 K1922 | W1917-S1920 PolarHBondContact O-N 3.19Å; S1920-K1922 VanDerWaalsContact C-N 3.3Å; S1920-K1922 PolarHBondContact O-N 3.25Å | ||
| 1921 | S | 34.5 | Very low | 42.2 | Very low | 102.4 Ų | 102.4 | 84.2 Ų | 84.2 | 72% | 0.716 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 52.8 | 176.5 | 60.9 | 0 | 0 | 0 | 0 | 114 | ||
| 1922 | K | 35.9 | Very low | 42.7 | Very low | 204 Ų | 204 | 88.8 Ų | 88.8 | 89% | 0.887 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -142.9 | 27.6 | -176.3 | -62.4 | -179.1 | -179.8 | 176.4 | 0 | 117.5 | S1920 | S1920-K1922 VanDerWaalsContact C-N 3.3Å; S1920-K1922 PolarHBondContact O-N 3.25Å |
| 1923 | S | 33.9 | Very low | 43.4 | Very low | 78 Ų | 78 | 86.5 Ų | 86.5 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -151.9 | 147.4 | 161.3 | 58.8 | 0 | 0 | 0 | 0 | 113 | S1925 S1926 | S1923-S1925 PolarHBondContact O-N 3.27Å; S1923-S1925 VanDerWaalsContact O-N 3.11Å; S1923-S1925 PolarHBondContact O-OG 3.29Å; S1923-S1925 PolarHBondContact OG-OG 3.2Å; S1923-S1926 PolarHBondContact O-N 2.9Å; S1923-S1926 PolarHBondContact O-OG 3.12Å |
| 1924 | S | 37.5 | Very low | 44.3 | Very low | 129.2 Ų | 129.2 | 86.3 Ų | 86.3 | 90% | 0.903 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -66.5 | 22.6 | -172 | -14.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1925 | S | 36.9 | Very low | 45.4 | Very low | 61 Ų | 61 | 84.2 Ų | 84.2 | 43% | 0.427 | 46% | 0.464 | S | S | . | . | trans | -97.2 | 2.2 | -173.8 | 55 | 0 | 0 | 0 | 0 | 114.8 | S1923 M1927 I1928 | S1923-S1925 PolarHBondContact O-N 3.27Å; S1923-S1925 VanDerWaalsContact O-N 3.11Å; S1923-S1925 PolarHBondContact O-OG 3.29Å; S1923-S1925 PolarHBondContact OG-OG 3.2Å; S1925-M1927 VanDerWaalsContact C-N 3.3Å; S1925-M1927 PolarHBondContact O-N 3.12Å; S1925-M1927 VanDerWaalsContact O-N 3.11Å; S1925-I1928 WeakPolarHBondContact O-CB 3.43Å; S1925-I1928 PolarHBondContact O-N 3.35Å; S1925-I1928 VanDerWaalsContact O-N 3.13Å | ||
| 1926 | S | 43.4 | Very low | 46.8 | Very low | 60.2 Ų | 60.2 | 83.4 Ų | 83.4 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -22.5 | -169.5 | 55.7 | 0 | 0 | 0 | 0 | 115.9 | S1923 I1928 S1929 I1930 | S1923-S1926 PolarHBondContact O-N 2.9Å; S1923-S1926 PolarHBondContact O-OG 3.12Å; S1926-I1928 VanDerWaalsContact C-N 3.33Å; S1926-I1928 PolarHBondContact O-N 3.43Å; S1926-S1929 PolarHBondContact O-N 2.8Å; S1926-S1929 PolarHBondContact O-OG 3.14Å; S1926-S1929 VanDerWaalsContact O-OG 3.07Å; S1926-I1930 WeakPolarHBondContact O-CG1 3.23Å; S1926-I1930 PolarHBondContact O-N 3.47Å |
| 1927 | M | 38.1 | Very low | 48.5 | Very low | 86.4 Ų | 86.4 | 75.9 Ų | 75.9 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -78 | -27.6 | 178 | -82.5 | -147.4 | 116.1 | 0 | 0 | 113.4 | H1747 S1925 S1929 I1930 E1931 | H1747-M1927 VanDerWaalsContact CE1-CE 3.48Å; H1747-M1927 WeakPolarHBondContact CE1-CE 3.25Å; S1925-M1927 VanDerWaalsContact C-N 3.3Å; S1925-M1927 PolarHBondContact O-N 3.12Å; S1925-M1927 VanDerWaalsContact O-N 3.11Å; M1927-S1929 VanDerWaalsContact C-N 3.3Å; M1927-S1929 PolarHBondContact O-N 3.47Å; M1927-I1930 HydrophobicContact CE-CD1 4.24Å; M1927-I1930 PolarHBondContact O-N 3.12Å; M1927-E1931 PolarHBondContact O-N 3.13Å |
| 1928 | I | 44.6 | Very low | 50.8 | Low | 92.8 Ų | 92.8 | 69.4 Ų | 69.4 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -76.7 | -26.2 | -175.4 | -62.1 | 171.3 | 0 | 0 | 0 | 111.5 | C1832 S1925 S1926 I1930 K1932 | C1832-I1928 HydrophobicContact CB-CD1 4.37Å; C1832-I1928 HydrophobicContact CB-CG1 4.03Å; C1832-I1928 VanDerWaalsContact SG-CG1 3.52Å; S1925-I1928 WeakPolarHBondContact O-CB 3.43Å; S1925-I1928 PolarHBondContact O-N 3.35Å; S1925-I1928 VanDerWaalsContact O-N 3.13Å; S1926-I1928 VanDerWaalsContact C-N 3.33Å; S1926-I1928 PolarHBondContact O-N 3.43Å; I1928-I1930 VanDerWaalsContact C-N 3.3Å; I1928-I1930 PolarHBondContact O-N 3.14Å; I1928-K1932 WeakPolarHBondContact O-CD 3.18Å; I1928-K1932 WeakPolarHBondContact O-CG 3.4Å; I1928-K1932 PolarHBondContact O-N 3.25Å |
| 1929 | S | 49.5 | Very low | 52.7 | Low | 34.6 Ų | 34.6 | 67 Ų | 67 | 24% | 0.242 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71 | -43.2 | 175.9 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | W1917 S1926 M1927 E1931 K1932 D1933 | W1917-S1929 WeakPolarHBondContact CH2-OG 2.94Å; W1917-S1929 WeakPolarHBondContact CZ2-OG 3.1Å; S1926-S1929 PolarHBondContact O-N 2.8Å; S1926-S1929 PolarHBondContact O-OG 3.14Å; S1926-S1929 VanDerWaalsContact O-OG 3.07Å; M1927-S1929 VanDerWaalsContact C-N 3.3Å; M1927-S1929 PolarHBondContact O-N 3.47Å; S1929-E1931 VanDerWaalsContact C-N 3.29Å; S1929-E1931 PolarHBondContact O-N 3.08Å; S1929-E1931 VanDerWaalsContact O-N 3.15Å; S1929-K1932 WeakPolarHBondContact O-CA 3.35Å; S1929-K1932 VanDerWaalsContact O-CB 3.31Å; S1929-K1932 WeakPolarHBondContact O-CB 3.3Å; S1929-K1932 PolarHBondContact O-N 3.17Å; S1929-K1932 VanDerWaalsContact O-N 3.1Å; S1929-D1933 PolarHBondContact O-N 3.18Å; S1929-D1933 VanDerWaalsContact O-N 3.15Å; S1929-D1933 VanDerWaalsContact O-OD2 3.09Å |
| 1930 | I | 52.7 | Low | 54.7 | Low | 41 Ų | 41 | 63.8 Ų | 63.8 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | -176.1 | -60.3 | 171.2 | 0 | 0 | 0 | 112 | H1860 L1861 W1916 W1917 S1926 M1927 I1928 K1932 D1933 Q1934 | H1860-I1930 HydrophobicContact CB-CD1 4.2Å; L1861-I1930 HydrophobicContact CD1-CD1 3.88Å; L1861-I1930 HydrophobicContact CD1-CG1 3.9Å; L1861-I1930 HydrophobicContact CD2-CD1 3.95Å; L1861-I1930 HydrophobicContact CD2-CG1 3.92Å; L1861-I1930 HydrophobicContact CD2-CG2 3.88Å; L1861-I1930 HydrophobicContact CG-CD1 3.97Å; L1861-I1930 HydrophobicContact CG-CG1 4.26Å; W1916-I1930 HydrophobicContact CH2-CB 3.81Å; W1916-I1930 HydrophobicContact CH2-CG1 3.64Å; W1916-I1930 HydrophobicContact CH2-CG2 3.68Å; W1916-I1930 HydrophobicContact CZ2-CG1 4.49Å; W1916-I1930 HydrophobicContact CZ3-CB 4.06Å; W1916-I1930 HydrophobicContact CZ3-CG1 3.85Å; W1916-I1930 HydrophobicContact CZ3-CG2 3.5Å; W1916-I1930 VanDerWaalsContact CZ3-CG2 3.5Å; W1917-I1930 HydrophobicContact CH2-CD1 3.97Å; W1917-I1930 HydrophobicContact CH2-CG1 3.62Å; W1917-I1930 VanDerWaalsContact CH2-CG1 3.45Å; W1917-I1930 HydrophobicContact CZ2-CB 4.49Å; W1917-I1930 HydrophobicContact CZ2-CD1 4.45Å; W1917-I1930 HydrophobicContact CZ2-CG1 3.66Å; W1917-I1930 VanDerWaalsContact CZ2-CG1 3.45Å; S1926-I1930 WeakPolarHBondContact O-CG1 3.23Å; S1926-I1930 PolarHBondContact O-N 3.47Å; M1927-I1930 HydrophobicContact CE-CD1 4.24Å; M1927-I1930 PolarHBondContact O-N 3.12Å; I1928-I1930 VanDerWaalsContact C-N 3.3Å; I1928-I1930 PolarHBondContact O-N 3.14Å; I1930-K1932 VanDerWaalsContact C-N 3.33Å; I1930-K1932 PolarHBondContact O-N 3.15Å; I1930-D1933 PolarHBondContact O-N 2.83Å; I1930-Q1934 WeakPolarHBondContact O-CG 3.47Å; I1930-Q1934 PolarHBondContact O-N 3.23Å; I1930-Q1934 VanDerWaalsContact O-N 3.17Å |
| 1931 | E | 59.9 | Low | 56.9 | Low | 37.2 Ų | 37.2 | 59.8 Ų | 59.8 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 177.4 | -66.8 | -177.1 | 178.3 | 0 | 0 | 111.8 | K1826 M1927 S1929 D1933 Q1934 V1935 | K1826-E1931 VanDerWaalsContact CE-OE1 3.3Å; K1826-E1931 WeakPolarHBondContact CE-OE1 3.15Å; K1826-E1931 IonicContact NZ-OE1 3.13Å; K1826-E1931 PolarHBondContact NZ-OE1 3.11Å; M1927-E1931 PolarHBondContact O-N 3.13Å; S1929-E1931 VanDerWaalsContact C-N 3.29Å; S1929-E1931 PolarHBondContact O-N 3.08Å; S1929-E1931 VanDerWaalsContact O-N 3.15Å; E1931-D1933 VanDerWaalsContact C-N 3.35Å; E1931-D1933 PolarHBondContact O-N 2.69Å; E1931-Q1934 PolarHBondContact O-N 3.38Å; E1931-V1935 VanDerWaalsContact O-CG2 3.27Å; E1931-V1935 WeakPolarHBondContact O-CG2 3.28Å; E1931-V1935 PolarHBondContact O-N 3.08Å; E1931-V1935 VanDerWaalsContact O-N 3.13Å |
| 1932 | K | 62.5 | Low | 59.1 | Low | 112.6 Ų | 112.6 | 54.9 Ų | 54.9 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 177.8 | -105 | 177.1 | 180 | -178.1 | 0 | 112.1 | I1928 S1929 I1930 Q1934 V1935 N1936 F1989 | I1928-K1932 WeakPolarHBondContact O-CD 3.18Å; I1928-K1932 WeakPolarHBondContact O-CG 3.4Å; I1928-K1932 PolarHBondContact O-N 3.25Å; S1929-K1932 WeakPolarHBondContact O-CA 3.35Å; S1929-K1932 VanDerWaalsContact O-CB 3.31Å; S1929-K1932 WeakPolarHBondContact O-CB 3.3Å; S1929-K1932 PolarHBondContact O-N 3.17Å; S1929-K1932 VanDerWaalsContact O-N 3.1Å; I1930-K1932 VanDerWaalsContact C-N 3.33Å; I1930-K1932 PolarHBondContact O-N 3.15Å; K1932-Q1934 PolarHBondContact O-N 3.18Å; K1932-V1935 WeakPolarHBondContact O-CB 3.42Å; K1932-V1935 PolarHBondContact O-N 3.24Å; K1932-V1935 VanDerWaalsContact O-N 3.11Å; K1932-N1936 WeakPolarHBondContact O-CB 3.27Å; K1932-N1936 VanDerWaalsContact O-CG 3.24Å; K1932-N1936 PolarHBondContact O-N 3.23Å; K1932-N1936 PolarHBondContact O-ND2 3.2Å; K1932-N1936 VanDerWaalsContact O-ND2 3.14Å; K1932-N1936 PolarHBondContact O-OD1 3.25Å; K1932-F1989 HydrophobicContact CG-CE1 4.42Å; K1932-F1989 HydrophobicContact CG-CZ 4.47Å |
| 1933 | D | 63.5 | Low | 61.1 | Low | 48.6 Ų | 48.6 | 46.5 Ų | 46.5 | 26% | 0.26 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | -179.9 | -63 | -32.4 | 0 | 0 | 0 | 111.8 | W1916 W1917 S1929 I1930 E1931 V1935 N1936 L1937 | W1916-D1933 HydrophobicContact CH2-CB 4.48Å; W1916-D1933 HydrophobicContact CZ2-CB 4.2Å; W1917-D1933 VanDerWaalsContact CE2-OD2 3.3Å; W1917-D1933 WeakPolarHBondContact CZ2-OD2 3Å; W1917-D1933 PolarHBondContact NE1-OD1 3.09Å; W1917-D1933 PolarHBondContact NE1-OD2 3.09Å; S1929-D1933 PolarHBondContact O-N 3.18Å; S1929-D1933 VanDerWaalsContact O-N 3.15Å; S1929-D1933 VanDerWaalsContact O-OD2 3.09Å; I1930-D1933 PolarHBondContact O-N 2.83Å; E1931-D1933 VanDerWaalsContact C-N 3.35Å; E1931-D1933 PolarHBondContact O-N 2.69Å; D1933-V1935 VanDerWaalsContact C-N 3.31Å; D1933-V1935 PolarHBondContact O-N 3.13Å; D1933-N1936 PolarHBondContact O-N 3.08Å; D1933-L1937 WeakPolarHBondContact O-CB 3.4Å; D1933-L1937 PolarHBondContact O-N 2.93Å |
| 1934 | Q | 69.2 | Low | 63.2 | Low | 29 Ų | 29 | 43.2 Ų | 43.2 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -39.4 | 172.8 | -71.3 | 178.1 | 4.9 | 0 | 0 | 112.2 | S1753 L1756 W1828 I1930 E1931 K1932 L1937 F1938 | S1753-Q1934 VanDerWaalsContact CB-NE2 3.3Å; S1753-Q1934 WeakPolarHBondContact OG-CG 3.38Å; S1753-Q1934 PolarHBondContact OG-NE2 3.23Å; L1756-Q1934 HydrophobicContact CD1-CB 3.75Å; L1756-Q1934 HydrophobicContact CD1-CG 4.14Å; W1828-Q1934 HydrophobicContact CH2-CB 3.87Å; W1828-Q1934 HydrophobicContact CZ2-CB 4.17Å; I1930-Q1934 WeakPolarHBondContact O-CG 3.47Å; I1930-Q1934 PolarHBondContact O-N 3.23Å; I1930-Q1934 VanDerWaalsContact O-N 3.17Å; E1931-Q1934 PolarHBondContact O-N 3.38Å; K1932-Q1934 PolarHBondContact O-N 3.18Å; Q1934-L1937 PolarHBondContact O-N 3.3Å; Q1934-F1938 VanDerWaalsContact O-CB 3.28Å; Q1934-F1938 WeakPolarHBondContact O-CB 3.36Å; Q1934-F1938 PolarHBondContact O-N 3.28Å |
| 1935 | V | 71.9 | Confident | 65.1 | Low | 3.2 Ų | 3.2 | 37.1 Ų | 37.1 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | W1828 E1931 K1932 D1933 L1937 F1938 I1939 F1989 | W1828-V1935 HydrophobicContact CD2-CG2 4.23Å; W1828-V1935 HydrophobicContact CE3-CG2 3.9Å; W1828-V1935 HydrophobicContact CG-CG2 4.43Å; W1828-V1935 HydrophobicContact CH2-CB 4.49Å; W1828-V1935 HydrophobicContact CH2-CG2 4.18Å; W1828-V1935 HydrophobicContact CZ2-CG2 4.03Å; W1828-V1935 HydrophobicContact CZ3-CB 4.08Å; W1828-V1935 HydrophobicContact CZ3-CG1 4.34Å; W1828-V1935 HydrophobicContact CZ3-CG2 3.86Å; E1931-V1935 VanDerWaalsContact O-CG2 3.27Å; E1931-V1935 WeakPolarHBondContact O-CG2 3.28Å; E1931-V1935 PolarHBondContact O-N 3.08Å; E1931-V1935 VanDerWaalsContact O-N 3.13Å; K1932-V1935 WeakPolarHBondContact O-CB 3.42Å; K1932-V1935 PolarHBondContact O-N 3.24Å; K1932-V1935 VanDerWaalsContact O-N 3.11Å; D1933-V1935 VanDerWaalsContact C-N 3.31Å; D1933-V1935 PolarHBondContact O-N 3.13Å; V1935-L1937 VanDerWaalsContact C-N 3.27Å; V1935-L1937 PolarHBondContact O-N 3.37Å; V1935-F1938 WeakPolarHBondContact O-CB 3.41Å; V1935-F1938 PolarHBondContact O-N 3.32Å; V1935-I1939 HydrophobicContact CG1-CD1 3.79Å; V1935-I1939 HydrophobicContact CG1-CG1 4.32Å; V1935-I1939 VanDerWaalsContact O-CB 3.31Å; V1935-I1939 WeakPolarHBondContact O-CB 3.38Å; V1935-I1939 VanDerWaalsContact O-CG1 3.29Å; V1935-I1939 WeakPolarHBondContact O-CG1 3.3Å; V1935-I1939 PolarHBondContact O-N 3.19Å; V1935-F1989 HydrophobicContact CB-CD1 4.29Å; V1935-F1989 HydrophobicContact CB-CE1 4.36Å; V1935-F1989 HydrophobicContact CB-CG 4.37Å; V1935-F1989 HydrophobicContact CB-CZ 4.47Å; V1935-F1989 HydrophobicContact CG1-CB 4.09Å; V1935-F1989 HydrophobicContact CG1-CD1 3.66Å; V1935-F1989 HydrophobicContact CG1-CD2 4.41Å; V1935-F1989 HydrophobicContact CG1-CE1 4.18Å; V1935-F1989 HydrophobicContact CG1-CG 3.85Å; V1935-F1989 HydrophobicContact CG1-CZ 4.5Å; V1935-F1989 HydrophobicContact CG2-CB 4.38Å; V1935-F1989 HydrophobicContact CG2-CD1 4.06Å; V1935-F1989 HydrophobicContact CG2-CD2 3.87Å; V1935-F1989 HydrophobicContact CG2-CE1 4.16Å; V1935-F1989 HydrophobicContact CG2-CE2 3.88Å; V1935-F1989 HydrophobicContact CG2-CG 3.99Å; V1935-F1989 HydrophobicContact CG2-CZ 4.02Å |
| 1936 | N | 72 | Confident | 67.1 | Low | 59.8 Ų | 59.8 | 34.3 Ų | 34.3 | 32% | 0.32 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62 | -47.7 | 177.8 | -69.4 | -25.1 | 0 | 0 | 0 | 111 | T1913 K1932 D1933 F1938 I1939 E1940 | T1913-N1936 HydrophobicContact CG2-CB 4.32Å; K1932-N1936 WeakPolarHBondContact O-CB 3.27Å; K1932-N1936 VanDerWaalsContact O-CG 3.24Å; K1932-N1936 PolarHBondContact O-N 3.23Å; K1932-N1936 PolarHBondContact O-ND2 3.2Å; K1932-N1936 VanDerWaalsContact O-ND2 3.14Å; K1932-N1936 PolarHBondContact O-OD1 3.25Å; D1933-N1936 PolarHBondContact O-N 3.08Å; N1936-F1938 VanDerWaalsContact C-N 3.33Å; N1936-F1938 PolarHBondContact O-N 3.06Å; N1936-I1939 VanDerWaalsContact O-CB 3.28Å; N1936-I1939 WeakPolarHBondContact O-CB 3.28Å; N1936-I1939 PolarHBondContact O-N 3.13Å; N1936-I1939 VanDerWaalsContact O-N 3.15Å; N1936-E1940 WeakPolarHBondContact O-CG 3.27Å; N1936-E1940 PolarHBondContact O-N 2.94Å |
| 1937 | L | 74.3 | Confident | 68.7 | Low | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 174.3 | -179.8 | 105.6 | 0 | 0 | 0 | 111 | L1756 A1760 N1910 T1913 D1933 Q1934 V1935 I1939 E1940 L1941 | L1756-L1937 HydrophobicContact CB-CD2 3.84Å; L1756-L1937 HydrophobicContact CD2-CD2 4.41Å; L1756-L1937 HydrophobicContact CG-CD2 4.49Å; A1760-L1937 HydrophobicContact CB-CD1 4.47Å; N1910-L1937 WeakPolarHBondContact ND2-CD1 3.16Å; T1913-L1937 HydrophobicContact CG2-CD1 3.47Å; T1913-L1937 VanDerWaalsContact CG2-CD1 3.47Å; D1933-L1937 WeakPolarHBondContact O-CB 3.4Å; D1933-L1937 PolarHBondContact O-N 2.93Å; Q1934-L1937 PolarHBondContact O-N 3.3Å; V1935-L1937 VanDerWaalsContact C-N 3.27Å; V1935-L1937 PolarHBondContact O-N 3.37Å; L1937-I1939 VanDerWaalsContact C-N 3.33Å; L1937-I1939 PolarHBondContact O-N 2.95Å; L1937-E1940 WeakPolarHBondContact O-CB 3.3Å; L1937-E1940 PolarHBondContact O-N 3.26Å; L1937-E1940 VanDerWaalsContact O-N 3.13Å; L1937-L1941 HydrophobicContact CD1-CD1 4.41Å; L1937-L1941 HydrophobicContact CD1-CD2 4.32Å; L1937-L1941 HydrophobicContact CD1-CG 4.17Å; L1937-L1941 HydrophobicContact CD2-CD1 3.63Å; L1937-L1941 HydrophobicContact CD2-CG 4.31Å; L1937-L1941 HydrophobicContact CG-CD1 4.34Å; L1937-L1941 HydrophobicContact CG-CG 4.47Å; L1937-L1941 WeakPolarHBondContact O-CB 3.24Å; L1937-L1941 WeakPolarHBondContact O-CD1 3.32Å; L1937-L1941 VanDerWaalsContact O-CG 3.3Å; L1937-L1941 WeakPolarHBondContact O-CG 3.34Å; L1937-L1941 PolarHBondContact O-N 3.09Å |
| 1938 | F | 79.6 | Confident | 70.2 | Confident | 4.6 Ų | 4.6 | 29.4 Ų | 29.4 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 175.6 | -179.4 | -101.3 | 0 | 0 | 0 | 112.9 | L1756 L1759 F1819 W1828 Q1934 V1935 N1936 E1940 L1941 L1942 W1975 F1978 W1986 L1993 | L1756-F1938 HydrophobicContact CD2-CB 3.86Å; L1756-F1938 HydrophobicContact CD2-CD2 3.88Å; L1756-F1938 HydrophobicContact CD2-CG 4.28Å; L1759-F1938 HydrophobicContact CD2-CD2 4.34Å; L1759-F1938 HydrophobicContact CD2-CE2 4.25Å; F1819-F1938 HydrophobicContact CD1-CD2 4.19Å; F1819-F1938 AromaticContact CD1-CE2 3.9Å; F1819-F1938 HydrophobicContact CD1-CE2 3.98Å; F1819-F1938 HydrophobicContact CE1-CD1 4.45Å; F1819-F1938 AromaticContact CE1-CD2 3.52Å; F1819-F1938 HydrophobicContact CE1-CD2 3.52Å; F1819-F1938 VanDerWaalsContact CE1-CD2 3.45Å; F1819-F1938 HydrophobicContact CE1-CE1 4.37Å; F1819-F1938 AromaticContact CE1-CE2 3.48Å; F1819-F1938 HydrophobicContact CE1-CE2 3.48Å; F1819-F1938 VanDerWaalsContact CE1-CE2 3.45Å; F1819-F1938 HydrophobicContact CE1-CG 4.14Å; F1819-F1938 AromaticContact CE1-CZ 3.89Å; F1819-F1938 HydrophobicContact CE1-CZ 4.07Å; F1819-F1938 HydrophobicContact CE2-CE2 4.37Å; F1819-F1938 AromaticContact CZ-CD2 3.81Å; F1819-F1938 HydrophobicContact CZ-CD2 4.05Å; F1819-F1938 AromaticContact CZ-CE2 3.77Å; F1819-F1938 HydrophobicContact CZ-CE2 4.14Å; F1819-F1938 HydrophobicContact CZ-CG 4.33Å; F1819-F1938 HydrophobicContact CZ-CZ 4.18Å; W1828-F1938 AromaticContact CH2-CD1 3.57Å; W1828-F1938 HydrophobicContact CH2-CD1 4.02Å; W1828-F1938 AromaticContact CH2-CE1 3.98Å; W1828-F1938 HydrophobicContact CH2-CE1 3.98Å; W1828-F1938 HydrophobicContact CH2-CG 4.14Å; W1828-F1938 HydrophobicContact CZ3-CD1 4.23Å; W1828-F1938 HydrophobicContact CZ3-CE1 4.29Å; Q1934-F1938 VanDerWaalsContact O-CB 3.28Å; Q1934-F1938 WeakPolarHBondContact O-CB 3.36Å; Q1934-F1938 PolarHBondContact O-N 3.28Å; V1935-F1938 WeakPolarHBondContact O-CB 3.41Å; V1935-F1938 PolarHBondContact O-N 3.32Å; N1936-F1938 VanDerWaalsContact C-N 3.33Å; N1936-F1938 PolarHBondContact O-N 3.06Å; F1938-E1940 VanDerWaalsContact C-N 3.32Å; F1938-E1940 PolarHBondContact O-N 3.26Å; F1938-L1941 WeakPolarHBondContact O-CB 3.43Å; F1938-L1941 PolarHBondContact O-N 3.12Å; F1938-L1942 HydrophobicContact CE1-CB 4.19Å; F1938-L1942 HydrophobicContact CE1-CD1 4.46Å; F1938-L1942 HydrophobicContact CE1-CD2 4.15Å; F1938-L1942 HydrophobicContact CE1-CG 4.46Å; F1938-L1942 HydrophobicContact CZ-CB 4.46Å; F1938-L1942 HydrophobicContact CZ-CD1 4.32Å; F1938-L1942 HydrophobicContact CZ-CD2 4.3Å; F1938-L1942 VanDerWaalsContact O-CB 3.29Å; F1938-L1942 WeakPolarHBondContact O-CB 3.28Å; F1938-L1942 PolarHBondContact O-N 3.12Å; F1938-W1975 HydrophobicContact CE2-CZ3 4.32Å; F1938-W1975 HydrophobicContact CZ-CZ3 4.3Å; F1938-F1978 HydrophobicContact CE1-CE1 4.28Å; F1938-F1978 AromaticContact CE2-CE1 3.88Å; F1938-F1978 HydrophobicContact CE2-CE1 4.01Å; F1938-F1978 AromaticContact CE2-CZ 3.8Å; F1938-F1978 HydrophobicContact CE2-CZ 4.11Å; F1938-F1978 HydrophobicContact CZ-CD1 4.3Å; F1938-F1978 AromaticContact CZ-CE1 3.64Å; F1938-F1978 HydrophobicContact CZ-CE1 3.64Å; F1938-F1978 VanDerWaalsContact CZ-CE1 3.45Å; F1938-F1978 AromaticContact CZ-CZ 3.9Å; F1938-F1978 HydrophobicContact CZ-CZ 3.97Å; F1938-W1986 AromaticContact CD1-CH2 3.23Å; F1938-W1986 HydrophobicContact CD1-CH2 3.23Å; F1938-W1986 AromaticContact CD1-CZ2 3.95Å; F1938-W1986 HydrophobicContact CD1-CZ2 4.07Å; F1938-W1986 AromaticContact CD1-CZ3 3.77Å; F1938-W1986 HydrophobicContact CD1-CZ3 3.86Å; F1938-W1986 HydrophobicContact CD2-CH2 4.38Å; F1938-W1986 AromaticContact CE1-CH2 3.19Å; F1938-W1986 HydrophobicContact CE1-CH2 3.19Å; F1938-W1986 AromaticContact CE1-CZ2 3.53Å; F1938-W1986 HydrophobicContact CE1-CZ2 3.53Å; F1938-W1986 VanDerWaalsContact CE1-CZ2 3.48Å; F1938-W1986 AromaticContact CE1-CZ3 3.91Å; F1938-W1986 HydrophobicContact CE1-CZ3 4.15Å; F1938-W1986 HydrophobicContact CE2-CH2 4.19Å; F1938-W1986 AromaticContact CG-CH2 3.83Å; F1938-W1986 HydrophobicContact CG-CH2 4.04Å; F1938-W1986 HydrophobicContact CG-CZ3 4.32Å; F1938-W1986 AromaticContact CZ-CH2 3.64Å; F1938-W1986 HydrophobicContact CZ-CH2 3.97Å; F1938-W1986 AromaticContact CZ-CZ2 3.85Å; F1938-W1986 HydrophobicContact CZ-CZ2 4.06Å; F1938-L1993 HydrophobicContact CD1-CD1 4.21Å; F1938-L1993 HydrophobicContact CD1-CD2 3.76Å; F1938-L1993 HydrophobicContact CE1-CD1 3.98Å; F1938-L1993 HydrophobicContact CE1-CD2 3.65Å; F1938-L1993 HydrophobicContact CE1-CG 4.43Å |
| 1939 | I | 78.3 | Confident | 71.2 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 14% | 0.138 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 176.3 | -84 | 172.9 | 0 | 0 | 0 | 111.2 | V1935 N1936 L1937 L1942 S1943 L1993 I1996 | V1935-I1939 HydrophobicContact CG1-CD1 3.79Å; V1935-I1939 HydrophobicContact CG1-CG1 4.32Å; V1935-I1939 VanDerWaalsContact O-CB 3.31Å; V1935-I1939 WeakPolarHBondContact O-CB 3.38Å; V1935-I1939 VanDerWaalsContact O-CG1 3.29Å; V1935-I1939 WeakPolarHBondContact O-CG1 3.3Å; V1935-I1939 PolarHBondContact O-N 3.19Å; N1936-I1939 VanDerWaalsContact O-CB 3.28Å; N1936-I1939 WeakPolarHBondContact O-CB 3.28Å; N1936-I1939 PolarHBondContact O-N 3.13Å; N1936-I1939 VanDerWaalsContact O-N 3.15Å; L1937-I1939 VanDerWaalsContact C-N 3.33Å; L1937-I1939 PolarHBondContact O-N 2.95Å; I1939-L1942 WeakPolarHBondContact O-CB 3.17Å; I1939-L1942 PolarHBondContact O-N 3.21Å; I1939-S1943 WeakPolarHBondContact O-CB 3.38Å; I1939-S1943 PolarHBondContact O-N 3.16Å; I1939-L1993 HydrophobicContact CD1-CD2 4.45Å; I1939-L1993 HydrophobicContact CG1-CD2 3.6Å; I1939-L1993 HydrophobicContact CG1-CG 4.42Å; I1939-I1996 HydrophobicContact CB-CD1 4.28Å; I1939-I1996 HydrophobicContact CD1-CD1 4.2Å; I1939-I1996 HydrophobicContact CG1-CD1 4.1Å; I1939-I1996 HydrophobicContact CG2-CD1 3.26Å; I1939-I1996 VanDerWaalsContact CG2-CD1 3.47Å; I1939-I1996 HydrophobicContact CG2-CG1 4.36Å |
| 1940 | E | 76.8 | Confident | 71.5 | Confident | 31.2 Ų | 31.2 | 26.9 Ų | 26.9 | 15% | 0.146 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.6 | -46 | 176.1 | -69.7 | 166 | -156.9 | 0 | 0 | 111.2 | P1905 A1909 N1910 N1936 L1937 F1938 L1942 S1943 I1944 | P1905-E1940 HydrophobicContact CB-CG 4.42Å; A1909-E1940 VanDerWaalsContact CB-CD 3.5Å; A1909-E1940 HydrophobicContact CB-CG 4.42Å; A1909-E1940 WeakPolarHBondContact CB-OE1 3.41Å; N1910-E1940 PolarHBondContact ND2-OE2 2.99Å; N1936-E1940 WeakPolarHBondContact O-CG 3.27Å; N1936-E1940 PolarHBondContact O-N 2.94Å; L1937-E1940 WeakPolarHBondContact O-CB 3.3Å; L1937-E1940 PolarHBondContact O-N 3.26Å; L1937-E1940 VanDerWaalsContact O-N 3.13Å; F1938-E1940 VanDerWaalsContact C-N 3.32Å; F1938-E1940 PolarHBondContact O-N 3.26Å; E1940-L1942 VanDerWaalsContact C-N 3.3Å; E1940-L1942 PolarHBondContact O-N 2.97Å; E1940-S1943 WeakPolarHBondContact O-CB 3.4Å; E1940-S1943 PolarHBondContact O-N 3.12Å; E1940-S1943 VanDerWaalsContact O-N 3.1Å; E1940-S1943 PolarHBondContact O-OG 3.23Å; E1940-I1944 WeakPolarHBondContact O-CG1 3.4Å; E1940-I1944 PolarHBondContact O-N 3.3Å; E1940-I1944 VanDerWaalsContact O-N 3.08Å |
| 1941 | L | 79.2 | Confident | 71.3 | Confident | 1.2 Ų | 1.2 | 29.5 Ų | 29.5 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -41.4 | 175.7 | -67.7 | -179.6 | 0 | 0 | 0 | 112.1 | L1756 L1759 A1760 I1763 L1906 L1937 F1938 S1943 I1944 G1945 | L1756-L1941 HydrophobicContact CD2-CD1 4.35Å; L1759-L1941 HydrophobicContact CB-CD1 4.18Å; L1759-L1941 HydrophobicContact CD2-CB 4.26Å; L1759-L1941 HydrophobicContact CD2-CD1 3.98Å; L1759-L1941 HydrophobicContact CD2-CG 4.49Å; L1759-L1941 HydrophobicContact CG-CD1 4.06Å; A1760-L1941 VanDerWaalsContact CA-CD2 3.44Å; A1760-L1941 HydrophobicContact CB-CD1 4Å; A1760-L1941 HydrophobicContact CB-CD2 3.65Å; A1760-L1941 HydrophobicContact CB-CG 4.4Å; I1763-L1941 HydrophobicContact CB-CD2 4.41Å; I1763-L1941 HydrophobicContact CD1-CB 3.77Å; I1763-L1941 HydrophobicContact CD1-CD1 4.25Å; I1763-L1941 HydrophobicContact CD1-CD2 3.95Å; I1763-L1941 HydrophobicContact CD1-CG 4.24Å; I1763-L1941 WeakPolarHBondContact CD1-O 3.41Å; I1763-L1941 HydrophobicContact CG1-CD2 4.47Å; L1906-L1941 HydrophobicContact CD1-CD2 3.83Å; L1906-L1941 HydrophobicContact CD2-CD2 3.92Å; L1906-L1941 HydrophobicContact CG-CD2 4.45Å; L1937-L1941 HydrophobicContact CD1-CD1 4.41Å; L1937-L1941 HydrophobicContact CD1-CD2 4.32Å; L1937-L1941 HydrophobicContact CD1-CG 4.17Å; L1937-L1941 HydrophobicContact CD2-CD1 3.63Å; L1937-L1941 HydrophobicContact CD2-CG 4.31Å; L1937-L1941 HydrophobicContact CG-CD1 4.34Å; L1937-L1941 HydrophobicContact CG-CG 4.47Å; L1937-L1941 WeakPolarHBondContact O-CB 3.24Å; L1937-L1941 WeakPolarHBondContact O-CD1 3.32Å; L1937-L1941 VanDerWaalsContact O-CG 3.3Å; L1937-L1941 WeakPolarHBondContact O-CG 3.34Å; L1937-L1941 PolarHBondContact O-N 3.09Å; F1938-L1941 WeakPolarHBondContact O-CB 3.43Å; F1938-L1941 PolarHBondContact O-N 3.12Å; L1941-S1943 VanDerWaalsContact C-N 3.31Å; L1941-S1943 PolarHBondContact O-N 3.23Å; L1941-I1944 PolarHBondContact O-N 3.17Å; L1941-G1945 PolarHBondContact O-N 3.04Å |
| 1942 | L | 81.1 | Confident | 70.5 | Confident | 0.8 Ų | 0.8 | 33.4 Ų | 33.4 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 175.3 | -172.7 | 66.7 | 0 | 0 | 0 | 111.9 | F1938 I1939 E1940 I1944 G1945 L1946 W1975 I1979 L1993 T1997 | F1938-L1942 HydrophobicContact CE1-CB 4.19Å; F1938-L1942 HydrophobicContact CE1-CD1 4.46Å; F1938-L1942 HydrophobicContact CE1-CD2 4.15Å; F1938-L1942 HydrophobicContact CE1-CG 4.46Å; F1938-L1942 HydrophobicContact CZ-CB 4.46Å; F1938-L1942 HydrophobicContact CZ-CD1 4.32Å; F1938-L1942 HydrophobicContact CZ-CD2 4.3Å; F1938-L1942 VanDerWaalsContact O-CB 3.29Å; F1938-L1942 WeakPolarHBondContact O-CB 3.28Å; F1938-L1942 PolarHBondContact O-N 3.12Å; I1939-L1942 WeakPolarHBondContact O-CB 3.17Å; I1939-L1942 PolarHBondContact O-N 3.21Å; E1940-L1942 VanDerWaalsContact C-N 3.3Å; E1940-L1942 PolarHBondContact O-N 2.97Å; L1942-I1944 VanDerWaalsContact C-N 3.32Å; L1942-I1944 PolarHBondContact O-N 3.05Å; L1942-G1945 PolarHBondContact O-N 3.35Å; L1942-L1946 HydrophobicContact CD1-CD1 4.24Å; L1942-L1946 HydrophobicContact CD1-CG 4.41Å; L1942-L1946 HydrophobicContact CG-CD1 4.33Å; L1942-L1946 WeakPolarHBondContact O-CB 3.42Å; L1942-L1946 WeakPolarHBondContact O-CG 3.32Å; L1942-L1946 PolarHBondContact O-N 2.98Å; L1942-L1946 VanDerWaalsContact O-N 3.13Å; L1942-W1975 HydrophobicContact CD1-CD2 4.45Å; L1942-W1975 HydrophobicContact CD1-CE3 3.73Å; L1942-W1975 HydrophobicContact CD1-CZ3 3.89Å; L1942-I1979 HydrophobicContact CD1-CD1 4.09Å; L1942-I1979 HydrophobicContact CD1-CG1 4.17Å; L1942-I1979 HydrophobicContact CD2-CD1 4.39Å; L1942-I1979 HydrophobicContact CD2-CG1 4.4Å; L1942-L1993 HydrophobicContact CD2-CD1 3.51Å; L1942-L1993 HydrophobicContact CD2-CD2 3.71Å; L1942-L1993 HydrophobicContact CD2-CG 4.39Å; L1942-T1997 HydrophobicContact CD1-CG2 4.23Å; L1942-T1997 HydrophobicContact CD2-CG2 3.75Å; L1942-T1997 HydrophobicContact CG-CG2 4.2Å |
| 1943 | S | 78.8 | Confident | 69.1 | Low | 27.8 Ų | 27.8 | 32.7 Ų | 32.7 | 19% | 0.194 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -35 | 177.3 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | I1939 E1940 L1941 L1946 L1947 Q2000 | I1939-S1943 WeakPolarHBondContact O-CB 3.38Å; I1939-S1943 PolarHBondContact O-N 3.16Å; E1940-S1943 WeakPolarHBondContact O-CB 3.4Å; E1940-S1943 PolarHBondContact O-N 3.12Å; E1940-S1943 VanDerWaalsContact O-N 3.1Å; E1940-S1943 PolarHBondContact O-OG 3.23Å; L1941-S1943 VanDerWaalsContact C-N 3.31Å; L1941-S1943 PolarHBondContact O-N 3.23Å; S1943-L1946 CarbonylContact O-C 3.58Å; S1943-L1946 PolarHBondContact O-N 2.99Å; S1943-L1947 PolarHBondContact O-N 3.22Å; S1943-Q2000 VanDerWaalsContact CA-NE2 3.28Å; S1943-Q2000 PolarHBondContact O-NE2 3.23Å |
| 1944 | I | 77.4 | Confident | 67.7 | Low | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.9 | -40.5 | 176 | -65 | 166.2 | 0 | 0 | 0 | 110.7 | I1763 H1767 P1905 L1906 E1940 L1941 L1942 L1946 L1947 F1965 | I1763-I1944 HydrophobicContact CG2-CB 4.33Å; I1763-I1944 HydrophobicContact CG2-CG2 3.66Å; H1767-I1944 HydrophobicContact CB-CG2 4.4Å; H1767-I1944 PolarHBondContact CE1-O 3.21Å; P1905-I1944 HydrophobicContact CG-CD1 4.42Å; P1905-I1944 HydrophobicContact CG-CG1 4.44Å; L1906-I1944 HydrophobicContact CB-CD1 3.58Å; L1906-I1944 VanDerWaalsContact CB-CD1 3.49Å; L1906-I1944 HydrophobicContact CD1-CD1 3.77Å; L1906-I1944 HydrophobicContact CD1-CG2 4.16Å; L1906-I1944 HydrophobicContact CD2-CD1 3.53Å; L1906-I1944 HydrophobicContact CG-CD1 4.04Å; E1940-I1944 WeakPolarHBondContact O-CG1 3.4Å; E1940-I1944 PolarHBondContact O-N 3.3Å; E1940-I1944 VanDerWaalsContact O-N 3.08Å; L1941-I1944 PolarHBondContact O-N 3.17Å; L1942-I1944 VanDerWaalsContact C-N 3.32Å; L1942-I1944 PolarHBondContact O-N 3.05Å; I1944-L1946 PolarHBondContact O-N 3.27Å; I1944-L1946 VanDerWaalsContact O-N 3.08Å; I1944-L1947 WeakPolarHBondContact O-CB 3.36Å; I1944-L1947 PolarHBondContact O-N 3.12Å; I1944-L1947 VanDerWaalsContact O-N 3.12Å; I1944-F1965 HydrophobicContact CD1-CD2 3.97Å; I1944-F1965 HydrophobicContact CD1-CE2 3.99Å; I1944-F1965 HydrophobicContact CG1-CD2 4.35Å; I1944-F1965 HydrophobicContact CG2-CB 4.23Å; I1944-F1965 HydrophobicContact CG2-CD2 4.12Å; I1944-F1965 HydrophobicContact CG2-CG 4.21Å |
| 1945 | G | 77 | Confident | 66 | Low | 0.2 Ų | 0.2 | 38.4 Ų | 38.4 | 0% | 0.002 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -25.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1941 L1942 H1972 W1975 | L1941-G1945 PolarHBondContact O-N 3.04Å; L1942-G1945 PolarHBondContact O-N 3.35Å; G1945-H1972 PolarHBondContact O-CD2 3.26Å; G1945-W1975 VanDerWaalsContact CA-CE2 3.48Å; G1945-W1975 VanDerWaalsContact O-CD1 3.25Å; G1945-W1975 PolarHBondContact O-NE1 2.85Å |
| 1946 | L | 78.5 | Confident | 64.2 | Low | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 16.4 | 174.7 | -63.5 | -178 | 0 | 0 | 0 | 113.4 | L1942 S1943 I1944 S1948 H1972 W1975 Y1976 I1979 T1997 Q2000 | L1942-L1946 HydrophobicContact CD1-CD1 4.24Å; L1942-L1946 HydrophobicContact CD1-CG 4.41Å; L1942-L1946 HydrophobicContact CG-CD1 4.33Å; L1942-L1946 WeakPolarHBondContact O-CB 3.42Å; L1942-L1946 WeakPolarHBondContact O-CG 3.32Å; L1942-L1946 PolarHBondContact O-N 2.98Å; L1942-L1946 VanDerWaalsContact O-N 3.13Å; S1943-L1946 CarbonylContact O-C 3.58Å; S1943-L1946 PolarHBondContact O-N 2.99Å; I1944-L1946 PolarHBondContact O-N 3.27Å; I1944-L1946 VanDerWaalsContact O-N 3.08Å; L1946-S1948 PolarHBondContact O-N 3.26Å; L1946-H1972 HydrophobicContact CD2-CB 4.5Å; L1946-H1972 PolarHBondContact O-CE1 2.98Å; L1946-W1975 HydrophobicContact CD2-CB 3.7Å; L1946-W1975 HydrophobicContact CD2-CG 4.19Å; L1946-W1975 HydrophobicContact CG-CB 4.44Å; L1946-Y1976 HydrophobicContact CD1-CE1 4.36Å; L1946-Y1976 HydrophobicContact CD2-CD1 4.03Å; L1946-Y1976 HydrophobicContact CD2-CE1 3.57Å; L1946-Y1976 VanDerWaalsContact CD2-CE1 3.46Å; L1946-Y1976 HydrophobicContact CG-CE1 4.46Å; L1946-I1979 HydrophobicContact CD1-CD1 3.95Å; L1946-I1979 HydrophobicContact CD2-CD1 4.28Å; L1946-T1997 HydrophobicContact CD1-CG2 4.03Å; L1946-Q2000 HydrophobicContact CB-CB 4.23Å; L1946-Q2000 HydrophobicContact CB-CG 3.73Å; L1946-Q2000 HydrophobicContact CD1-CB 4.42Å; L1946-Q2000 WeakPolarHBondContact O-CG 3.37Å; L1946-Q2000 PolarHBondContact O-NE2 3.07Å |
| 1947 | L | 77.9 | Confident | 62.3 | Low | 37 Ų | 37 | 49.1 Ų | 49.1 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 127.6 | -175.4 | -169.8 | 72.1 | 0 | 0 | 0 | 111.6 | S1943 I1944 S1963 F1965 A1967 H1972 Q2000 | S1943-L1947 PolarHBondContact O-N 3.22Å; I1944-L1947 WeakPolarHBondContact O-CB 3.36Å; I1944-L1947 PolarHBondContact O-N 3.12Å; I1944-L1947 VanDerWaalsContact O-N 3.12Å; L1947-S1963 WeakPolarHBondContact CD2-OG 3.44Å; L1947-F1965 HydrophobicContact CD2-CB 4.23Å; L1947-F1965 WeakPolarHBondContact CD2-O 3.41Å; L1947-A1967 HydrophobicContact CB-CB 4.46Å; L1947-A1967 HydrophobicContact CD2-CB 4.31Å; L1947-A1967 HydrophobicContact CG-CB 4.3Å; L1947-A1967 VanDerWaalsContact O-CB 3.24Å; L1947-A1967 WeakPolarHBondContact O-CB 3.27Å; L1947-H1972 PolarHBondContact O-NE2 3.33Å; L1947-Q2000 VanDerWaalsContact CA-NE2 3.31Å |
| 1948 | S | 69.3 | Low | 60.3 | Low | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 134.2 | 178 | 162.2 | 0 | 0 | 0 | 0 | 110.9 | L1946 S1950 Q2000 S2004 K2007 | L1946-S1948 PolarHBondContact O-N 3.26Å; S1948-S1950 PolarHBondContact O-N 2.88Å; S1948-Q2000 VanDerWaalsContact N-NE2 3.16Å; S1948-Q2000 PolarHBondContact OG-NE2 3.36Å; S1948-S2004 WeakPolarHBondContact OG-CA 3.35Å; S1948-K2007 PolarHBondContact O-NZ 3.09Å; S1948-K2007 VanDerWaalsContact OG-CD 3.29Å; S1948-K2007 WeakPolarHBondContact OG-CD 3.22Å; S1948-K2007 VanDerWaalsContact OG-CE 3.31Å; S1948-K2007 WeakPolarHBondContact OG-CE 3.32Å; S1948-K2007 PolarHBondContact OG-NZ 3.22Å |
| 1949 | P | 65.2 | Low | 58 | Low | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 134.7 | -176.7 | -3 | 4.2 | 0 | 0 | 0 | 112.5 | A1967 L1969 K2007 W2035 | P1949-A1967 VanDerWaalsContact CA-CB 3.41Å; P1949-A1967 HydrophobicContact CB-CB 3.92Å; P1949-A1967 HydrophobicContact CG-CB 3.96Å; P1949-L1969 HydrophobicContact CG-CD1 4.03Å; P1949-L1969 HydrophobicContact CG-CD2 4.46Å; P1949-L1969 HydrophobicContact CG-CG 4.36Å; P1949-K2007 WeakPolarHBondContact O-CD 3.37Å; P1949-K2007 PolarHBondContact O-NZ 2.84Å; P1949-K2007 VanDerWaalsContact O-NZ 3.16Å; P1949-W2035 HydrophobicContact CB-CZ2 3.91Å; P1949-W2035 HydrophobicContact CG-CD2 4.35Å; P1949-W2035 VanDerWaalsContact CG-CE2 3.47Å; P1949-W2035 HydrophobicContact CG-CH2 4.07Å; P1949-W2035 HydrophobicContact CG-CZ2 3.47Å; P1949-W2035 HydrophobicContact CG-CZ3 4.4Å |
| 1950 | S | 55.4 | Low | 55.9 | Low | 62 Ų | 62 | 65.4 Ų | 65.4 | 43% | 0.434 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 139.4 | 169.7 | 47.3 | 0 | 0 | 0 | 0 | 110.5 | S1948 | S1948-S1950 PolarHBondContact O-N 2.88Š|
| 1951 | P | 48.6 | Very low | 54.4 | Low | 94.4 Ų | 94.4 | 72.2 Ų | 72.2 | 61% | 0.613 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 144.2 | 170.2 | 28.8 | -33.3 | 0 | 0 | 0 | 110.1 | S1953 | P1951-S1953 PolarHBondContact O-N 2.98Å; P1951-S1953 VanDerWaalsContact O-N 3.16Å |
| 1952 | P | 43.4 | Very low | 53 | Low | 121 Ų | 121 | 76.1 Ų | 76.1 | 79% | 0.786 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 119.6 | 171.5 | 27.2 | -32.3 | 0 | 0 | 0 | 109.1 | S1954 | P1952-S1954 PolarHBondContact O-N 3.13Å; P1952-S1954 VanDerWaalsContact O-N 3.13Å |
| 1953 | S | 33.8 | Very low | 51.9 | Low | 97.2 Ų | 97.2 | 78.3 Ų | 78.3 | 68% | 0.68 | 46% | 0.464 | S | S | * | . | trans | -66.2 | 105.7 | 177.7 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | P1951 S1955 | P1951-S1953 PolarHBondContact O-N 2.98Å; P1951-S1953 VanDerWaalsContact O-N 3.16Å; S1953-S1955 VanDerWaalsContact C-N 3.26Å; S1953-S1955 PolarHBondContact O-N 2.85Å; S1953-S1955 VanDerWaalsContact O-N 3.1Å | ||
| 1954 | S | 33.5 | Very low | 51.1 | Low | 120.4 Ų | 120.4 | 77.8 Ų | 77.8 | 84% | 0.842 | 46% | 0.458 | S | S | * | . | trans | -76.9 | 69.7 | 172 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | P1952 | P1952-S1954 PolarHBondContact O-N 3.13Å; P1952-S1954 VanDerWaalsContact O-N 3.13Å | ||
| 1955 | S | 34.7 | Very low | 50.7 | Low | 77.2 Ų | 77.2 | 77.9 Ų | 77.9 | 54% | 0.54 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -156.1 | 136.6 | 174.5 | 38.1 | 0 | 0 | 0 | 0 | 111.1 | S1953 D1957 | S1953-S1955 VanDerWaalsContact C-N 3.26Å; S1953-S1955 PolarHBondContact O-N 2.85Å; S1953-S1955 VanDerWaalsContact O-N 3.1Å; S1955-D1957 PolarHBondContact O-N 3.11Å; S1955-D1957 VanDerWaalsContact O-N 3.12Å; S1955-D1957 PolarHBondContact OG-OD2 3.04Å |
| 1956 | N | 33.9 | Very low | 50.3 | Low | 161.8 Ų | 161.8 | 79.6 Ų | 79.6 | 87% | 0.865 | 47% | 0.468 | S | S | * | . | trans | -71.8 | 25.5 | -172.7 | -83.7 | -5.8 | 0 | 0 | 0 | 115.3 | N1958 | N1956-N1958 PolarHBondContact O-N 3.23Š| ||
| 1957 | D | 32.2 | Very low | 49.9 | Very low | 126 Ų | 126 | 80.4 Ų | 80.4 | 67% | 0.674 | 48% | 0.476 | S | S | * | . | trans | -87.8 | 111.2 | -176.7 | -67.7 | -33.5 | 0 | 0 | 0 | 110.6 | S1955 S1959 | S1955-D1957 PolarHBondContact O-N 3.11Å; S1955-D1957 VanDerWaalsContact O-N 3.12Å; S1955-D1957 PolarHBondContact OG-OD2 3.04Å; D1957-S1959 PolarHBondContact O-N 3.16Å | ||
| 1958 | N | 31.5 | Very low | 49.6 | Very low | 159.6 Ų | 159.6 | 79.8 Ų | 79.8 | 85% | 0.853 | 47% | 0.471 | S | S | * | . | trans | -65.2 | 62.4 | -175.9 | -73.6 | -46.3 | 0 | 0 | 0 | 114.2 | N1956 N1960 | N1956-N1958 PolarHBondContact O-N 3.23Å; N1958-N1960 PolarHBondContact O-N 3.25Å; N1958-N1960 VanDerWaalsContact O-N 3.13Å; N1958-N1960 PolarHBondContact O-ND2 2.97Å; N1958-N1960 VanDerWaalsContact O-ND2 3.16Å | ||
| 1959 | S | 31.7 | Very low | 49.8 | Very low | 87.4 Ų | 87.4 | 79.8 Ų | 79.8 | 61% | 0.611 | 47% | 0.47 | S | S | * | . | trans | -141.8 | 85.4 | 168 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | D1957 Y1961 | D1957-S1959 PolarHBondContact O-N 3.16Å; S1959-Y1961 PolarHBondContact O-N 3.23Å; S1959-Y1961 VanDerWaalsContact O-N 3.16Å | ||
| 1960 | N | 33.3 | Very low | 50.2 | Low | 137.4 Ų | 137.4 | 81.1 Ų | 81.1 | 74% | 0.735 | 48% | 0.476 | S | S | * | . | trans | -98.2 | 85.9 | 164.1 | -76.9 | -39.5 | 0 | 0 | 0 | 114.2 | N1958 T1962 | N1958-N1960 PolarHBondContact O-N 3.25Å; N1958-N1960 VanDerWaalsContact O-N 3.13Å; N1958-N1960 PolarHBondContact O-ND2 2.97Å; N1958-N1960 VanDerWaalsContact O-ND2 3.16Å; N1960-T1962 PolarHBondContact O-N 3.05Å | ||
| 1961 | Y | 46.1 | Very low | 51.2 | Low | 174.4 Ų | 174.4 | 78.2 Ų | 78.2 | 68% | 0.684 | 46% | 0.456 | S | S | * | . | trans | -85.3 | 83.3 | 172.3 | -55.7 | -73 | 0 | 0 | 0 | 113.6 | H1903 S1959 S1963 | H1903-Y1961 AromaticContact CD2-CD1 3.56Å; H1903-Y1961 AromaticContact CD2-CE1 3.71Å; H1903-Y1961 AromaticContact CG-CE1 3.97Å; H1903-Y1961 AromaticContact NE2-CD1 3.86Å; H1903-Y1961 AromaticContact NE2-CE1 3.53Å; H1903-Y1961 WeakPolarHBondContact NE2-CE1 3.39Å; H1903-Y1961 AromaticContact NE2-CZ 3.73Å; S1959-Y1961 PolarHBondContact O-N 3.23Å; S1959-Y1961 VanDerWaalsContact O-N 3.16Å; Y1961-S1963 PolarHBondContact O-N 3.41Å | ||
| 1962 | T | 50.1 | Low | 52.9 | Low | 81.8 Ų | 81.8 | 73.7 Ų | 73.7 | 50% | 0.502 | 43% | 0.427 | S | S | . | . | trans | -78.7 | 139.7 | 161 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | N1960 F1964 | N1960-T1962 PolarHBondContact O-N 3.05Å; T1962-F1964 PolarHBondContact O-N 3.05Å | ||
| 1963 | S | 57.7 | Low | 54.7 | Low | 48.4 Ų | 48.4 | 70.2 Ų | 70.2 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | trans | -61.6 | 135.3 | 174.1 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | E1904 L1947 Y1961 F1965 | E1904-S1963 VanDerWaalsContact OE1-C 3.26Å; E1904-S1963 WeakPolarHBondContact OE1-CA 3.34Å; E1904-S1963 VanDerWaalsContact OE1-CB 3.31Å; E1904-S1963 WeakPolarHBondContact OE1-CB 3.33Å; L1947-S1963 WeakPolarHBondContact CD2-OG 3.44Å; Y1961-S1963 PolarHBondContact O-N 3.41Å; S1963-F1965 PolarHBondContact O-N 3.08Å; S1963-F1965 VanDerWaalsContact O-N 3.14Å | ||
| 1964 | F | 61.7 | Low | 56.9 | Low | 16.2 Ų | 16.2 | 67.3 Ų | 67.3 | 7% | 0.071 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -68.6 | -32.2 | -179.4 | 179.8 | -89.2 | 0 | 0 | 0 | 112.9 | W1768 P1769 W1775 Y1778 A1900 L1901 E1904 T1962 | W1768-F1964 HydrophobicContact CD2-CE1 4.16Å; W1768-F1964 AromaticContact CE3-CE1 3.85Å; W1768-F1964 HydrophobicContact CE3-CE1 3.85Å; W1768-F1964 HydrophobicContact CE3-CZ 4.47Å; W1768-F1964 AromaticContact CH2-CE1 3.64Å; W1768-F1964 HydrophobicContact CH2-CE1 3.64Å; W1768-F1964 AromaticContact CH2-CZ 3.67Å; W1768-F1964 HydrophobicContact CH2-CZ 3.67Å; W1768-F1964 AromaticContact CZ2-CE1 3.96Å; W1768-F1964 HydrophobicContact CZ2-CE1 3.97Å; W1768-F1964 AromaticContact CZ2-CZ 3.7Å; W1768-F1964 HydrophobicContact CZ2-CZ 3.7Å; W1768-F1964 AromaticContact CZ3-CE1 3.58Å; W1768-F1964 HydrophobicContact CZ3-CE1 3.58Å; W1768-F1964 HydrophobicContact CZ3-CZ 4.12Å; P1769-F1964 VanDerWaalsContact CD-CE1 3.49Å; P1769-F1964 HydrophobicContact CG-CD1 4.39Å; P1769-F1964 HydrophobicContact CG-CE1 3.75Å; P1769-F1964 HydrophobicContact CG-CE2 4.22Å; P1769-F1964 HydrophobicContact CG-CZ 3.67Å; W1775-F1964 HydrophobicContact CD2-CD2 4.43Å; W1775-F1964 HydrophobicContact CE3-CD2 4.44Å; W1775-F1964 HydrophobicContact CE3-CE2 4.48Å; Y1778-F1964 HydrophobicContact CD2-CE2 4.21Å; Y1778-F1964 HydrophobicContact CG-CE2 4.47Å; A1900-F1964 HydrophobicContact CB-CB 4.47Å; A1900-F1964 HydrophobicContact CB-CD2 4.07Å; L1901-F1964 HydrophobicContact CD2-CB 4.11Å; L1901-F1964 HydrophobicContact CD2-CD1 3.33Å; L1901-F1964 HydrophobicContact CD2-CD2 4.08Å; L1901-F1964 HydrophobicContact CD2-CE1 3.67Å; L1901-F1964 HydrophobicContact CD2-CE2 4.35Å; L1901-F1964 HydrophobicContact CD2-CG 3.56Å; L1901-F1964 HydrophobicContact CD2-CZ 4.16Å; L1901-F1964 HydrophobicContact CG-CD1 4.4Å; L1901-F1964 HydrophobicContact CG-CD2 4.47Å; L1901-F1964 HydrophobicContact CG-CG 4.37Å; E1904-F1964 HydrophobicContact CG-CB 4.09Å; E1904-F1964 PolarHBondContact OE1-N 3.05Å; T1962-F1964 PolarHBondContact O-N 3.05Å |
| 1965 | F | 68.7 | Low | 59.2 | Low | 11.6 Ų | 11.6 | 61.6 Ų | 61.6 | 5% | 0.051 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -76.4 | 131.6 | -179.9 | -69.7 | -60.2 | 0 | 0 | 0 | 112 | M1764 H1767 W1768 E1904 L1906 F1907 I1944 L1947 S1963 | M1764-F1965 HydrophobicContact CG-CE1 4.34Å; M1764-F1965 HydrophobicContact CG-CZ 4.13Å; H1767-F1965 HydrophobicContact CB-CB 4.12Å; H1767-F1965 HydrophobicContact CB-CD1 4.03Å; H1767-F1965 HydrophobicContact CB-CG 4.38Å; W1768-F1965 HydrophobicContact CE3-CE1 4.47Å; E1904-F1965 HydrophobicContact CB-CE2 4.36Å; E1904-F1965 HydrophobicContact CG-CD2 4.12Å; E1904-F1965 HydrophobicContact CG-CE2 4.08Å; E1904-F1965 VanDerWaalsContact OE2-CD2 3.29Å; E1904-F1965 WeakPolarHBondContact OE2-CD2 3.35Å; L1906-F1965 HydrophobicContact CB-CE2 4.47Å; L1906-F1965 HydrophobicContact CD1-CD2 4.37Å; L1906-F1965 HydrophobicContact CD1-CE1 4.48Å; L1906-F1965 HydrophobicContact CD1-CE2 4.17Å; L1906-F1965 HydrophobicContact CD1-CZ 3.96Å; L1906-F1965 HydrophobicContact CG-CE2 4.49Å; F1907-F1965 HydrophobicContact CE2-CE2 4.33Å; F1907-F1965 AromaticContact CE2-CZ 3.91Å; F1907-F1965 HydrophobicContact CE2-CZ 4.01Å; F1907-F1965 HydrophobicContact CZ-CZ 4.43Å; I1944-F1965 HydrophobicContact CD1-CD2 3.97Å; I1944-F1965 HydrophobicContact CD1-CE2 3.99Å; I1944-F1965 HydrophobicContact CG1-CD2 4.35Å; I1944-F1965 HydrophobicContact CG2-CB 4.23Å; I1944-F1965 HydrophobicContact CG2-CD2 4.12Å; I1944-F1965 HydrophobicContact CG2-CG 4.21Å; L1947-F1965 HydrophobicContact CD2-CB 4.23Å; L1947-F1965 WeakPolarHBondContact CD2-O 3.41Å; S1963-F1965 PolarHBondContact O-N 3.08Å; S1963-F1965 VanDerWaalsContact O-N 3.14Å |
| 1966 | T | 68.6 | Low | 61.6 | Low | 35.2 Ų | 35.2 | 58.1 Ų | 58.1 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 131.1 | 175.1 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | H1767 P1769 D1772 R1968 | H1767-T1966 VanDerWaalsContact C-OG1 3.3Å; H1767-T1966 PolarHBondContact ND1-O 2.84Å; H1767-T1966 PolarHBondContact O-N 3.19Å; H1767-T1966 PolarHBondContact O-OG1 3.14Å; P1769-T1966 HydrophobicContact CB-CG2 3.86Å; D1772-T1966 WeakPolarHBondContact OD2-CG2 3.36Å; T1966-R1968 PolarHBondContact O-N 3.17Å |
| 1967 | A | 70.3 | Confident | 63.8 | Low | 20 Ų | 20 | 52.2 Ų | 52.2 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 124.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1947 P1949 L1969 | L1947-A1967 HydrophobicContact CB-CB 4.46Å; L1947-A1967 HydrophobicContact CD2-CB 4.31Å; L1947-A1967 HydrophobicContact CG-CB 4.3Å; L1947-A1967 VanDerWaalsContact O-CB 3.24Å; L1947-A1967 WeakPolarHBondContact O-CB 3.27Å; P1949-A1967 VanDerWaalsContact CA-CB 3.41Å; P1949-A1967 HydrophobicContact CB-CB 3.92Å; P1949-A1967 HydrophobicContact CG-CB 3.96Å; A1967-L1969 PolarHBondContact O-N 3.33Å |
| 1968 | R | 72.2 | Confident | 66.2 | Low | 23.4 Ų | 23.4 | 46.7 Ų | 46.7 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | trans | -115.5 | 81.5 | -178 | -82.1 | -159.1 | 54.8 | -178.7 | -4.2 | 111.8 | V1766 T1809 T1966 D1970 L1971 H1972 | V1766-R1968 VanDerWaalsContact O-CD 3.26Å; V1766-R1968 WeakPolarHBondContact O-CD 3.37Å; V1766-R1968 PolarHBondContact O-NH1 3.16Å; T1809-R1968 PolarHBondContact OG1-NH2 2.79Å; T1809-R1968 VanDerWaalsContact OG1-NH2 3.14Å; T1966-R1968 PolarHBondContact O-N 3.17Å; R1968-D1970 VanDerWaalsContact CB-OD1 3.25Å; R1968-D1970 WeakPolarHBondContact CB-OD1 3.33Å; R1968-D1970 IonicContact CZ-OD1 3.19Å; R1968-D1970 IonicContact CZ-OD2 3.37Å; R1968-D1970 IonicContact NE-OD1 3.01Å; R1968-D1970 PolarHBondContact NE-OD1 3.1Å; R1968-D1970 VanDerWaalsContact NE-OD1 3.09Å; R1968-D1970 IonicContact NE-OD2 3.61Å; R1968-D1970 PolarHBondContact NE-OD2 3.44Å; R1968-D1970 IonicContact NH2-OD1 3.57Å; R1968-D1970 IonicContact NH2-OD2 2.92Å; R1968-D1970 PolarHBondContact NH2-OD2 3.13Å; R1968-D1970 PolarHBondContact O-N 3.01Å; R1968-D1970 VanDerWaalsContact O-N 3.12Å; R1968-L1971 HydrophobicContact CB-CB 4.5Å; R1968-L1971 HydrophobicContact CB-CD1 3.82Å; R1968-L1971 HydrophobicContact CB-CG 4.08Å; R1968-L1971 HydrophobicContact CG-CD1 4.47Å; R1968-L1971 WeakPolarHBondContact O-CB 3.39Å; R1968-L1971 PolarHBondContact O-N 3.09Å; R1968-L1971 VanDerWaalsContact O-N 3.11Å; R1968-H1972 PolarHBondContact O-CD2 2.97Å | ||
| 1969 | L | 73.6 | Confident | 68.6 | Low | 6.2 Ų | 6.2 | 39.2 Ų | 39.2 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -60.3 | -21.6 | 179.7 | -59.4 | 177.8 | 0 | 0 | 0 | 113.2 | P1949 A1967 L1971 H1972 W2035 L2038 P2039 | P1949-L1969 HydrophobicContact CG-CD1 4.03Å; P1949-L1969 HydrophobicContact CG-CD2 4.46Å; P1949-L1969 HydrophobicContact CG-CG 4.36Å; A1967-L1969 PolarHBondContact O-N 3.33Å; L1969-L1971 VanDerWaalsContact C-N 3.27Å; L1969-L1971 PolarHBondContact O-N 3.06Å; L1969-H1972 VanDerWaalsContact CD2-CE1 3.48Å; L1969-H1972 WeakPolarHBondContact CD2-CE1 3.32Å; L1969-H1972 WeakPolarHBondContact O-CB 3.39Å; L1969-H1972 PolarHBondContact O-N 3.24Å; L1969-W2035 HydrophobicContact CD1-CD2 4.09Å; L1969-W2035 HydrophobicContact CD1-CE3 3.51Å; L1969-W2035 HydrophobicContact CD1-CH2 4.08Å; L1969-W2035 HydrophobicContact CD1-CZ2 4.38Å; L1969-W2035 HydrophobicContact CD1-CZ3 3.49Å; L1969-W2035 VanDerWaalsContact CD1-CZ3 3.44Å; L1969-L2038 HydrophobicContact CB-CD1 3.73Å; L1969-L2038 HydrophobicContact CD1-CD1 3.51Å; L1969-L2038 HydrophobicContact CG-CD1 4.21Å; L1969-P2039 WeakPolarHBondContact O-CD 3.41Å |
| 1970 | D | 72.7 | Confident | 70.9 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -64.5 | -24.4 | 174.7 | 64.5 | -46.5 | 0 | 0 | 0 | 113.5 | K1805 R1968 L2037 | K1805-D1970 WeakPolarHBondContact CE-OD2 3.11Å; K1805-D1970 IonicContact NZ-OD2 2.67Å; K1805-D1970 PolarHBondContact NZ-OD2 2.81Å; R1968-D1970 VanDerWaalsContact CB-OD1 3.25Å; R1968-D1970 WeakPolarHBondContact CB-OD1 3.33Å; R1968-D1970 IonicContact CZ-OD1 3.19Å; R1968-D1970 IonicContact CZ-OD2 3.37Å; R1968-D1970 IonicContact NE-OD1 3.01Å; R1968-D1970 PolarHBondContact NE-OD1 3.1Å; R1968-D1970 VanDerWaalsContact NE-OD1 3.09Å; R1968-D1970 IonicContact NE-OD2 3.61Å; R1968-D1970 PolarHBondContact NE-OD2 3.44Å; R1968-D1970 IonicContact NH2-OD1 3.57Å; R1968-D1970 IonicContact NH2-OD2 2.92Å; R1968-D1970 PolarHBondContact NH2-OD2 3.13Å; R1968-D1970 PolarHBondContact O-N 3.01Å; R1968-D1970 VanDerWaalsContact O-N 3.12Å; D1970-L2037 HydrophobicContact CB-CD2 4.38Å |
| 1971 | L | 77.7 | Confident | 73.1 | Confident | 1.4 Ų | 1.4 | 35.5 Ų | 35.5 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -92.6 | -13.7 | -179.1 | -58.1 | 178.4 | 0 | 0 | 0 | 113.7 | V1766 T1809 L1812 R1968 L1969 S1973 I1974 W1975 | V1766-L1971 HydrophobicContact CG1-CD1 3.28Å; T1809-L1971 HydrophobicContact CG2-CD2 3.51Å; T1809-L1971 VanDerWaalsContact CG2-CD2 3.48Å; T1809-L1971 WeakPolarHBondContact OG1-CD2 3.44Å; L1812-L1971 HydrophobicContact CD2-CB 4.44Å; L1812-L1971 HydrophobicContact CD2-CD1 4.09Å; L1812-L1971 HydrophobicContact CD2-CD2 4.32Å; R1968-L1971 HydrophobicContact CB-CB 4.5Å; R1968-L1971 HydrophobicContact CB-CD1 3.82Å; R1968-L1971 HydrophobicContact CB-CG 4.08Å; R1968-L1971 HydrophobicContact CG-CD1 4.47Å; R1968-L1971 WeakPolarHBondContact O-CB 3.39Å; R1968-L1971 PolarHBondContact O-N 3.09Å; R1968-L1971 VanDerWaalsContact O-N 3.11Å; L1969-L1971 VanDerWaalsContact C-N 3.27Å; L1969-L1971 PolarHBondContact O-N 3.06Å; L1971-S1973 VanDerWaalsContact C-N 3.27Å; L1971-S1973 PolarHBondContact O-N 3.18Å; L1971-I1974 HydrophobicContact CD2-CD1 4.14Å; L1971-I1974 WeakPolarHBondContact O-CB 3.28Å; L1971-I1974 PolarHBondContact O-N 3.18Å; L1971-I1974 VanDerWaalsContact O-N 3.12Å; L1971-W1975 PolarHBondContact O-N 3.24Å |
| 1972 | H | 83.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -37 | -174.5 | -79.2 | -154.2 | 0 | 0 | 0 | 112.6 | G1945 L1946 L1947 R1968 L1969 I1974 W1975 Y1976 Y2042 | G1945-H1972 PolarHBondContact O-CD2 3.26Å; L1946-H1972 HydrophobicContact CD2-CB 4.5Å; L1946-H1972 PolarHBondContact O-CE1 2.98Å; L1947-H1972 PolarHBondContact O-NE2 3.33Å; R1968-H1972 PolarHBondContact O-CD2 2.97Å; L1969-H1972 VanDerWaalsContact CD2-CE1 3.48Å; L1969-H1972 WeakPolarHBondContact CD2-CE1 3.32Å; L1969-H1972 WeakPolarHBondContact O-CB 3.39Å; L1969-H1972 PolarHBondContact O-N 3.24Å; H1972-I1974 VanDerWaalsContact C-N 3.28Å; H1972-I1974 PolarHBondContact O-N 3.12Å; H1972-W1975 CarbonylContact O-C 3.57Å; H1972-W1975 PolarHBondContact O-N 3.01Å; H1972-W1975 VanDerWaalsContact O-N 3.16Å; H1972-Y1976 HydrophobicContact CB-CD2 4.4Å; H1972-Y1976 HydrophobicContact CB-CE1 4.34Å; H1972-Y1976 HydrophobicContact CB-CE2 3.82Å; H1972-Y1976 AromaticContact ND1-CZ 3.95Å; H1972-Y1976 PolarHBondContact ND1-OH 3.34Å; H1972-Y1976 VanDerWaalsContact ND1-OH 3.16Å; H1972-Y1976 WeakPolarHBondContact O-CB 3.46Å; H1972-Y1976 WeakPolarHBondContact O-CD1 3.39Å; H1972-Y1976 VanDerWaalsContact O-CD2 3.27Å; H1972-Y1976 WeakPolarHBondContact O-CD2 3.36Å; H1972-Y1976 PolarHBondContact O-N 3.12Å; H1972-Y2042 HydrophobicContact CB-CE2 3.79Å; H1972-Y2042 AromaticContact CG-CE2 3.99Å; H1972-Y2042 AromaticContact ND1-CE2 3.81Å; H1972-Y2042 AromaticContact ND1-CZ 3.81Å; H1972-Y2042 PolarHBondContact ND1-OH 3.15Å; H1972-Y2042 VanDerWaalsContact ND1-OH 3.17Å |
| 1973 | S | 80.5 | Confident | 76.1 | Confident | 47.6 Ų | 47.6 | 23.4 Ų | 23.4 | 33% | 0.333 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.5 | -36.2 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 112.9 | L1971 Y1976 S1977 | L1971-S1973 VanDerWaalsContact C-N 3.27Å; L1971-S1973 PolarHBondContact O-N 3.18Å; S1973-Y1976 PolarHBondContact O-N 3.41Å; S1973-S1977 WeakPolarHBondContact O-CB 3.47Å; S1973-S1977 PolarHBondContact O-N 3.15Å |
| 1974 | I | 80.1 | Confident | 76.9 | Confident | 36.2 Ų | 36.2 | 21.8 Ų | 21.8 | 19% | 0.186 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.3 | -45.5 | 177.1 | -53.8 | 174.8 | 0 | 0 | 0 | 109.9 | T1809 L1812 Q1813 L1816 L1971 H1972 Y1976 S1977 F1978 | T1809-I1974 HydrophobicContact CG2-CD1 3.59Å; L1812-I1974 HydrophobicContact CD2-CB 4.4Å; L1812-I1974 HydrophobicContact CD2-CD1 3.97Å; L1812-I1974 HydrophobicContact CD2-CG2 4.21Å; Q1813-I1974 HydrophobicContact CB-CG2 4.39Å; Q1813-I1974 HydrophobicContact CG-CG2 4.16Å; L1816-I1974 HydrophobicContact CD1-CG2 3.83Å; L1816-I1974 VanDerWaalsContact CD1-CG2 3.48Å; L1971-I1974 HydrophobicContact CD2-CD1 4.14Å; L1971-I1974 WeakPolarHBondContact O-CB 3.28Å; L1971-I1974 PolarHBondContact O-N 3.18Å; L1971-I1974 VanDerWaalsContact O-N 3.12Å; H1972-I1974 VanDerWaalsContact C-N 3.28Å; H1972-I1974 PolarHBondContact O-N 3.12Å; I1974-Y1976 VanDerWaalsContact C-N 3.31Å; I1974-Y1976 PolarHBondContact O-N 3.1Å; I1974-S1977 PolarHBondContact O-N 3.16Å; I1974-F1978 WeakPolarHBondContact O-CB 3.27Å; I1974-F1978 PolarHBondContact O-N 3.1Å |
| 1975 | W | 83.3 | Confident | 77.4 | Confident | 0.4 Ų | 0.4 | 23.2 Ų | 23.2 | 0% | 0.002 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 175 | -74.6 | 107 | 0 | 0 | 0 | 112.2 | L1759 I1763 L1812 L1816 F1938 L1942 G1945 L1946 L1971 H1972 S1977 F1978 I1979 | L1759-W1975 HydrophobicContact CD2-CH2 4.2Å; I1763-W1975 HydrophobicContact CD1-CH2 3.82Å; I1763-W1975 HydrophobicContact CD1-CZ2 3.7Å; I1763-W1975 HydrophobicContact CG1-CZ2 4.24Å; L1812-W1975 HydrophobicContact CD1-CZ2 4.29Å; L1816-W1975 HydrophobicContact CD1-CD2 4.22Å; L1816-W1975 HydrophobicContact CD1-CE3 4.29Å; L1816-W1975 HydrophobicContact CD1-CZ2 4.48Å; L1816-W1975 HydrophobicContact CD1-CZ3 4.45Å; L1816-W1975 HydrophobicContact CD2-CE3 4.09Å; L1816-W1975 HydrophobicContact CD2-CH2 3.99Å; L1816-W1975 HydrophobicContact CD2-CZ2 4.45Å; L1816-W1975 HydrophobicContact CD2-CZ3 3.75Å; F1938-W1975 HydrophobicContact CE2-CZ3 4.32Å; F1938-W1975 HydrophobicContact CZ-CZ3 4.3Å; L1942-W1975 HydrophobicContact CD1-CD2 4.45Å; L1942-W1975 HydrophobicContact CD1-CE3 3.73Å; L1942-W1975 HydrophobicContact CD1-CZ3 3.89Å; G1945-W1975 VanDerWaalsContact CA-CE2 3.48Å; G1945-W1975 VanDerWaalsContact O-CD1 3.25Å; G1945-W1975 PolarHBondContact O-NE1 2.85Å; L1946-W1975 HydrophobicContact CD2-CB 3.7Å; L1946-W1975 HydrophobicContact CD2-CG 4.19Å; L1946-W1975 HydrophobicContact CG-CB 4.44Å; L1971-W1975 PolarHBondContact O-N 3.24Å; H1972-W1975 CarbonylContact O-C 3.57Å; H1972-W1975 PolarHBondContact O-N 3.01Å; H1972-W1975 VanDerWaalsContact O-N 3.16Å; W1975-S1977 VanDerWaalsContact C-N 3.35Å; W1975-S1977 PolarHBondContact O-N 3.35Å; W1975-F1978 HydrophobicContact CE3-CD1 4.23Å; W1975-F1978 HydrophobicContact CE3-CE1 4.48Å; W1975-F1978 HydrophobicContact CZ3-CD1 4.39Å; W1975-F1978 HydrophobicContact CZ3-CE1 4.38Å; W1975-F1978 WeakPolarHBondContact O-CB 3.45Å; W1975-F1978 PolarHBondContact O-N 3.09Å; W1975-F1978 VanDerWaalsContact O-N 3.14Å; W1975-I1979 WeakPolarHBondContact O-CB 3.35Å; W1975-I1979 VanDerWaalsContact O-CD1 3.3Å; W1975-I1979 WeakPolarHBondContact O-CD1 3.44Å; W1975-I1979 VanDerWaalsContact O-CG1 3.22Å; W1975-I1979 WeakPolarHBondContact O-CG1 3.29Å; W1975-I1979 PolarHBondContact O-N 3.13Å |
| 1976 | Y | 83.6 | Confident | 77.5 | Confident | 3.2 Ų | 3.2 | 22.8 Ų | 22.8 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 177.3 | -62.3 | -21 | 0 | 0 | 0 | 112.1 | L1946 H1972 S1973 I1974 F1978 I1979 F1980 I2001 Y2042 V2046 L2049 | L1946-Y1976 HydrophobicContact CD1-CE1 4.36Å; L1946-Y1976 HydrophobicContact CD2-CD1 4.03Å; L1946-Y1976 HydrophobicContact CD2-CE1 3.57Å; L1946-Y1976 VanDerWaalsContact CD2-CE1 3.46Å; L1946-Y1976 HydrophobicContact CG-CE1 4.46Å; H1972-Y1976 HydrophobicContact CB-CD2 4.4Å; H1972-Y1976 HydrophobicContact CB-CE1 4.34Å; H1972-Y1976 HydrophobicContact CB-CE2 3.82Å; H1972-Y1976 AromaticContact ND1-CZ 3.95Å; H1972-Y1976 PolarHBondContact ND1-OH 3.34Å; H1972-Y1976 VanDerWaalsContact ND1-OH 3.16Å; H1972-Y1976 WeakPolarHBondContact O-CB 3.46Å; H1972-Y1976 WeakPolarHBondContact O-CD1 3.39Å; H1972-Y1976 VanDerWaalsContact O-CD2 3.27Å; H1972-Y1976 WeakPolarHBondContact O-CD2 3.36Å; H1972-Y1976 PolarHBondContact O-N 3.12Å; S1973-Y1976 PolarHBondContact O-N 3.41Å; I1974-Y1976 VanDerWaalsContact C-N 3.31Å; I1974-Y1976 PolarHBondContact O-N 3.1Å; Y1976-F1978 VanDerWaalsContact C-N 3.33Å; Y1976-F1978 PolarHBondContact O-N 3.32Å; Y1976-I1979 HydrophobicContact CD1-CD1 4.37Å; Y1976-I1979 PolarHBondContact O-N 3.06Å; Y1976-F1980 WeakPolarHBondContact O-CB 3.24Å; Y1976-F1980 PolarHBondContact O-N 2.95Å; Y1976-F1980 VanDerWaalsContact O-N 3.12Å; Y1976-I2001 HydrophobicContact CE1-CD1 4.11Å; Y1976-I2001 HydrophobicContact CE1-CG1 3.9Å; Y1976-Y2042 HydrophobicContact CE2-CE2 4.31Å; Y1976-Y2042 PolarHBondContact OH-OH 3.26Å; Y1976-Y2042 VanDerWaalsContact OH-OH 3.09Å; Y1976-V2046 HydrophobicContact CE2-CG2 3.62Å; Y1976-L2049 HydrophobicContact CD1-CD2 3.29Å; Y1976-L2049 HydrophobicContact CD2-CD2 4.47Å; Y1976-L2049 HydrophobicContact CE1-CD2 4.01Å; Y1976-L2049 HydrophobicContact CG-CB 4.49Å; Y1976-L2049 HydrophobicContact CG-CD2 3.61Å |
| 1977 | S | 80.5 | Confident | 77.7 | Confident | 38.2 Ų | 38.2 | 21.4 Ų | 21.4 | 27% | 0.267 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 174.1 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | S1973 I1974 W1975 K1981 | S1973-S1977 WeakPolarHBondContact O-CB 3.47Å; S1973-S1977 PolarHBondContact O-N 3.15Å; I1974-S1977 PolarHBondContact O-N 3.16Å; W1975-S1977 VanDerWaalsContact C-N 3.35Å; W1975-S1977 PolarHBondContact O-N 3.35Å; S1977-K1981 WeakPolarHBondContact O-CB 3.27Å; S1977-K1981 WeakPolarHBondContact O-CD 3.44Å; S1977-K1981 VanDerWaalsContact O-CG 3.28Å; S1977-K1981 WeakPolarHBondContact O-CG 3.34Å; S1977-K1981 PolarHBondContact O-N 3.21Å; S1977-K1981 VanDerWaalsContact O-N 3.12Å; S1977-K1981 PolarHBondContact OG-NZ 3.05Å; S1977-K1981 VanDerWaalsContact OG-NZ 3.11Å |
| 1978 | F | 82.7 | Confident | 77.7 | Confident | 10.8 Ų | 10.8 | 25.4 Ų | 25.4 | 5% | 0.047 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 175.8 | 167.3 | -93.6 | 0 | 0 | 0 | 112.2 | L1816 F1819 N1820 L1823 F1938 I1974 W1975 Y1976 F1980 K1981 S1982 W1986 | L1816-F1978 HydrophobicContact CB-CD2 4.08Å; L1816-F1978 HydrophobicContact CB-CG 4.41Å; L1816-F1978 HydrophobicContact CD2-CD1 4.2Å; L1816-F1978 HydrophobicContact CD2-CD2 4.08Å; L1816-F1978 HydrophobicContact CD2-CE1 4.18Å; L1816-F1978 HydrophobicContact CD2-CE2 4.3Å; L1816-F1978 HydrophobicContact CD2-CG 4.08Å; L1816-F1978 HydrophobicContact CD2-CZ 4.35Å; L1816-F1978 WeakPolarHBondContact O-CD2 3.37Å; L1816-F1978 WeakPolarHBondContact O-CE2 3.46Å; F1819-F1978 AromaticContact CD1-CE2 3.94Å; F1819-F1978 HydrophobicContact CD1-CE2 3.97Å; F1819-F1978 AromaticContact CD1-CZ 3.72Å; F1819-F1978 HydrophobicContact CD1-CZ 3.72Å; F1819-F1978 HydrophobicContact CE1-CE2 4.19Å; F1819-F1978 AromaticContact CE1-CZ 3.87Å; F1819-F1978 HydrophobicContact CE1-CZ 4.03Å; N1820-F1978 HydrophobicContact CB-CD2 4.04Å; N1820-F1978 HydrophobicContact CB-CE2 3.88Å; N1820-F1978 WeakPolarHBondContact OD1-CE2 3.28Å; L1823-F1978 HydrophobicContact CD1-CE2 4.47Å; L1823-F1978 HydrophobicContact CD1-CZ 4.11Å; F1938-F1978 HydrophobicContact CE1-CE1 4.28Å; F1938-F1978 AromaticContact CE2-CE1 3.88Å; F1938-F1978 HydrophobicContact CE2-CE1 4.01Å; F1938-F1978 AromaticContact CE2-CZ 3.8Å; F1938-F1978 HydrophobicContact CE2-CZ 4.11Å; F1938-F1978 HydrophobicContact CZ-CD1 4.3Å; F1938-F1978 AromaticContact CZ-CE1 3.64Å; F1938-F1978 HydrophobicContact CZ-CE1 3.64Å; F1938-F1978 VanDerWaalsContact CZ-CE1 3.45Å; F1938-F1978 AromaticContact CZ-CZ 3.9Å; F1938-F1978 HydrophobicContact CZ-CZ 3.97Å; I1974-F1978 WeakPolarHBondContact O-CB 3.27Å; I1974-F1978 PolarHBondContact O-N 3.1Å; W1975-F1978 HydrophobicContact CE3-CD1 4.23Å; W1975-F1978 HydrophobicContact CE3-CE1 4.48Å; W1975-F1978 HydrophobicContact CZ3-CD1 4.39Å; W1975-F1978 HydrophobicContact CZ3-CE1 4.38Å; W1975-F1978 WeakPolarHBondContact O-CB 3.45Å; W1975-F1978 PolarHBondContact O-N 3.09Å; W1975-F1978 VanDerWaalsContact O-N 3.14Å; Y1976-F1978 VanDerWaalsContact C-N 3.33Å; Y1976-F1978 PolarHBondContact O-N 3.32Å; F1978-F1980 PolarHBondContact O-N 3.12Å; F1978-K1981 PolarHBondContact O-N 3.21Å; F1978-S1982 WeakPolarHBondContact CE1-OG 3.4Å; F1978-S1982 VanDerWaalsContact O-CB 3.3Å; F1978-S1982 WeakPolarHBondContact O-CB 3.35Å; F1978-S1982 PolarHBondContact O-N 3.04Å; F1978-S1982 PolarHBondContact O-OG 3.23Å; F1978-W1986 HydrophobicContact CE1-CZ2 4.19Å; F1978-W1986 HydrophobicContact CZ-CZ2 4.29Å |
| 1979 | I | 82.6 | Confident | 77.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 178.8 | -70.3 | 156.6 | 0 | 0 | 0 | 110.2 | L1942 L1946 W1975 Y1976 K1981 S1982 L1983 W1986 L1993 T1997 L2049 | L1942-I1979 HydrophobicContact CD1-CD1 4.09Å; L1942-I1979 HydrophobicContact CD1-CG1 4.17Å; L1942-I1979 HydrophobicContact CD2-CD1 4.39Å; L1942-I1979 HydrophobicContact CD2-CG1 4.4Å; L1946-I1979 HydrophobicContact CD1-CD1 3.95Å; L1946-I1979 HydrophobicContact CD2-CD1 4.28Å; W1975-I1979 WeakPolarHBondContact O-CB 3.35Å; W1975-I1979 VanDerWaalsContact O-CD1 3.3Å; W1975-I1979 WeakPolarHBondContact O-CD1 3.44Å; W1975-I1979 VanDerWaalsContact O-CG1 3.22Å; W1975-I1979 WeakPolarHBondContact O-CG1 3.29Å; W1975-I1979 PolarHBondContact O-N 3.13Å; Y1976-I1979 HydrophobicContact CD1-CD1 4.37Å; Y1976-I1979 PolarHBondContact O-N 3.06Å; I1979-K1981 VanDerWaalsContact C-N 3.3Å; I1979-K1981 PolarHBondContact O-N 3.2Å; I1979-S1982 WeakPolarHBondContact CA-OG 3.4Å; I1979-S1982 PolarHBondContact O-N 3.06Å; I1979-S1982 PolarHBondContact O-OG 3.14Å; I1979-L1983 WeakPolarHBondContact O-CB 3.26Å; I1979-L1983 PolarHBondContact O-N 3.14Å; I1979-L1983 VanDerWaalsContact O-N 3.14Å; I1979-W1986 HydrophobicContact CB-CH2 4.29Å; I1979-W1986 HydrophobicContact CB-CZ2 4.37Å; I1979-W1986 HydrophobicContact CG1-CH2 4.15Å; I1979-W1986 HydrophobicContact CG1-CZ2 4.36Å; I1979-W1986 HydrophobicContact CG2-CH2 3.75Å; I1979-W1986 HydrophobicContact CG2-CZ2 4.19Å; I1979-L1993 HydrophobicContact CG2-CD2 4.32Å; I1979-T1997 HydrophobicContact CD1-CG2 3.7Å; I1979-T1997 HydrophobicContact CG1-CG2 4.22Å; I1979-T1997 HydrophobicContact CG2-CG2 4.13Å; I1979-L2049 HydrophobicContact CD1-CD2 4.45Å; I1979-L2049 HydrophobicContact CG2-CD1 4.06Å; I1979-L2049 HydrophobicContact CG2-CD2 4.41Å |
| 1980 | F | 79.7 | Confident | 77.9 | Confident | 28.6 Ų | 28.6 | 26.7 Ų | 26.7 | 13% | 0.125 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | -178.7 | -169.9 | -104.2 | 0 | 0 | 0 | 112.4 | Y1976 F1978 S1982 L1983 L2049 G2052 P2100 A2106 I2109 | Y1976-F1980 WeakPolarHBondContact O-CB 3.24Å; Y1976-F1980 PolarHBondContact O-N 2.95Å; Y1976-F1980 VanDerWaalsContact O-N 3.12Å; F1978-F1980 PolarHBondContact O-N 3.12Å; F1980-S1982 VanDerWaalsContact C-N 3.32Å; F1980-S1982 PolarHBondContact O-N 3.18Å; F1980-L1983 WeakPolarHBondContact O-CB 3.36Å; F1980-L1983 PolarHBondContact O-N 2.76Å; F1980-L2049 HydrophobicContact CB-CD1 4.02Å; F1980-L2049 HydrophobicContact CD2-CD1 4.35Å; F1980-L2049 HydrophobicContact CG-CD1 4.5Å; F1980-G2052 VanDerWaalsContact CE2-CA 3.49Å; F1980-P2100 HydrophobicContact CD1-CG 3.63Å; F1980-P2100 HydrophobicContact CE1-CG 3.61Å; F1980-A2106 HydrophobicContact CZ-CB 4.35Å; F1980-I2109 HydrophobicContact CD1-CD1 4.36Å; F1980-I2109 HydrophobicContact CE1-CD1 4.1Å; F1980-I2109 HydrophobicContact CE2-CD1 4.32Å; F1980-I2109 HydrophobicContact CZ-CD1 4.01Å; F1980-I2109 WeakPolarHBondContact O-CD1 3.26Å |
| 1981 | K | 79.6 | Confident | 78.2 | Confident | 118.8 Ų | 118.8 | 25.2 Ų | 25.2 | 52% | 0.517 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -71.9 | -30.4 | 177.6 | -73.1 | 175.9 | 179.4 | 177.7 | 0 | 114 | N1820 S1977 F1978 I1979 L1983 Y1985 | N1820-K1981 WeakPolarHBondContact OD1-CB 3.18Å; S1977-K1981 WeakPolarHBondContact O-CB 3.27Å; S1977-K1981 WeakPolarHBondContact O-CD 3.44Å; S1977-K1981 VanDerWaalsContact O-CG 3.28Å; S1977-K1981 WeakPolarHBondContact O-CG 3.34Å; S1977-K1981 PolarHBondContact O-N 3.21Å; S1977-K1981 VanDerWaalsContact O-N 3.12Å; S1977-K1981 PolarHBondContact OG-NZ 3.05Å; S1977-K1981 VanDerWaalsContact OG-NZ 3.11Å; F1978-K1981 PolarHBondContact O-N 3.21Å; I1979-K1981 VanDerWaalsContact C-N 3.3Å; I1979-K1981 PolarHBondContact O-N 3.2Å; K1981-L1983 VanDerWaalsContact C-N 3.26Å; K1981-L1983 PolarHBondContact O-N 3.32Å; K1981-Y1985 WeakPolarHBondContact O-CE2 3.36Å |
| 1982 | S | 79.7 | Confident | 78.2 | Confident | 0.4 Ų | 0.4 | 27.6 Ų | 27.6 | 0% | 0.003 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -88 | -13.3 | -177.8 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | N1820 F1978 I1979 F1980 S1984 Y1985 W1986 | N1820-S1982 WeakPolarHBondContact OD1-CB 3.41Å; N1820-S1982 PolarHBondContact OD1-N 3.2Å; F1978-S1982 WeakPolarHBondContact CE1-OG 3.4Å; F1978-S1982 VanDerWaalsContact O-CB 3.3Å; F1978-S1982 WeakPolarHBondContact O-CB 3.35Å; F1978-S1982 PolarHBondContact O-N 3.04Å; F1978-S1982 PolarHBondContact O-OG 3.23Å; I1979-S1982 WeakPolarHBondContact CA-OG 3.4Å; I1979-S1982 PolarHBondContact O-N 3.06Å; I1979-S1982 PolarHBondContact O-OG 3.14Å; F1980-S1982 VanDerWaalsContact C-N 3.32Å; F1980-S1982 PolarHBondContact O-N 3.18Å; S1982-S1984 VanDerWaalsContact C-N 3.28Å; S1982-S1984 PolarHBondContact O-N 3.12Å; S1982-S1984 VanDerWaalsContact O-N 3.1Å; S1982-Y1985 WeakPolarHBondContact O-CA 3.41Å; S1982-Y1985 WeakPolarHBondContact O-CB 3.31Å; S1982-Y1985 VanDerWaalsContact O-CD2 3.31Å; S1982-Y1985 WeakPolarHBondContact O-CD2 3.38Å; S1982-Y1985 PolarHBondContact O-N 3.14Å; S1982-W1986 PolarHBondContact O-N 3.04Å; S1982-W1986 PolarHBondContact O-NE1 3.2Å; S1982-W1986 WeakPolarHBondContact OG-CZ2 3.49Å; S1982-W1986 PolarHBondContact OG-NE1 3.05Å; S1982-W1986 VanDerWaalsContact OG-NE1 3.12Å |
| 1983 | L | 78.7 | Confident | 78.1 | Confident | 1.4 Ų | 1.4 | 27.6 Ų | 27.6 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -53.2 | -37.7 | -169.5 | -170.5 | 61.3 | 0 | 0 | 0 | 114.2 | I1979 F1980 K1981 Y1985 W1986 I1990 L1993 I1994 I2053 T2056 F2057 I2109 | I1979-L1983 WeakPolarHBondContact O-CB 3.26Å; I1979-L1983 PolarHBondContact O-N 3.14Å; I1979-L1983 VanDerWaalsContact O-N 3.14Å; F1980-L1983 WeakPolarHBondContact O-CB 3.36Å; F1980-L1983 PolarHBondContact O-N 2.76Å; K1981-L1983 VanDerWaalsContact C-N 3.26Å; K1981-L1983 PolarHBondContact O-N 3.32Å; L1983-Y1985 VanDerWaalsContact C-N 3.29Å; L1983-Y1985 PolarHBondContact O-N 3.09Å; L1983-W1986 HydrophobicContact CD1-CD2 4.28Å; L1983-W1986 HydrophobicContact CD1-CE3 3.71Å; L1983-W1986 HydrophobicContact CD1-CH2 4.35Å; L1983-W1986 HydrophobicContact CD1-CZ3 3.75Å; L1983-I1990 HydrophobicContact CD1-CD1 4.02Å; L1983-I1990 HydrophobicContact CD1-CG1 3.95Å; L1983-I1990 HydrophobicContact CG-CD1 4.22Å; L1983-I1990 HydrophobicContact CG-CG1 4.45Å; L1983-I1990 VanDerWaalsContact O-CD1 3.25Å; L1983-I1990 WeakPolarHBondContact O-CD1 3.35Å; L1983-L1993 HydrophobicContact CD1-CD2 4.24Å; L1983-I1994 HydrophobicContact CD1-CD1 4.28Å; L1983-I1994 HydrophobicContact CD1-CG1 4.36Å; L1983-I2053 HydrophobicContact CD2-CG1 4.38Å; L1983-T2056 HydrophobicContact CD2-CG2 4.35Å; L1983-F2057 HydrophobicContact CD1-CE2 4.16Å; L1983-F2057 HydrophobicContact CD1-CZ 4.11Å; L1983-F2057 HydrophobicContact CD2-CE2 3.83Å; L1983-F2057 HydrophobicContact CD2-CZ 3.98Å; L1983-F2057 HydrophobicContact CG-CE2 4.29Å; L1983-F2057 HydrophobicContact CG-CZ 4.06Å; L1983-I2109 HydrophobicContact CB-CD1 4.35Å; L1983-I2109 HydrophobicContact CB-CG2 4.35Å; L1983-I2109 HydrophobicContact CD2-CD1 4.48Å; L1983-I2109 HydrophobicContact CD2-CG2 4.26Å; L1983-I2109 HydrophobicContact CG-CG2 4.26Å |
| 1984 | S | 74.2 | Confident | 78.2 | Confident | 16.2 Ų | 16.2 | 25.7 Ų | 25.7 | 11% | 0.113 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -68.9 | -17.2 | 177.8 | 47.6 | 0 | 0 | 0 | 0 | 114.5 | Y1829 S1982 L2113 | Y1829-S1984 PolarHBondContact OH-O 3.29Å; Y1829-S1984 VanDerWaalsContact OH-O 3.13Å; S1982-S1984 VanDerWaalsContact C-N 3.28Å; S1982-S1984 PolarHBondContact O-N 3.12Å; S1982-S1984 VanDerWaalsContact O-N 3.1Å; S1984-L2113 WeakPolarHBondContact O-CD2 3.26Å |
| 1985 | Y | 72.4 | Confident | 78.4 | Confident | 44.2 Ų | 44.2 | 29.5 Ų | 29.5 | 17% | 0.173 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -104 | -4.2 | -171.7 | -50.7 | -65 | 0 | 0 | 0 | 114.5 | L1823 H1824 L1825 K1826 P1827 W1828 Y1829 K1981 S1982 L1983 G1987 | L1823-Y1985 HydrophobicContact CB-CD2 4.46Å; L1823-Y1985 WeakPolarHBondContact O-CB 3.27Å; H1824-Y1985 HydrophobicContact CB-CD1 4.44Å; H1824-Y1985 HydrophobicContact CB-CD2 4.4Å; H1824-Y1985 HydrophobicContact CB-CE1 4.37Å; H1824-Y1985 HydrophobicContact CB-CE2 4.19Å; H1824-Y1985 AromaticContact CD2-CD2 3.6Å; H1824-Y1985 AromaticContact CD2-CE1 3.54Å; H1824-Y1985 WeakPolarHBondContact CD2-CE1 3.45Å; H1824-Y1985 AromaticContact CD2-CE2 3.28Å; H1824-Y1985 WeakPolarHBondContact CD2-CE2 3.4Å; H1824-Y1985 AromaticContact CD2-CZ 3.57Å; H1824-Y1985 VanDerWaalsContact CD2-CZ 3.43Å; H1824-Y1985 PolarHBondContact CD2-OH 3.04Å; H1824-Y1985 VanDerWaalsContact CD2-OH 3.26Å; H1824-Y1985 AromaticContact CE1-CE2 3.49Å; H1824-Y1985 WeakPolarHBondContact CE1-CE2 3.05Å; H1824-Y1985 AromaticContact CE1-CZ 3.48Å; H1824-Y1985 PolarHBondContact CE1-OH 3.07Å; H1824-Y1985 AromaticContact CG-CE1 3.9Å; H1824-Y1985 AromaticContact CG-CE2 3.7Å; H1824-Y1985 AromaticContact CG-CZ 3.76Å; H1824-Y1985 AromaticContact ND1-CE1 3.79Å; H1824-Y1985 AromaticContact ND1-CE2 3.79Å; H1824-Y1985 AromaticContact ND1-CZ 3.43Å; H1824-Y1985 PolarHBondContact ND1-OH 3.2Å; H1824-Y1985 VanDerWaalsContact ND1-OH 3.16Å; H1824-Y1985 AromaticContact NE2-CD2 3.89Å; H1824-Y1985 AromaticContact NE2-CE2 3.17Å; H1824-Y1985 WeakPolarHBondContact NE2-CE2 3.44Å; H1824-Y1985 AromaticContact NE2-CZ 3.67Å; L1825-Y1985 HydrophobicContact CB-CD1 3.94Å; L1825-Y1985 HydrophobicContact CB-CD2 4.3Å; L1825-Y1985 HydrophobicContact CB-CE1 4.11Å; L1825-Y1985 HydrophobicContact CB-CG 4.05Å; L1825-Y1985 HydrophobicContact CD1-CD2 4.24Å; L1825-Y1985 HydrophobicContact CD1-CG 4.48Å; L1825-Y1985 WeakPolarHBondContact O-CE1 3.36Å; K1826-Y1985 HydrophobicContact CG-CD1 4.24Å; K1826-Y1985 WeakPolarHBondContact O-CD1 3.24Å; P1827-Y1985 HydrophobicContact CB-CE1 4.43Å; P1827-Y1985 HydrophobicContact CG-CD1 4.28Å; P1827-Y1985 HydrophobicContact CG-CE1 4.2Å; W1828-Y1985 PolarHBondContact N-O 3.01Å; Y1829-Y1985 VanDerWaalsContact CE2-O 3.3Å; Y1829-Y1985 WeakPolarHBondContact CE2-O 3.46Å; K1981-Y1985 WeakPolarHBondContact O-CE2 3.36Å; S1982-Y1985 WeakPolarHBondContact O-CA 3.41Å; S1982-Y1985 WeakPolarHBondContact O-CB 3.31Å; S1982-Y1985 VanDerWaalsContact O-CD2 3.31Å; S1982-Y1985 WeakPolarHBondContact O-CD2 3.38Å; S1982-Y1985 PolarHBondContact O-N 3.14Å; L1983-Y1985 VanDerWaalsContact C-N 3.29Å; L1983-Y1985 PolarHBondContact O-N 3.09Å; Y1985-G1987 VanDerWaalsContact C-N 3.25Å; Y1985-G1987 PolarHBondContact O-N 3.26Å |
| 1986 | W | 72.2 | Confident | 78.3 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | trans | -76.7 | -13.3 | -176.3 | -70.8 | 57.4 | 0 | 0 | 0 | 114.9 | F1819 L1823 W1828 F1938 F1978 I1979 S1982 L1983 W1988 F1989 I1990 L1993 I1994 T1997 | F1819-W1986 AromaticContact CE1-CH2 3.94Å; F1819-W1986 HydrophobicContact CE1-CH2 4.01Å; F1819-W1986 HydrophobicContact CE1-CZ2 4.38Å; F1819-W1986 HydrophobicContact CZ-CH2 4.39Å; L1823-W1986 HydrophobicContact CD1-CH2 4.08Å; L1823-W1986 HydrophobicContact CD1-CZ2 3.51Å; L1823-W1986 VanDerWaalsContact CD1-CZ2 3.49Å; L1823-W1986 HydrophobicContact CD2-CH2 4.42Å; L1823-W1986 HydrophobicContact CD2-CZ2 4.47Å; W1828-W1986 HydrophobicContact CE3-CE3 4.14Å; W1828-W1986 HydrophobicContact CE3-CH2 4.26Å; W1828-W1986 AromaticContact CE3-CZ3 3.53Å; W1828-W1986 HydrophobicContact CE3-CZ3 3.96Å; W1828-W1986 HydrophobicContact CH2-CH2 4.33Å; W1828-W1986 AromaticContact CH2-CZ3 3.86Å; W1828-W1986 HydrophobicContact CH2-CZ3 3.86Å; W1828-W1986 HydrophobicContact CZ3-CD2 4.49Å; W1828-W1986 AromaticContact CZ3-CE3 3.61Å; W1828-W1986 HydrophobicContact CZ3-CE3 4.05Å; W1828-W1986 HydrophobicContact CZ3-CH2 4.05Å; W1828-W1986 AromaticContact CZ3-CZ3 3.47Å; W1828-W1986 HydrophobicContact CZ3-CZ3 3.47Å; F1938-W1986 AromaticContact CD1-CH2 3.23Å; F1938-W1986 HydrophobicContact CD1-CH2 3.23Å; F1938-W1986 AromaticContact CD1-CZ2 3.95Å; F1938-W1986 HydrophobicContact CD1-CZ2 4.07Å; F1938-W1986 AromaticContact CD1-CZ3 3.77Å; F1938-W1986 HydrophobicContact CD1-CZ3 3.86Å; F1938-W1986 HydrophobicContact CD2-CH2 4.38Å; F1938-W1986 AromaticContact CE1-CH2 3.19Å; F1938-W1986 HydrophobicContact CE1-CH2 3.19Å; F1938-W1986 AromaticContact CE1-CZ2 3.53Å; F1938-W1986 HydrophobicContact CE1-CZ2 3.53Å; F1938-W1986 VanDerWaalsContact CE1-CZ2 3.48Å; F1938-W1986 AromaticContact CE1-CZ3 3.91Å; F1938-W1986 HydrophobicContact CE1-CZ3 4.15Å; F1938-W1986 HydrophobicContact CE2-CH2 4.19Å; F1938-W1986 AromaticContact CG-CH2 3.83Å; F1938-W1986 HydrophobicContact CG-CH2 4.04Å; F1938-W1986 HydrophobicContact CG-CZ3 4.32Å; F1938-W1986 AromaticContact CZ-CH2 3.64Å; F1938-W1986 HydrophobicContact CZ-CH2 3.97Å; F1938-W1986 AromaticContact CZ-CZ2 3.85Å; F1938-W1986 HydrophobicContact CZ-CZ2 4.06Å; F1978-W1986 HydrophobicContact CE1-CZ2 4.19Å; F1978-W1986 HydrophobicContact CZ-CZ2 4.29Å; I1979-W1986 HydrophobicContact CB-CH2 4.29Å; I1979-W1986 HydrophobicContact CB-CZ2 4.37Å; I1979-W1986 HydrophobicContact CG1-CH2 4.15Å; I1979-W1986 HydrophobicContact CG1-CZ2 4.36Å; I1979-W1986 HydrophobicContact CG2-CH2 3.75Å; I1979-W1986 HydrophobicContact CG2-CZ2 4.19Å; S1982-W1986 PolarHBondContact O-N 3.04Å; S1982-W1986 PolarHBondContact O-NE1 3.2Å; S1982-W1986 WeakPolarHBondContact OG-CZ2 3.49Å; S1982-W1986 PolarHBondContact OG-NE1 3.05Å; S1982-W1986 VanDerWaalsContact OG-NE1 3.12Å; L1983-W1986 HydrophobicContact CD1-CD2 4.28Å; L1983-W1986 HydrophobicContact CD1-CE3 3.71Å; L1983-W1986 HydrophobicContact CD1-CH2 4.35Å; L1983-W1986 HydrophobicContact CD1-CZ3 3.75Å; W1986-W1988 PolarHBondContact O-N 3.16Å; W1986-F1989 HydrophobicContact CE3-CB 4.28Å; W1986-F1989 WeakPolarHBondContact O-CB 3.05Å; W1986-F1989 PolarHBondContact O-N 3.25Å; W1986-I1990 HydrophobicContact CB-CB 4.1Å; W1986-I1990 HydrophobicContact CB-CG1 4.27Å; W1986-I1990 HydrophobicContact CE3-CG1 4.19Å; W1986-L1993 HydrophobicContact CB-CD1 4.04Å; W1986-L1993 HydrophobicContact CD2-CB 4.16Å; W1986-L1993 HydrophobicContact CD2-CD1 3.89Å; W1986-L1993 VanDerWaalsContact CD2-CD1 3.46Å; W1986-L1993 HydrophobicContact CD2-CD2 4.16Å; W1986-L1993 HydrophobicContact CD2-CG 4.46Å; W1986-L1993 HydrophobicContact CE3-CB 3.45Å; W1986-L1993 HydrophobicContact CE3-CD1 3.93Å; W1986-L1993 HydrophobicContact CE3-CG 4.23Å; W1986-L1993 HydrophobicContact CG-CD1 3.75Å; W1986-L1993 HydrophobicContact CG-CD2 4.04Å; W1986-L1993 HydrophobicContact CH2-CB 3.96Å; W1986-L1993 HydrophobicContact CH2-CD1 4.04Å; W1986-L1993 HydrophobicContact CZ2-CD1 4.06Å; W1986-L1993 HydrophobicContact CZ2-CD2 4Å; W1986-L1993 HydrophobicContact CZ2-CG 4.42Å; W1986-L1993 HydrophobicContact CZ3-CB 3.35Å; W1986-L1993 HydrophobicContact CZ3-CD1 4.27Å; W1986-L1993 HydrophobicContact CZ3-CG 4.33Å; W1986-I1994 HydrophobicContact CZ3-CG1 4.06Å; W1986-T1997 HydrophobicContact CH2-CG2 4.31Å | ||
| 1987 | G | 71.6 | Confident | 78.3 | Confident | 5.2 Ų | 5.2 | 31.3 Ų | 31.3 | 5% | 0.054 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | 54.7 | -125.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1829 Y1985 F1989 I1990 P2226 | Y1829-G1987 VanDerWaalsContact CZ-N 3.3Å; Y1829-G1987 WeakPolarHBondContact OH-CA 3.49Å; Y1829-G1987 PolarHBondContact OH-N 3.41Å; Y1985-G1987 VanDerWaalsContact C-N 3.25Å; Y1985-G1987 PolarHBondContact O-N 3.26Å; G1987-F1989 VanDerWaalsContact C-N 3.27Å; G1987-F1989 PolarHBondContact O-N 3.09Å; G1987-I1990 VanDerWaalsContact O-CB 3.27Å; G1987-I1990 WeakPolarHBondContact O-CB 3.38Å; G1987-I1990 VanDerWaalsContact O-CG2 3.22Å; G1987-I1990 WeakPolarHBondContact O-CG2 3.44Å; G1987-I1990 PolarHBondContact O-N 3.17Å; G1987-P2226 VanDerWaalsContact O-CB 3.29Å; G1987-P2226 WeakPolarHBondContact O-CB 3.32Å |
| 1988 | W | 69.9 | Low | 78.5 | Confident | 105.2 Ų | 105.2 | 30.2 Ų | 30.2 | 40% | 0.398 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -70.7 | -19.6 | -176.2 | -70.1 | 49.1 | 0 | 0 | 0 | 113.8 | Y1829 Y1831 C1832 W1986 I1990 L2224 Q2229 | Y1829-W1988 PolarHBondContact O-NE1 2.61Å; Y1831-W1988 HydrophobicContact CD1-CD2 4.29Å; Y1831-W1988 AromaticContact CD1-CE2 3.87Å; Y1831-W1988 HydrophobicContact CD1-CE3 4.39Å; Y1831-W1988 AromaticContact CD1-CH2 3.66Å; Y1831-W1988 HydrophobicContact CD1-CH2 3.66Å; Y1831-W1988 AromaticContact CD1-CZ2 3.47Å; Y1831-W1988 HydrophobicContact CD1-CZ2 3.47Å; Y1831-W1988 HydrophobicContact CD1-CZ3 4.22Å; Y1831-W1988 HydrophobicContact CD2-CZ2 4.05Å; Y1831-W1988 AromaticContact CE1-CH2 3.7Å; Y1831-W1988 HydrophobicContact CE1-CH2 3.91Å; Y1831-W1988 AromaticContact CE1-CZ2 3.93Å; Y1831-W1988 HydrophobicContact CE1-CZ2 4.2Å; Y1831-W1988 HydrophobicContact CE1-CZ3 4.23Å; Y1831-W1988 HydrophobicContact CE2-CZ2 4.15Å; Y1831-W1988 HydrophobicContact CG-CZ2 4.24Å; C1832-W1988 VanDerWaalsContact SG-CZ2 3.55Å; W1986-W1988 PolarHBondContact O-N 3.16Å; W1988-I1990 VanDerWaalsContact C-N 3.3Å; W1988-I1990 PolarHBondContact O-N 3.16Å; W1988-L2224 HydrophobicContact CH2-CB 4.15Å; W1988-L2224 HydrophobicContact CH2-CD2 4.48Å; W1988-L2224 WeakPolarHBondContact CH2-O 3.27Å; W1988-L2224 HydrophobicContact CZ3-CB 3.97Å; W1988-L2224 HydrophobicContact CZ3-CD2 4.03Å; W1988-L2224 HydrophobicContact CZ3-CG 4.31Å; W1988-L2224 WeakPolarHBondContact CZ3-O 3.45Å; W1988-Q2229 PolarHBondContact O-OE1 3.07Å |
| 1989 | F | 72.2 | Confident | 78.6 | Confident | 45.6 Ų | 45.6 | 34.7 Ų | 34.7 | 20% | 0.2 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -86.1 | -3.8 | -176.8 | -57.9 | -74.4 | 0 | 0 | 0 | 113.5 | W1828 K1932 V1935 W1986 G1987 G1991 S1992 L1993 | W1828-F1989 HydrophobicContact CB-CD2 4.19Å; W1828-F1989 HydrophobicContact CB-CE2 4.27Å; W1828-F1989 AromaticContact CE3-CD2 3.89Å; W1828-F1989 HydrophobicContact CE3-CD2 3.89Å; W1828-F1989 HydrophobicContact CE3-CE2 4.39Å; W1828-F1989 HydrophobicContact CG-CD2 4.38Å; W1828-F1989 HydrophobicContact CG-CE2 4.46Å; K1932-F1989 HydrophobicContact CG-CE1 4.42Å; K1932-F1989 HydrophobicContact CG-CZ 4.47Å; V1935-F1989 HydrophobicContact CB-CD1 4.29Å; V1935-F1989 HydrophobicContact CB-CE1 4.36Å; V1935-F1989 HydrophobicContact CB-CG 4.37Å; V1935-F1989 HydrophobicContact CB-CZ 4.47Å; V1935-F1989 HydrophobicContact CG1-CB 4.09Å; V1935-F1989 HydrophobicContact CG1-CD1 3.66Å; V1935-F1989 HydrophobicContact CG1-CD2 4.41Å; V1935-F1989 HydrophobicContact CG1-CE1 4.18Å; V1935-F1989 HydrophobicContact CG1-CG 3.85Å; V1935-F1989 HydrophobicContact CG1-CZ 4.5Å; V1935-F1989 HydrophobicContact CG2-CB 4.38Å; V1935-F1989 HydrophobicContact CG2-CD1 4.06Å; V1935-F1989 HydrophobicContact CG2-CD2 3.87Å; V1935-F1989 HydrophobicContact CG2-CE1 4.16Å; V1935-F1989 HydrophobicContact CG2-CE2 3.88Å; V1935-F1989 HydrophobicContact CG2-CG 3.99Å; V1935-F1989 HydrophobicContact CG2-CZ 4.02Å; W1986-F1989 HydrophobicContact CE3-CB 4.28Å; W1986-F1989 WeakPolarHBondContact O-CB 3.05Å; W1986-F1989 PolarHBondContact O-N 3.25Å; G1987-F1989 VanDerWaalsContact C-N 3.27Å; G1987-F1989 PolarHBondContact O-N 3.09Å; F1989-G1991 VanDerWaalsContact C-N 3.33Å; F1989-G1991 PolarHBondContact O-N 3.18Å; F1989-G1991 VanDerWaalsContact O-N 3.16Å; F1989-S1992 WeakPolarHBondContact O-CB 3.47Å; F1989-S1992 PolarHBondContact O-N 3.25Å; F1989-S1992 VanDerWaalsContact O-N 3.12Å; F1989-L1993 HydrophobicContact CB-CD1 4.19Å; F1989-L1993 PolarHBondContact O-N 3.14Å; F1989-L1993 VanDerWaalsContact O-N 3.13Å |
| 1990 | I | 79.5 | Confident | 78.6 | Confident | 9.6 Ų | 9.6 | 36.4 Ų | 36.4 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.5 | -39.1 | -176.8 | -163.3 | 164.1 | 0 | 0 | 0 | 113.2 | L1983 W1986 G1987 W1988 S1992 L1993 I1994 F2057 L2113 P2226 A2230 | L1983-I1990 HydrophobicContact CD1-CD1 4.02Å; L1983-I1990 HydrophobicContact CD1-CG1 3.95Å; L1983-I1990 HydrophobicContact CG-CD1 4.22Å; L1983-I1990 HydrophobicContact CG-CG1 4.45Å; L1983-I1990 VanDerWaalsContact O-CD1 3.25Å; L1983-I1990 WeakPolarHBondContact O-CD1 3.35Å; W1986-I1990 HydrophobicContact CB-CB 4.1Å; W1986-I1990 HydrophobicContact CB-CG1 4.27Å; W1986-I1990 HydrophobicContact CE3-CG1 4.19Å; G1987-I1990 VanDerWaalsContact O-CB 3.27Å; G1987-I1990 WeakPolarHBondContact O-CB 3.38Å; G1987-I1990 VanDerWaalsContact O-CG2 3.22Å; G1987-I1990 WeakPolarHBondContact O-CG2 3.44Å; G1987-I1990 PolarHBondContact O-N 3.17Å; W1988-I1990 VanDerWaalsContact C-N 3.3Å; W1988-I1990 PolarHBondContact O-N 3.16Å; I1990-S1992 VanDerWaalsContact C-N 3.32Å; I1990-S1992 PolarHBondContact O-N 3.04Å; I1990-L1993 WeakPolarHBondContact O-CB 3.48Å; I1990-L1993 PolarHBondContact O-N 3.1Å; I1990-I1994 HydrophobicContact CG1-CD1 3.95Å; I1990-I1994 HydrophobicContact CG1-CG1 4.48Å; I1990-I1994 WeakPolarHBondContact O-CB 3.38Å; I1990-I1994 WeakPolarHBondContact O-CD1 3.45Å; I1990-I1994 VanDerWaalsContact O-CG1 3.25Å; I1990-I1994 WeakPolarHBondContact O-CG1 3.43Å; I1990-I1994 PolarHBondContact O-N 3.15Å; I1990-F2057 HydrophobicContact CD1-CE1 4.11Å; I1990-F2057 HydrophobicContact CD1-CZ 3.67Å; I1990-F2057 HydrophobicContact CG1-CZ 4.24Å; I1990-L2113 HydrophobicContact CD1-CD1 3.95Å; I1990-L2113 HydrophobicContact CD1-CD2 4.33Å; I1990-P2226 HydrophobicContact CG2-CB 4.23Å; I1990-P2226 VanDerWaalsContact CG2-O 3.3Å; I1990-P2226 WeakPolarHBondContact CG2-O 3.22Å; I1990-A2230 HydrophobicContact CD1-CB 4.33Å; I1990-A2230 HydrophobicContact CG1-CB 4.14Å; I1990-A2230 HydrophobicContact CG2-CB 3.76Å |
| 1991 | G | 78.1 | Confident | 78.8 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1989 I1994 R1995 | F1989-G1991 VanDerWaalsContact C-N 3.33Å; F1989-G1991 PolarHBondContact O-N 3.18Å; F1989-G1991 VanDerWaalsContact O-N 3.16Å; G1991-I1994 PolarHBondContact O-N 2.85Å; G1991-R1995 VanDerWaalsContact O-CB 3.27Å; G1991-R1995 WeakPolarHBondContact O-CB 3.36Å; G1991-R1995 PolarHBondContact O-N 2.95Å |
| 1992 | S | 77.6 | Confident | 79 | Confident | 52 Ų | 52 | 29.8 Ų | 29.8 | 36% | 0.364 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.4 | -41 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | F1989 I1990 R1995 I1996 | F1989-S1992 WeakPolarHBondContact O-CB 3.47Å; F1989-S1992 PolarHBondContact O-N 3.25Å; F1989-S1992 VanDerWaalsContact O-N 3.12Å; I1990-S1992 VanDerWaalsContact C-N 3.32Å; I1990-S1992 PolarHBondContact O-N 3.04Å; S1992-R1995 WeakPolarHBondContact O-CB 3.49Å; S1992-R1995 PolarHBondContact O-N 2.99Å; S1992-I1996 WeakPolarHBondContact O-CB 3.4Å; S1992-I1996 WeakPolarHBondContact O-CD1 3.43Å; S1992-I1996 VanDerWaalsContact O-CG1 3.3Å; S1992-I1996 WeakPolarHBondContact O-CG1 3.31Å; S1992-I1996 PolarHBondContact O-N 3.1Å; S1992-I1996 VanDerWaalsContact O-N 3.14Å |
| 1993 | L | 81.3 | Confident | 79.1 | Confident | 1.6 Ų | 1.6 | 31.9 Ų | 31.9 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 177.2 | -136.4 | 115.4 | 0 | 0 | 0 | 111.6 | W1828 F1938 I1939 L1942 I1979 L1983 W1986 F1989 I1990 R1995 I1996 T1997 | W1828-L1993 HydrophobicContact CZ3-CD1 4.3Å; F1938-L1993 HydrophobicContact CD1-CD1 4.21Å; F1938-L1993 HydrophobicContact CD1-CD2 3.76Å; F1938-L1993 HydrophobicContact CE1-CD1 3.98Å; F1938-L1993 HydrophobicContact CE1-CD2 3.65Å; F1938-L1993 HydrophobicContact CE1-CG 4.43Å; I1939-L1993 HydrophobicContact CD1-CD2 4.45Å; I1939-L1993 HydrophobicContact CG1-CD2 3.6Å; I1939-L1993 HydrophobicContact CG1-CG 4.42Å; L1942-L1993 HydrophobicContact CD2-CD1 3.51Å; L1942-L1993 HydrophobicContact CD2-CD2 3.71Å; L1942-L1993 HydrophobicContact CD2-CG 4.39Å; I1979-L1993 HydrophobicContact CG2-CD2 4.32Å; L1983-L1993 HydrophobicContact CD1-CD2 4.24Å; W1986-L1993 HydrophobicContact CB-CD1 4.04Å; W1986-L1993 HydrophobicContact CD2-CB 4.16Å; W1986-L1993 HydrophobicContact CD2-CD1 3.89Å; W1986-L1993 VanDerWaalsContact CD2-CD1 3.46Å; W1986-L1993 HydrophobicContact CD2-CD2 4.16Å; W1986-L1993 HydrophobicContact CD2-CG 4.46Å; W1986-L1993 HydrophobicContact CE3-CB 3.45Å; W1986-L1993 HydrophobicContact CE3-CD1 3.93Å; W1986-L1993 HydrophobicContact CE3-CG 4.23Å; W1986-L1993 HydrophobicContact CG-CD1 3.75Å; W1986-L1993 HydrophobicContact CG-CD2 4.04Å; W1986-L1993 HydrophobicContact CH2-CB 3.96Å; W1986-L1993 HydrophobicContact CH2-CD1 4.04Å; W1986-L1993 HydrophobicContact CZ2-CD1 4.06Å; W1986-L1993 HydrophobicContact CZ2-CD2 4Å; W1986-L1993 HydrophobicContact CZ2-CG 4.42Å; W1986-L1993 HydrophobicContact CZ3-CB 3.35Å; W1986-L1993 HydrophobicContact CZ3-CD1 4.27Å; W1986-L1993 HydrophobicContact CZ3-CG 4.33Å; F1989-L1993 HydrophobicContact CB-CD1 4.19Å; F1989-L1993 PolarHBondContact O-N 3.14Å; F1989-L1993 VanDerWaalsContact O-N 3.13Å; I1990-L1993 WeakPolarHBondContact O-CB 3.48Å; I1990-L1993 PolarHBondContact O-N 3.1Å; L1993-R1995 VanDerWaalsContact C-N 3.33Å; L1993-R1995 PolarHBondContact O-N 3.07Å; L1993-I1996 PolarHBondContact O-N 3.1Å; L1993-T1997 HydrophobicContact CD1-CG2 4.08Å; L1993-T1997 HydrophobicContact CG-CG2 4.39Å; L1993-T1997 WeakPolarHBondContact O-CB 3.41Å; L1993-T1997 VanDerWaalsContact O-CG2 3.27Å; L1993-T1997 WeakPolarHBondContact O-CG2 3.44Å; L1993-T1997 PolarHBondContact O-N 3.15Å; L1993-T1997 PolarHBondContact O-OG1 3.1Å |
| 1994 | I | 83.7 | Confident | 79.2 | Confident | 7.4 Ų | 7.4 | 31.9 Ų | 31.9 | 4% | 0.038 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.7 | -70 | 165.4 | 0 | 0 | 0 | 110.6 | L1983 W1986 I1990 G1991 I1996 T1997 V1998 I2053 F2057 A2230 V2234 L2237 | L1983-I1994 HydrophobicContact CD1-CD1 4.28Å; L1983-I1994 HydrophobicContact CD1-CG1 4.36Å; W1986-I1994 HydrophobicContact CZ3-CG1 4.06Å; I1990-I1994 HydrophobicContact CG1-CD1 3.95Å; I1990-I1994 HydrophobicContact CG1-CG1 4.48Å; I1990-I1994 WeakPolarHBondContact O-CB 3.38Å; I1990-I1994 WeakPolarHBondContact O-CD1 3.45Å; I1990-I1994 VanDerWaalsContact O-CG1 3.25Å; I1990-I1994 WeakPolarHBondContact O-CG1 3.43Å; I1990-I1994 PolarHBondContact O-N 3.15Å; G1991-I1994 PolarHBondContact O-N 2.85Å; I1994-I1996 VanDerWaalsContact C-N 3.3Å; I1994-I1996 PolarHBondContact O-N 3.14Å; I1994-I1996 VanDerWaalsContact O-N 3.15Å; I1994-T1997 WeakPolarHBondContact CA-OG1 3.43Å; I1994-T1997 PolarHBondContact O-N 2.99Å; I1994-T1997 PolarHBondContact O-OG1 3.24Å; I1994-T1997 VanDerWaalsContact O-OG1 3.09Å; I1994-V1998 HydrophobicContact CG2-CG2 4.03Å; I1994-V1998 VanDerWaalsContact O-CB 3.29Å; I1994-V1998 WeakPolarHBondContact O-CB 3.36Å; I1994-V1998 VanDerWaalsContact O-CG2 3.29Å; I1994-V1998 WeakPolarHBondContact O-CG2 3.37Å; I1994-V1998 PolarHBondContact O-N 2.95Å; I1994-I2053 HydrophobicContact CG1-CG2 4.37Å; I1994-I2053 HydrophobicContact CG2-CG2 4.34Å; I1994-F2057 HydrophobicContact CD1-CD2 3.95Å; I1994-F2057 HydrophobicContact CD1-CE2 3.41Å; I1994-F2057 VanDerWaalsContact CD1-CE2 3.44Å; I1994-F2057 HydrophobicContact CD1-CZ 3.86Å; I1994-F2057 HydrophobicContact CG1-CE2 4.36Å; I1994-A2230 HydrophobicContact CD1-CB 3.74Å; I1994-V2234 HydrophobicContact CD1-CG2 4.18Å; I1994-V2234 HydrophobicContact CG2-CG2 3.73Å; I1994-L2237 HydrophobicContact CG2-CD1 4.06Å |
| 1995 | R | 83.5 | Confident | 79.6 | Confident | 114.8 Ų | 114.8 | 31.4 Ų | 31.4 | 43% | 0.433 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.2 | -42.9 | 179 | -175.6 | -177.5 | -136.9 | -119.6 | 4.5 | 112.8 | G1991 S1992 L1993 K1999 E2233 L2237 | G1991-R1995 VanDerWaalsContact O-CB 3.27Å; G1991-R1995 WeakPolarHBondContact O-CB 3.36Å; G1991-R1995 PolarHBondContact O-N 2.95Å; S1992-R1995 WeakPolarHBondContact O-CB 3.49Å; S1992-R1995 PolarHBondContact O-N 2.99Å; L1993-R1995 VanDerWaalsContact C-N 3.33Å; L1993-R1995 PolarHBondContact O-N 3.07Å; R1995-K1999 HydrophobicContact CG-CD 4.41Å; R1995-K1999 VanDerWaalsContact O-CB 3.27Å; R1995-K1999 WeakPolarHBondContact O-CB 3.44Å; R1995-K1999 VanDerWaalsContact O-CG 3.27Å; R1995-K1999 WeakPolarHBondContact O-CG 3.42Å; R1995-K1999 PolarHBondContact O-N 3.21Å; R1995-E2233 VanDerWaalsContact CD-OE2 3.25Å; R1995-E2233 WeakPolarHBondContact CD-OE2 3.34Å; R1995-E2233 WeakPolarHBondContact CG-OE2 3.3Å; R1995-E2233 IonicContact CZ-OE1 3.44Å; R1995-E2233 IonicContact CZ-OE2 3.72Å; R1995-E2233 IonicContact NE-OE1 2.8Å; R1995-E2233 IonicContact NE-OE2 3.6Å; R1995-E2233 PolarHBondContact NE-OE2 3.37Å; R1995-E2233 IonicContact NH1-OE2 3.75Å; R1995-E2233 IonicContact NH2-OE1 2.72Å; R1995-E2233 PolarHBondContact NH2-OE1 2.98Å; R1995-E2233 IonicContact NH2-OE2 2.81Å; R1995-E2233 PolarHBondContact NH2-OE2 3.41Å; R1995-L2237 HydrophobicContact CB-CD1 4.39Å; R1995-L2237 HydrophobicContact CG-CD2 4.43Å |
| 1996 | I | 81.3 | Confident | 80.2 | Confident | 42.2 Ų | 42.2 | 31.4 Ų | 31.4 | 22% | 0.216 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -78.2 | -46.7 | -176.3 | -68.6 | 169 | 0 | 0 | 0 | 110.8 | I1939 S1992 L1993 I1994 V1998 K1999 Q2000 | I1939-I1996 HydrophobicContact CB-CD1 4.28Å; I1939-I1996 HydrophobicContact CD1-CD1 4.2Å; I1939-I1996 HydrophobicContact CG1-CD1 4.1Å; I1939-I1996 HydrophobicContact CG2-CD1 3.26Å; I1939-I1996 VanDerWaalsContact CG2-CD1 3.47Å; I1939-I1996 HydrophobicContact CG2-CG1 4.36Å; S1992-I1996 WeakPolarHBondContact O-CB 3.4Å; S1992-I1996 WeakPolarHBondContact O-CD1 3.43Å; S1992-I1996 VanDerWaalsContact O-CG1 3.3Å; S1992-I1996 WeakPolarHBondContact O-CG1 3.31Å; S1992-I1996 PolarHBondContact O-N 3.1Å; S1992-I1996 VanDerWaalsContact O-N 3.14Å; L1993-I1996 PolarHBondContact O-N 3.1Å; I1994-I1996 VanDerWaalsContact C-N 3.3Å; I1994-I1996 PolarHBondContact O-N 3.14Å; I1994-I1996 VanDerWaalsContact O-N 3.15Å; I1996-V1998 PolarHBondContact O-N 2.95Å; I1996-K1999 PolarHBondContact O-N 3.04Å; I1996-Q2000 VanDerWaalsContact O-CB 3.26Å; I1996-Q2000 WeakPolarHBondContact O-CB 3.37Å; I1996-Q2000 VanDerWaalsContact O-CD 3.25Å; I1996-Q2000 WeakPolarHBondContact O-CG 3.24Å; I1996-Q2000 PolarHBondContact O-N 3.08Å; I1996-Q2000 PolarHBondContact O-OE1 2.99Å |
| 1997 | T | 83.2 | Confident | 80.5 | Confident | 0.4 Ų | 0.4 | 34 Ų | 34 | 0% | 0.002 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 178.7 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | L1942 L1946 I1979 W1986 L1993 I1994 K1999 Q2000 I2001 | L1942-T1997 HydrophobicContact CD1-CG2 4.23Å; L1942-T1997 HydrophobicContact CD2-CG2 3.75Å; L1942-T1997 HydrophobicContact CG-CG2 4.2Å; L1946-T1997 HydrophobicContact CD1-CG2 4.03Å; I1979-T1997 HydrophobicContact CD1-CG2 3.7Å; I1979-T1997 HydrophobicContact CG1-CG2 4.22Å; I1979-T1997 HydrophobicContact CG2-CG2 4.13Å; W1986-T1997 HydrophobicContact CH2-CG2 4.31Å; L1993-T1997 HydrophobicContact CD1-CG2 4.08Å; L1993-T1997 HydrophobicContact CG-CG2 4.39Å; L1993-T1997 WeakPolarHBondContact O-CB 3.41Å; L1993-T1997 VanDerWaalsContact O-CG2 3.27Å; L1993-T1997 WeakPolarHBondContact O-CG2 3.44Å; L1993-T1997 PolarHBondContact O-N 3.15Å; L1993-T1997 PolarHBondContact O-OG1 3.1Å; I1994-T1997 WeakPolarHBondContact CA-OG1 3.43Å; I1994-T1997 PolarHBondContact O-N 2.99Å; I1994-T1997 PolarHBondContact O-OG1 3.24Å; I1994-T1997 VanDerWaalsContact O-OG1 3.09Å; T1997-K1999 VanDerWaalsContact C-N 3.34Å; T1997-K1999 PolarHBondContact O-N 3.16Å; T1997-Q2000 PolarHBondContact O-N 3.31Å; T1997-I2001 VanDerWaalsContact O-CB 3.32Å; T1997-I2001 WeakPolarHBondContact O-CB 3.35Å; T1997-I2001 VanDerWaalsContact O-CD1 3.3Å; T1997-I2001 WeakPolarHBondContact O-CD1 3.38Å; T1997-I2001 WeakPolarHBondContact O-CG1 3.22Å; T1997-I2001 PolarHBondContact O-N 3Å |
| 1998 | V | 85.4 | Confident | 80.8 | Confident | 14.8 Ų | 14.8 | 34 Ų | 34 | 9% | 0.09 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | I1994 I1996 Q2000 I2001 C2002 L2237 I2241 | I1994-V1998 HydrophobicContact CG2-CG2 4.03Å; I1994-V1998 VanDerWaalsContact O-CB 3.29Å; I1994-V1998 WeakPolarHBondContact O-CB 3.36Å; I1994-V1998 VanDerWaalsContact O-CG2 3.29Å; I1994-V1998 WeakPolarHBondContact O-CG2 3.37Å; I1994-V1998 PolarHBondContact O-N 2.95Å; I1996-V1998 PolarHBondContact O-N 2.95Å; V1998-Q2000 VanDerWaalsContact C-N 3.31Å; V1998-Q2000 PolarHBondContact O-N 3.09Å; V1998-I2001 PolarHBondContact O-N 3.3Å; V1998-C2002 WeakPolarHBondContact O-CB 3.34Å; V1998-C2002 PolarHBondContact O-N 3.12Å; V1998-C2002 PolarHBondContact O-SG 3.15Å; V1998-C2002 VanDerWaalsContact O-SG 3.36Å; V1998-L2237 HydrophobicContact CB-CD1 3.93Å; V1998-L2237 HydrophobicContact CG1-CB 3.96Å; V1998-L2237 HydrophobicContact CG1-CD1 4.11Å; V1998-L2237 HydrophobicContact CG1-CG 4.44Å; V1998-L2237 HydrophobicContact CG2-CD1 4.38Å; V1998-I2241 HydrophobicContact CG1-CD1 3.72Å; V1998-I2241 HydrophobicContact CG1-CG1 3.57Å |
| 1999 | K | 83.6 | Confident | 81.3 | Confident | 106 Ų | 106 | 29 Ų | 29 | 46% | 0.461 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.2 | -93.7 | -173.6 | 173.2 | -129.9 | 0 | 112.4 | R1995 I1996 T1997 C2002 S2003 L2237 D2240 | R1995-K1999 HydrophobicContact CG-CD 4.41Å; R1995-K1999 VanDerWaalsContact O-CB 3.27Å; R1995-K1999 WeakPolarHBondContact O-CB 3.44Å; R1995-K1999 VanDerWaalsContact O-CG 3.27Å; R1995-K1999 WeakPolarHBondContact O-CG 3.42Å; R1995-K1999 PolarHBondContact O-N 3.21Å; I1996-K1999 PolarHBondContact O-N 3.04Å; T1997-K1999 VanDerWaalsContact C-N 3.34Å; T1997-K1999 PolarHBondContact O-N 3.16Å; K1999-C2002 PolarHBondContact O-N 3.17Å; K1999-S2003 VanDerWaalsContact O-CB 3.28Å; K1999-S2003 WeakPolarHBondContact O-CB 3.39Å; K1999-S2003 PolarHBondContact O-N 3.24Å; K1999-L2237 HydrophobicContact CD-CD2 4.32Å; K1999-L2237 HydrophobicContact CG-CD2 3.79Å; K1999-D2240 IonicContact NZ-OD2 3.33Å; K1999-D2240 PolarHBondContact NZ-OD2 3.39Å |
| 2000 | Q | 82.1 | Confident | 81.5 | Confident | 36.6 Ų | 36.6 | 30.3 Ų | 30.3 | 17% | 0.171 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.6 | -38.4 | 178.7 | -133.9 | 63.6 | 25.7 | 0 | 0 | 111.9 | S1943 L1946 L1947 S1948 I1996 T1997 V1998 S2003 S2004 | S1943-Q2000 VanDerWaalsContact CA-NE2 3.28Å; S1943-Q2000 PolarHBondContact O-NE2 3.23Å; L1946-Q2000 HydrophobicContact CB-CB 4.23Å; L1946-Q2000 HydrophobicContact CB-CG 3.73Å; L1946-Q2000 HydrophobicContact CD1-CB 4.42Å; L1946-Q2000 WeakPolarHBondContact O-CG 3.37Å; L1946-Q2000 PolarHBondContact O-NE2 3.07Å; L1947-Q2000 VanDerWaalsContact CA-NE2 3.31Å; S1948-Q2000 VanDerWaalsContact N-NE2 3.16Å; S1948-Q2000 PolarHBondContact OG-NE2 3.36Å; I1996-Q2000 VanDerWaalsContact O-CB 3.26Å; I1996-Q2000 WeakPolarHBondContact O-CB 3.37Å; I1996-Q2000 VanDerWaalsContact O-CD 3.25Å; I1996-Q2000 WeakPolarHBondContact O-CG 3.24Å; I1996-Q2000 PolarHBondContact O-N 3.08Å; I1996-Q2000 PolarHBondContact O-OE1 2.99Å; T1997-Q2000 PolarHBondContact O-N 3.31Å; V1998-Q2000 VanDerWaalsContact C-N 3.31Å; V1998-Q2000 PolarHBondContact O-N 3.09Å; Q2000-S2003 PolarHBondContact O-N 3.09Å; Q2000-S2004 WeakPolarHBondContact O-CB 3.36Å; Q2000-S2004 PolarHBondContact O-N 3.27Å; Q2000-S2004 PolarHBondContact O-OG 2.93Å |
| 2001 | I | 84.6 | Confident | 81.2 | Confident | 1.6 Ų | 1.6 | 33 Ų | 33 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -49.6 | 172.8 | -72.7 | 163.4 | 0 | 0 | 0 | 110.9 | Y1976 T1997 V1998 S2003 S2004 L2005 V2046 L2049 I2050 | Y1976-I2001 HydrophobicContact CE1-CD1 4.11Å; Y1976-I2001 HydrophobicContact CE1-CG1 3.9Å; T1997-I2001 VanDerWaalsContact O-CB 3.32Å; T1997-I2001 WeakPolarHBondContact O-CB 3.35Å; T1997-I2001 VanDerWaalsContact O-CD1 3.3Å; T1997-I2001 WeakPolarHBondContact O-CD1 3.38Å; T1997-I2001 WeakPolarHBondContact O-CG1 3.22Å; T1997-I2001 PolarHBondContact O-N 3Å; V1998-I2001 PolarHBondContact O-N 3.3Å; I2001-S2003 VanDerWaalsContact C-N 3.32Å; I2001-S2003 PolarHBondContact O-N 3.33Å; I2001-S2004 PolarHBondContact O-N 3Å; I2001-S2004 VanDerWaalsContact O-N 3.1Å; I2001-S2004 PolarHBondContact O-OG 3.1Å; I2001-L2005 HydrophobicContact CG2-CD1 4.2Å; I2001-L2005 HydrophobicContact CG2-CG 4.48Å; I2001-L2005 WeakPolarHBondContact O-CB 3.26Å; I2001-L2005 PolarHBondContact O-N 3.17Å; I2001-V2046 HydrophobicContact CG2-CG1 3.47Å; I2001-V2046 VanDerWaalsContact CG2-CG1 3.41Å; I2001-L2049 HydrophobicContact CD1-CD2 3.53Å; I2001-L2049 VanDerWaalsContact CD1-CD2 3.47Å; I2001-L2049 HydrophobicContact CD1-CG 4.33Å; I2001-I2050 HydrophobicContact CG2-CD1 3.68Å; I2001-I2050 HydrophobicContact CG2-CG1 3.88Å |
| 2002 | C | 84.1 | Confident | 80.9 | Confident | 6.4 Ų | 6.4 | 32.6 Ų | 32.6 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 177.3 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | V1998 K1999 S2004 L2005 N2006 S2244 | V1998-C2002 WeakPolarHBondContact O-CB 3.34Å; V1998-C2002 PolarHBondContact O-N 3.12Å; V1998-C2002 PolarHBondContact O-SG 3.15Å; V1998-C2002 VanDerWaalsContact O-SG 3.36Å; K1999-C2002 PolarHBondContact O-N 3.17Å; C2002-S2004 PolarHBondContact O-N 3.36Å; C2002-L2005 PolarHBondContact O-N 3.37Å; C2002-N2006 WeakPolarHBondContact O-CB 3.29Å; C2002-N2006 VanDerWaalsContact O-CG 3.25Å; C2002-N2006 PolarHBondContact O-N 3.16Å; C2002-N2006 PolarHBondContact O-ND2 3.14Å; C2002-N2006 VanDerWaalsContact O-ND2 3.11Å; C2002-N2006 PolarHBondContact O-OD1 3.29Å; C2002-S2244 WeakPolarHBondContact CB-OG 3.43Å; C2002-S2244 PolarHBondContact O-OG 3.45Å |
| 2003 | S | 81.7 | Confident | 80.6 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 31% | 0.308 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 173.5 | -174 | 0 | 0 | 0 | 0 | 112 | K1999 Q2000 I2001 L2005 N2006 K2007 | K1999-S2003 VanDerWaalsContact O-CB 3.28Å; K1999-S2003 WeakPolarHBondContact O-CB 3.39Å; K1999-S2003 PolarHBondContact O-N 3.24Å; Q2000-S2003 PolarHBondContact O-N 3.09Å; I2001-S2003 VanDerWaalsContact C-N 3.32Å; I2001-S2003 PolarHBondContact O-N 3.33Å; S2003-L2005 VanDerWaalsContact C-N 3.34Å; S2003-L2005 PolarHBondContact O-N 3.12Å; S2003-N2006 PolarHBondContact O-N 3.15Å; S2003-K2007 WeakPolarHBondContact O-CB 3.1Å; S2003-K2007 WeakPolarHBondContact O-CG 3.35Å; S2003-K2007 PolarHBondContact O-N 3.13Å; S2003-K2007 WeakPolarHBondContact OG-CE 3.42Å |
| 2004 | S | 80.1 | Confident | 80.1 | Confident | 2.2 Ų | 2.2 | 39.2 Ų | 39.2 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 178.9 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | S1948 Q2000 I2001 C2002 L2008 Y2042 | S1948-S2004 WeakPolarHBondContact OG-CA 3.35Å; Q2000-S2004 WeakPolarHBondContact O-CB 3.36Å; Q2000-S2004 PolarHBondContact O-N 3.27Å; Q2000-S2004 PolarHBondContact O-OG 2.93Å; I2001-S2004 PolarHBondContact O-N 3Å; I2001-S2004 VanDerWaalsContact O-N 3.1Å; I2001-S2004 PolarHBondContact O-OG 3.1Å; C2002-S2004 PolarHBondContact O-N 3.36Å; S2004-L2008 VanDerWaalsContact O-CB 3.23Å; S2004-L2008 WeakPolarHBondContact O-CB 3.36Å; S2004-L2008 PolarHBondContact O-N 3.27Å; S2004-L2008 VanDerWaalsContact O-N 3.08Å; S2004-Y2042 PolarHBondContact OG-OH 3.06Å; S2004-Y2042 VanDerWaalsContact OG-OH 3.07Å |
| 2005 | L | 83.4 | Confident | 79.2 | Confident | 4.6 Ų | 4.6 | 40.7 Ų | 40.7 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 177.2 | -159.8 | 131.8 | 0 | 0 | 0 | 110.9 | I2001 C2002 S2003 L2008 C2009 V2046 I2050 S2244 L2248 | I2001-L2005 HydrophobicContact CG2-CD1 4.2Å; I2001-L2005 HydrophobicContact CG2-CG 4.48Å; I2001-L2005 WeakPolarHBondContact O-CB 3.26Å; I2001-L2005 PolarHBondContact O-N 3.17Å; C2002-L2005 PolarHBondContact O-N 3.37Å; S2003-L2005 VanDerWaalsContact C-N 3.34Å; S2003-L2005 PolarHBondContact O-N 3.12Å; L2005-L2008 PolarHBondContact O-N 3.1Å; L2005-C2009 WeakPolarHBondContact O-CB 3.26Å; L2005-C2009 PolarHBondContact O-N 3.11Å; L2005-C2009 PolarHBondContact O-SG 3.16Å; L2005-V2046 HydrophobicContact CD1-CG1 3.92Å; L2005-V2046 HydrophobicContact CD2-CB 4.28Å; L2005-V2046 HydrophobicContact CD2-CG1 3.77Å; L2005-V2046 HydrophobicContact CG-CG1 3.77Å; L2005-I2050 HydrophobicContact CD1-CD1 4.09Å; L2005-S2244 VanDerWaalsContact CD2-O 3.28Å; L2005-S2244 WeakPolarHBondContact CD2-O 3.5Å; L2005-L2248 HydrophobicContact CD1-CD1 4.23Å; L2005-L2248 HydrophobicContact CD1-CD2 4.16Å; L2005-L2248 HydrophobicContact CD2-CB 4.24Å; L2005-L2248 HydrophobicContact CD2-CD2 4.35Å; L2005-L2248 HydrophobicContact CG-CD2 4.48Å |
| 2006 | N | 84.1 | Confident | 78.4 | Confident | 45.6 Ų | 45.6 | 35.8 Ų | 35.8 | 24% | 0.244 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | 176.8 | -70.9 | -18.1 | 0 | 0 | 0 | 111.3 | C2002 S2003 L2008 C2009 D2010 S2244 F2247 | C2002-N2006 WeakPolarHBondContact O-CB 3.29Å; C2002-N2006 VanDerWaalsContact O-CG 3.25Å; C2002-N2006 PolarHBondContact O-N 3.16Å; C2002-N2006 PolarHBondContact O-ND2 3.14Å; C2002-N2006 VanDerWaalsContact O-ND2 3.11Å; C2002-N2006 PolarHBondContact O-OD1 3.29Å; S2003-N2006 PolarHBondContact O-N 3.15Å; N2006-L2008 VanDerWaalsContact C-N 3.3Å; N2006-L2008 PolarHBondContact O-N 3.16Å; N2006-C2009 CarbonylContact O-C 3.34Å; N2006-C2009 WeakPolarHBondContact O-CA 3.24Å; N2006-C2009 WeakPolarHBondContact O-CB 3.27Å; N2006-C2009 PolarHBondContact O-N 3.1Å; N2006-C2009 VanDerWaalsContact O-N 3.11Å; N2006-D2010 PolarHBondContact O-N 3.22Å; N2006-S2244 PolarHBondContact ND2-OG 3.17Å; N2006-S2244 VanDerWaalsContact OD1-CA 3.28Å; N2006-S2244 WeakPolarHBondContact OD1-CA 3.3Å; N2006-S2244 VanDerWaalsContact OD1-CB 3.28Å; N2006-S2244 WeakPolarHBondContact OD1-CB 3.37Å; N2006-S2244 PolarHBondContact OD1-OG 3.1Å; N2006-F2247 HydrophobicContact CB-CD1 4.4Å; N2006-F2247 WeakPolarHBondContact O-CE1 3.18Å |
| 2007 | K | 79 | Confident | 77.6 | Confident | 57.4 Ų | 57.4 | 40 Ų | 40 | 25% | 0.25 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -37.2 | 178 | -70.1 | 179.9 | -171.7 | -179 | 0 | 113.3 | S1948 P1949 S2003 C2009 D2010 R2011 W2035 | S1948-K2007 PolarHBondContact O-NZ 3.09Å; S1948-K2007 VanDerWaalsContact OG-CD 3.29Å; S1948-K2007 WeakPolarHBondContact OG-CD 3.22Å; S1948-K2007 VanDerWaalsContact OG-CE 3.31Å; S1948-K2007 WeakPolarHBondContact OG-CE 3.32Å; S1948-K2007 PolarHBondContact OG-NZ 3.22Å; P1949-K2007 WeakPolarHBondContact O-CD 3.37Å; P1949-K2007 PolarHBondContact O-NZ 2.84Å; P1949-K2007 VanDerWaalsContact O-NZ 3.16Å; S2003-K2007 WeakPolarHBondContact O-CB 3.1Å; S2003-K2007 WeakPolarHBondContact O-CG 3.35Å; S2003-K2007 PolarHBondContact O-N 3.13Å; S2003-K2007 WeakPolarHBondContact OG-CE 3.42Å; K2007-C2009 VanDerWaalsContact C-N 3.34Å; K2007-D2010 PolarHBondContact O-N 2.95Å; K2007-R2011 PolarHBondContact O-N 3.05Å; K2007-R2011 VanDerWaalsContact O-N 3.1Å; K2007-W2035 HydrophobicContact CB-CH2 4.39Å; K2007-W2035 HydrophobicContact CB-CZ2 4.49Å |
| 2008 | L | 78.6 | Confident | 76.5 | Confident | 5.6 Ų | 5.6 | 43 Ų | 43 | 3% | 0.029 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.2 | -176.6 | 152.3 | 0 | 0 | 0 | 111 | S2004 L2005 N2006 R2011 A2012 W2035 L2038 Y2042 T2043 L2300 | S2004-L2008 VanDerWaalsContact O-CB 3.23Å; S2004-L2008 WeakPolarHBondContact O-CB 3.36Å; S2004-L2008 PolarHBondContact O-N 3.27Å; S2004-L2008 VanDerWaalsContact O-N 3.08Å; L2005-L2008 PolarHBondContact O-N 3.1Å; N2006-L2008 VanDerWaalsContact C-N 3.3Å; N2006-L2008 PolarHBondContact O-N 3.16Å; L2008-R2011 PolarHBondContact O-N 3.19Å; L2008-A2012 WeakPolarHBondContact O-CB 3.25Å; L2008-A2012 PolarHBondContact O-N 3.17Å; L2008-A2012 VanDerWaalsContact O-N 3.11Å; L2008-W2035 HydrophobicContact CB-CH2 4.1Å; L2008-W2035 HydrophobicContact CB-CZ3 4.08Å; L2008-W2035 HydrophobicContact CD1-CZ3 4.18Å; L2008-W2035 HydrophobicContact CG-CZ3 4.07Å; L2008-L2038 HydrophobicContact CD1-CD2 3.85Å; L2008-Y2042 HydrophobicContact CD1-CD1 3.77Å; L2008-Y2042 HydrophobicContact CD1-CE1 4.01Å; L2008-T2043 HydrophobicContact CD1-CG2 4.32Å; L2008-T2043 HydrophobicContact CD2-CG2 4.12Å; L2008-L2300 HydrophobicContact CD2-CD1 3.4Å; L2008-L2300 VanDerWaalsContact CD2-CD1 3.47Å; L2008-L2300 HydrophobicContact CD2-CG 3.86Å; L2008-L2300 HydrophobicContact CG-CD1 4.49Å |
| 2009 | C | 79.3 | Confident | 74.9 | Confident | 0.2 Ų | 0.2 | 46.1 Ų | 46.1 | 0% | 0.001 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.8 | -40 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | L2005 N2006 K2007 R2011 A2012 Y2013 F2247 L2248 T2251 | L2005-C2009 WeakPolarHBondContact O-CB 3.26Å; L2005-C2009 PolarHBondContact O-N 3.11Å; L2005-C2009 PolarHBondContact O-SG 3.16Å; N2006-C2009 CarbonylContact O-C 3.34Å; N2006-C2009 WeakPolarHBondContact O-CA 3.24Å; N2006-C2009 WeakPolarHBondContact O-CB 3.27Å; N2006-C2009 PolarHBondContact O-N 3.1Å; N2006-C2009 VanDerWaalsContact O-N 3.11Å; K2007-C2009 VanDerWaalsContact C-N 3.34Å; C2009-R2011 VanDerWaalsContact C-N 3.33Å; C2009-R2011 PolarHBondContact O-N 2.99Å; C2009-A2012 PolarHBondContact O-N 3.32Å; C2009-Y2013 VanDerWaalsContact O-CB 3.26Å; C2009-Y2013 WeakPolarHBondContact O-CB 3.4Å; C2009-Y2013 PolarHBondContact O-N 3.04Å; C2009-F2247 HydrophobicContact CB-CD1 3.36Å; C2009-F2247 HydrophobicContact CB-CE1 3.23Å; C2009-F2247 VanDerWaalsContact CB-CE1 3.43Å; C2009-F2247 HydrophobicContact CB-CG 4.13Å; C2009-F2247 HydrophobicContact CB-CZ 3.87Å; C2009-L2248 VanDerWaalsContact SG-CA 3.55Å; C2009-L2248 VanDerWaalsContact SG-CD1 3.58Å; C2009-T2251 HydrophobicContact CB-CG2 4.46Å |
| 2010 | D | 77.9 | Confident | 73.3 | Confident | 72.4 Ų | 72.4 | 45.6 Ų | 45.6 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.1 | -45 | 175.1 | -75.6 | -42 | 0 | 0 | 0 | 111.1 | N2006 K2007 Y2013 Q2014 F2247 | N2006-D2010 PolarHBondContact O-N 3.22Å; K2007-D2010 PolarHBondContact O-N 2.95Å; D2010-Y2013 PolarHBondContact O-N 3.23Å; D2010-Q2014 WeakPolarHBondContact O-CB 3.28Å; D2010-Q2014 VanDerWaalsContact O-CG 3.28Å; D2010-Q2014 WeakPolarHBondContact O-CG 3.3Å; D2010-Q2014 PolarHBondContact O-N 3.3Å; D2010-F2247 HydrophobicContact CB-CE1 4.45Å; D2010-F2247 VanDerWaalsContact OD1-CE1 3.26Å; D2010-F2247 WeakPolarHBondContact OD1-CE1 3.28Å; D2010-F2247 VanDerWaalsContact OD1-CZ 3.26Å; D2010-F2247 WeakPolarHBondContact OD1-CZ 3.31Å |
| 2011 | R | 71.7 | Confident | 71.5 | Confident | 67.4 Ų | 67.4 | 50.7 Ų | 50.7 | 25% | 0.254 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -49.8 | 175.5 | -179 | 177 | 176.1 | 139.4 | -1.7 | 111.5 | K2007 L2008 C2009 Y2013 Q2014 D2015 T2032 W2035 | K2007-R2011 PolarHBondContact O-N 3.05Å; K2007-R2011 VanDerWaalsContact O-N 3.1Å; L2008-R2011 PolarHBondContact O-N 3.19Å; C2009-R2011 VanDerWaalsContact C-N 3.33Å; C2009-R2011 PolarHBondContact O-N 2.99Å; R2011-Y2013 VanDerWaalsContact C-N 3.27Å; R2011-Y2013 PolarHBondContact O-N 3.12Å; R2011-Q2014 PolarHBondContact O-N 3.1Å; R2011-Q2014 VanDerWaalsContact O-N 3.14Å; R2011-D2015 IonicContact NE-OD2 3.1Å; R2011-D2015 WeakPolarHBondContact O-CB 3.36Å; R2011-D2015 PolarHBondContact O-N 3.09Å; R2011-T2032 PolarHBondContact NH2-OG1 3.4Å; R2011-W2035 VanDerWaalsContact NH1-CB 3.31Å; R2011-W2035 VanDerWaalsContact NH1-CG 3.29Å |
| 2012 | A | 72.6 | Confident | 69.4 | Low | 1.4 Ų | 1.4 | 55.5 Ų | 55.5 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2008 C2009 D2015 I2016 T2251 L2300 | L2008-A2012 WeakPolarHBondContact O-CB 3.25Å; L2008-A2012 PolarHBondContact O-N 3.17Å; L2008-A2012 VanDerWaalsContact O-N 3.11Å; C2009-A2012 PolarHBondContact O-N 3.32Å; A2012-D2015 PolarHBondContact O-N 3.16Å; A2012-I2016 WeakPolarHBondContact O-CB 3.48Å; A2012-I2016 WeakPolarHBondContact O-CD1 3.28Å; A2012-I2016 VanDerWaalsContact O-CG1 3.23Å; A2012-I2016 WeakPolarHBondContact O-CG1 3.32Å; A2012-I2016 PolarHBondContact O-N 3.16Å; A2012-T2251 HydrophobicContact CB-CG2 3.73Å; A2012-L2300 HydrophobicContact CB-CD1 3.8Å |
| 2013 | Y | 71.2 | Confident | 67.3 | Low | 74.4 Ų | 74.4 | 60.4 Ų | 60.4 | 29% | 0.292 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 174.7 | -176.1 | -92.1 | 0 | 0 | 0 | 112.5 | C2009 D2010 R2011 D2015 I2016 K2017 Q2254 | C2009-Y2013 VanDerWaalsContact O-CB 3.26Å; C2009-Y2013 WeakPolarHBondContact O-CB 3.4Å; C2009-Y2013 PolarHBondContact O-N 3.04Å; D2010-Y2013 PolarHBondContact O-N 3.23Å; R2011-Y2013 VanDerWaalsContact C-N 3.27Å; R2011-Y2013 PolarHBondContact O-N 3.12Å; Y2013-D2015 VanDerWaalsContact C-N 3.35Å; Y2013-D2015 PolarHBondContact O-N 3.24Å; Y2013-I2016 PolarHBondContact O-N 2.98Å; Y2013-K2017 HydrophobicContact CE1-CD 4.22Å; Y2013-K2017 WeakPolarHBondContact O-CB 3.46Å; Y2013-K2017 PolarHBondContact O-N 3.26Å; Y2013-Q2254 VanDerWaalsContact CD2-OE1 3.26Å; Y2013-Q2254 VanDerWaalsContact CE2-OE1 3.26Å |
| 2014 | Q | 70.1 | Confident | 65.2 | Low | 118.4 Ų | 118.4 | 64.3 Ų | 64.3 | 55% | 0.553 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 174.2 | -73.4 | 178.4 | 13.4 | 0 | 0 | 112.1 | D2010 R2011 I2016 K2017 T2018 | D2010-Q2014 WeakPolarHBondContact O-CB 3.28Å; D2010-Q2014 VanDerWaalsContact O-CG 3.28Å; D2010-Q2014 WeakPolarHBondContact O-CG 3.3Å; D2010-Q2014 PolarHBondContact O-N 3.3Å; R2011-Q2014 PolarHBondContact O-N 3.1Å; R2011-Q2014 VanDerWaalsContact O-N 3.14Å; Q2014-I2016 VanDerWaalsContact C-N 3.3Å; Q2014-I2016 PolarHBondContact O-N 3.35Å; Q2014-K2017 PolarHBondContact O-N 3.09Å; Q2014-T2018 WeakPolarHBondContact O-CB 3.42Å; Q2014-T2018 VanDerWaalsContact O-CG2 3.3Å; Q2014-T2018 WeakPolarHBondContact O-CG2 3.34Å; Q2014-T2018 PolarHBondContact O-N 3.23Å; Q2014-T2018 PolarHBondContact O-OG1 3.37Å; Q2014-T2018 VanDerWaalsContact O-OG1 3.1Å |
| 2015 | D | 66.2 | Low | 62.9 | Low | 37.8 Ų | 37.8 | 74.7 Ų | 74.7 | 20% | 0.202 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66 | -31.8 | 175.4 | -77.5 | -27.6 | 0 | 0 | 0 | 112.1 | R2011 A2012 Y2013 T2018 R2019 P2296 | R2011-D2015 IonicContact NE-OD2 3.1Å; R2011-D2015 WeakPolarHBondContact O-CB 3.36Å; R2011-D2015 PolarHBondContact O-N 3.09Å; A2012-D2015 PolarHBondContact O-N 3.16Å; Y2013-D2015 VanDerWaalsContact C-N 3.35Å; Y2013-D2015 PolarHBondContact O-N 3.24Å; D2015-T2018 WeakPolarHBondContact CA-OG1 3.43Å; D2015-T2018 PolarHBondContact O-OG1 3.09Å; D2015-R2019 VanDerWaalsContact O-CD 3.25Å; D2015-R2019 WeakPolarHBondContact O-CD 3.28Å; D2015-R2019 VanDerWaalsContact O-CG 3.26Å; D2015-R2019 WeakPolarHBondContact O-CG 3.38Å; D2015-R2019 PolarHBondContact O-N 3.35Å; D2015-R2019 PolarHBondContact O-NE 3.25Å; D2015-R2019 PolarHBondContact O-NH1 2.75Å; D2015-R2019 VanDerWaalsContact O-NH1 3.15Å; D2015-P2296 HydrophobicContact CB-CB 4.38Å; D2015-P2296 HydrophobicContact CB-CG 4.24Å; D2015-P2296 VanDerWaalsContact OD2-CB 3.3Å; D2015-P2296 WeakPolarHBondContact OD2-CB 3.34Å; D2015-P2296 VanDerWaalsContact OD2-CG 3.25Å; D2015-P2296 WeakPolarHBondContact OD2-CG 3.34Å |
| 2016 | I | 66.2 | Low | 60.4 | Low | 11.8 Ų | 11.8 | 86.9 Ų | 86.9 | 6% | 0.061 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.6 | -45.5 | 171 | -68.6 | 161.3 | 0 | 0 | 0 | 110.5 | A2012 Y2013 Q2014 T2018 R2019 H2020 Q2254 L2297 | A2012-I2016 WeakPolarHBondContact O-CB 3.48Å; A2012-I2016 WeakPolarHBondContact O-CD1 3.28Å; A2012-I2016 VanDerWaalsContact O-CG1 3.23Å; A2012-I2016 WeakPolarHBondContact O-CG1 3.32Å; A2012-I2016 PolarHBondContact O-N 3.16Å; Y2013-I2016 PolarHBondContact O-N 2.98Å; Q2014-I2016 VanDerWaalsContact C-N 3.3Å; Q2014-I2016 PolarHBondContact O-N 3.35Å; I2016-T2018 PolarHBondContact O-N 2.97Å; I2016-R2019 WeakPolarHBondContact O-CB 3.35Å; I2016-R2019 PolarHBondContact O-N 3.38Å; I2016-H2020 PolarHBondContact O-CD2 3.04Å; I2016-H2020 PolarHBondContact O-N 3.35Å; I2016-Q2254 HydrophobicContact CD1-CB 4.47Å; I2016-L2297 HydrophobicContact CD1-CD2 4.18Å; I2016-L2297 HydrophobicContact CG1-CD2 4.24Å |
| 2017 | K | 63.7 | Low | 57.9 | Low | 130.8 Ų | 130.8 | 89.2 Ų | 89.2 | 57% | 0.569 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.3 | -39.4 | -178.3 | -170.2 | 175.8 | -179.2 | 179.4 | 0 | 113 | Y2013 Q2014 R2019 H2020 M2021 | Y2013-K2017 HydrophobicContact CE1-CD 4.22Å; Y2013-K2017 WeakPolarHBondContact O-CB 3.46Å; Y2013-K2017 PolarHBondContact O-N 3.26Å; Q2014-K2017 PolarHBondContact O-N 3.09Å; K2017-R2019 VanDerWaalsContact C-N 3.3Å; K2017-R2019 PolarHBondContact O-N 2.94Å; K2017-H2020 WeakPolarHBondContact O-CB 3.42Å; K2017-H2020 PolarHBondContact O-N 2.94Å; K2017-H2020 VanDerWaalsContact O-N 3.13Å; K2017-M2021 PolarHBondContact O-N 2.83Å |
| 2018 | T | 59.9 | Low | 55.7 | Low | 63.2 Ų | 63.2 | 95.4 Ų | 95.4 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.9 | -30.8 | 178.2 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | Q2014 D2015 I2016 H2020 M2021 N2022 | Q2014-T2018 WeakPolarHBondContact O-CB 3.42Å; Q2014-T2018 VanDerWaalsContact O-CG2 3.3Å; Q2014-T2018 WeakPolarHBondContact O-CG2 3.34Å; Q2014-T2018 PolarHBondContact O-N 3.23Å; Q2014-T2018 PolarHBondContact O-OG1 3.37Å; Q2014-T2018 VanDerWaalsContact O-OG1 3.1Å; D2015-T2018 WeakPolarHBondContact CA-OG1 3.43Å; D2015-T2018 PolarHBondContact O-OG1 3.09Å; I2016-T2018 PolarHBondContact O-N 2.97Å; T2018-H2020 VanDerWaalsContact C-N 3.3Å; T2018-H2020 PolarHBondContact O-N 2.93Å; T2018-M2021 PolarHBondContact O-N 3.13Å; T2018-M2021 VanDerWaalsContact O-N 3.11Å; T2018-N2022 WeakPolarHBondContact O-CB 3.3Å; T2018-N2022 PolarHBondContact O-N 3Å; T2018-N2022 VanDerWaalsContact O-N 3.1Å |
| 2019 | R | 52.5 | Low | 53.4 | Low | 80.8 Ų | 80.8 | 102.6 Ų | 102.6 | 31% | 0.305 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -31.9 | 170.8 | -71.7 | 170.6 | -167.1 | -166.9 | -0.2 | 112.7 | D2015 I2016 K2017 M2021 R2293 L2297 | D2015-R2019 VanDerWaalsContact O-CD 3.25Å; D2015-R2019 WeakPolarHBondContact O-CD 3.28Å; D2015-R2019 VanDerWaalsContact O-CG 3.26Å; D2015-R2019 WeakPolarHBondContact O-CG 3.38Å; D2015-R2019 PolarHBondContact O-N 3.35Å; D2015-R2019 PolarHBondContact O-NE 3.25Å; D2015-R2019 PolarHBondContact O-NH1 2.75Å; D2015-R2019 VanDerWaalsContact O-NH1 3.15Å; I2016-R2019 WeakPolarHBondContact O-CB 3.35Å; I2016-R2019 PolarHBondContact O-N 3.38Å; K2017-R2019 VanDerWaalsContact C-N 3.3Å; K2017-R2019 PolarHBondContact O-N 2.94Å; R2019-M2021 VanDerWaalsContact C-N 3.33Å; R2019-M2021 PolarHBondContact O-N 3.29Å; R2019-R2293 PolarHBondContact NH2-O 3.24Å; R2019-R2293 VanDerWaalsContact NH2-O 3.14Å; R2019-L2297 VanDerWaalsContact NH1-CD1 3.3Å; R2019-L2297 VanDerWaalsContact NH2-CD1 3.33Å |
| 2020 | H | 49.2 | Very low | 51.3 | Low | 94.6 Ų | 94.6 | 107.2 Ų | 107.2 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -23.4 | -179.9 | -94.9 | -77.7 | 0 | 0 | 0 | 114.1 | I2016 K2017 T2018 N2264 F2265 H2281 W2282 | I2016-H2020 PolarHBondContact O-CD2 3.04Å; I2016-H2020 PolarHBondContact O-N 3.35Å; K2017-H2020 WeakPolarHBondContact O-CB 3.42Å; K2017-H2020 PolarHBondContact O-N 2.94Å; K2017-H2020 VanDerWaalsContact O-N 3.13Å; T2018-H2020 VanDerWaalsContact C-N 3.3Å; T2018-H2020 PolarHBondContact O-N 2.93Å; H2020-N2264 PolarHBondContact CE1-OD1 3.11Å; H2020-F2265 AromaticContact CE1-CE1 3.67Å; H2020-H2281 PolarHBondContact CE1-O 2.85Å; H2020-W2282 AromaticContact CD2-CE3 3.22Å; H2020-W2282 AromaticContact CD2-CH2 3.38Å; H2020-W2282 WeakPolarHBondContact CD2-CH2 3.47Å; H2020-W2282 AromaticContact CD2-CZ3 2.87Å; H2020-W2282 WeakPolarHBondContact CD2-CZ3 3.36Å; H2020-W2282 AromaticContact CG-CZ3 3.92Å; H2020-W2282 AromaticContact ND1-CH2 4Å; H2020-W2282 AromaticContact NE2-CD2 3.38Å; H2020-W2282 AromaticContact NE2-CE2 3.97Å; H2020-W2282 AromaticContact NE2-CE3 2.93Å; H2020-W2282 AromaticContact NE2-CH2 3.72Å; H2020-W2282 AromaticContact NE2-CZ3 3.17Å; H2020-W2282 WeakPolarHBondContact NE2-CZ3 3.47Å |
| 2021 | M | 45.8 | Very low | 49.2 | Very low | 143.2 Ų | 143.2 | 110.1 Ų | 110.1 | 71% | 0.705 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -29.7 | -173.4 | -68.1 | -71.4 | 145.9 | 0 | 0 | 113.8 | K2017 T2018 R2019 C2023 | K2017-M2021 PolarHBondContact O-N 2.83Å; T2018-M2021 PolarHBondContact O-N 3.13Å; T2018-M2021 VanDerWaalsContact O-N 3.11Å; R2019-M2021 VanDerWaalsContact C-N 3.33Å; R2019-M2021 PolarHBondContact O-N 3.29Å; M2021-C2023 PolarHBondContact O-N 3.25Å |
| 2022 | N | 40.7 | Very low | 47.9 | Very low | 102.4 Ų | 102.4 | 109.8 Ų | 109.8 | 55% | 0.548 | 55% | 0.549 | S | S | . | . | trans | -111.5 | 60 | -167.5 | -72.1 | -14.4 | 0 | 0 | 0 | 114 | T2018 T2024 | T2018-N2022 WeakPolarHBondContact O-CB 3.3Å; T2018-N2022 PolarHBondContact O-N 3Å; T2018-N2022 VanDerWaalsContact O-N 3.1Å; N2022-T2024 VanDerWaalsContact C-N 3.32Å; N2022-T2024 PolarHBondContact O-N 3.02Å | ||
| 2023 | C | 39.1 | Very low | 46.8 | Very low | 110.4 Ų | 110.4 | 112.4 Ų | 112.4 | 75% | 0.746 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -78.6 | -7.2 | 165.9 | -100.6 | 0 | 0 | 0 | 0 | 113.7 | M2021 | M2021-C2023 PolarHBondContact O-N 3.25Š|
| 2024 | T | 37.4 | Very low | 45.9 | Very low | 125.8 Ų | 125.8 | 112.6 Ų | 112.6 | 77% | 0.772 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -133 | 22.3 | -167.4 | 42.6 | 0 | 0 | 0 | 0 | 116.3 | N2022 | N2022-T2024 VanDerWaalsContact C-N 3.32Å; N2022-T2024 PolarHBondContact O-N 3.02Å |
| 2025 | R | 33.1 | Very low | 45.2 | Very low | 221.4 Ų | 221.4 | 109.1 Ų | 109.1 | 84% | 0.835 | 56% | 0.555 | S | S | * | * | trans | -149.6 | 113.3 | 164.8 | -84.3 | 177.8 | -170.2 | -175.3 | 2.9 | 113.2 | S2027 | R2025-S2027 VanDerWaalsContact C-N 3.35Å; R2025-S2027 PolarHBondContact O-N 3.29Å; R2025-S2027 VanDerWaalsContact O-N 3.12Å | ||
| 2026 | R | 30.4 | Very low | 44.5 | Very low | 260.2 Ų | 260.2 | 113.6 Ų | 113.6 | 98% | 0.982 | 57% | 0.574 | S | S | * | * | trans | -70.2 | 93.4 | 161.2 | -87.4 | -179.6 | 170.8 | 174.7 | -3.3 | 108.8 | ||||
| 2027 | S | 31 | Very low | 44.1 | Very low | 93 Ų | 93 | 117.3 Ų | 117.3 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | trans | -150.4 | 128.5 | 160.8 | 50 | 0 | 0 | 0 | 0 | 111.3 | R2025 | R2025-S2027 VanDerWaalsContact C-N 3.35Å; R2025-S2027 PolarHBondContact O-N 3.29Å; R2025-S2027 VanDerWaalsContact O-N 3.12Å | ||
| 2028 | Q | 32.3 | Very low | 44.2 | Very low | 188.8 Ų | 188.8 | 112.3 Ų | 112.3 | 88% | 0.882 | 57% | 0.573 | S | S | * | * | trans | 46.1 | 110.9 | 166.6 | -67.4 | 178.6 | -13.3 | 0 | 0 | 115.9 | S2030 | Q2028-S2030 PolarHBondContact O-N 3.13Š| ||
| 2029 | L | 30.7 | Very low | 44.6 | Very low | 157.2 Ų | 157.2 | 110.7 Ų | 110.7 | 82% | 0.823 | 56% | 0.564 | S | S | * | * | trans | -75.5 | 112.2 | 164 | -131.9 | 77.2 | 0 | 0 | 0 | 109.3 | T2032 | L2029-T2032 HydrophobicContact CD2-CG2 4.3Å; L2029-T2032 HydrophobicContact CG-CG2 4.16Å | ||
| 2030 | S | 36 | Very low | 45.1 | Very low | 96.8 Ų | 96.8 | 112.3 Ų | 112.3 | 68% | 0.677 | 59% | 0.585 | S | S | * | * | trans | -98.5 | 122.5 | 170.9 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | Q2028 T2032 | Q2028-S2030 PolarHBondContact O-N 3.13Å; S2030-T2032 VanDerWaalsContact O-CG2 3.23Å; S2030-T2032 WeakPolarHBondContact O-CG2 3.23Å; S2030-T2032 PolarHBondContact O-N 3.16Å; S2030-T2032 VanDerWaalsContact O-N 3.11Å | ||
| 2031 | N | 34.4 | Very low | 46.1 | Very low | 133 Ų | 133 | 110.5 Ų | 110.5 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | trans | 3.1 | 97.4 | 174.6 | -63.1 | -12.8 | 0 | 0 | 0 | 115.3 | K1773 | K1773-N2031 PolarHBondContact NZ-OD1 3.34Š| ||
| 2032 | T | 42.9 | Very low | 47.6 | Very low | 60.2 Ų | 60.2 | 103.8 Ų | 103.8 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | trans | -106.1 | 12.4 | -177.5 | 52.4 | 0 | 0 | 0 | 0 | 114.9 | R2011 L2029 S2030 D2034 E2036 | R2011-T2032 PolarHBondContact NH2-OG1 3.4Å; L2029-T2032 HydrophobicContact CD2-CG2 4.3Å; L2029-T2032 HydrophobicContact CG-CG2 4.16Å; S2030-T2032 VanDerWaalsContact O-CG2 3.23Å; S2030-T2032 WeakPolarHBondContact O-CG2 3.23Å; S2030-T2032 PolarHBondContact O-N 3.16Å; S2030-T2032 VanDerWaalsContact O-N 3.11Å; T2032-D2034 PolarHBondContact O-N 2.82Å; T2032-E2036 WeakPolarHBondContact CB-OE1 3.37Å; T2032-E2036 PolarHBondContact OG1-OE1 3.05Å | ||
| 2033 | S | 50.3 | Low | 49.5 | Very low | 55.6 Ų | 55.6 | 99.1 Ų | 99.1 | 39% | 0.389 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -59.8 | -37.2 | -166.2 | 46.4 | 0 | 0 | 0 | 0 | 116.1 | W2035 E2036 | S2033-W2035 VanDerWaalsContact C-N 3.31Å; S2033-W2035 PolarHBondContact O-N 3.28Å; S2033-W2035 VanDerWaalsContact O-N 3.13Å; S2033-E2036 WeakPolarHBondContact O-CB 3.31Å; S2033-E2036 PolarHBondContact O-N 3.16Å |
| 2034 | D | 51.3 | Low | 51.5 | Low | 78.8 Ų | 78.8 | 93.8 Ų | 93.8 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -78.4 | -17.4 | -157.6 | -54.1 | -15.6 | 0 | 0 | 0 | 113.9 | T2032 | T2032-D2034 PolarHBondContact O-N 2.82Š|
| 2035 | W | 55.8 | Low | 53.4 | Low | 46 Ų | 46 | 88.4 Ų | 88.4 | 17% | 0.174 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -101.5 | -5.3 | 176.8 | -65 | 79.5 | 0 | 0 | 0 | 113 | P1949 L1969 K2007 L2008 R2011 S2033 L2037 L2038 | P1949-W2035 HydrophobicContact CB-CZ2 3.91Å; P1949-W2035 HydrophobicContact CG-CD2 4.35Å; P1949-W2035 VanDerWaalsContact CG-CE2 3.47Å; P1949-W2035 HydrophobicContact CG-CH2 4.07Å; P1949-W2035 HydrophobicContact CG-CZ2 3.47Å; P1949-W2035 HydrophobicContact CG-CZ3 4.4Å; L1969-W2035 HydrophobicContact CD1-CD2 4.09Å; L1969-W2035 HydrophobicContact CD1-CE3 3.51Å; L1969-W2035 HydrophobicContact CD1-CH2 4.08Å; L1969-W2035 HydrophobicContact CD1-CZ2 4.38Å; L1969-W2035 HydrophobicContact CD1-CZ3 3.49Å; L1969-W2035 VanDerWaalsContact CD1-CZ3 3.44Å; K2007-W2035 HydrophobicContact CB-CH2 4.39Å; K2007-W2035 HydrophobicContact CB-CZ2 4.49Å; L2008-W2035 HydrophobicContact CB-CH2 4.1Å; L2008-W2035 HydrophobicContact CB-CZ3 4.08Å; L2008-W2035 HydrophobicContact CD1-CZ3 4.18Å; L2008-W2035 HydrophobicContact CG-CZ3 4.07Å; R2011-W2035 VanDerWaalsContact NH1-CB 3.31Å; R2011-W2035 VanDerWaalsContact NH1-CG 3.29Å; S2033-W2035 VanDerWaalsContact C-N 3.31Å; S2033-W2035 PolarHBondContact O-N 3.28Å; S2033-W2035 VanDerWaalsContact O-N 3.13Å; W2035-L2037 PolarHBondContact O-N 3.25Å; W2035-L2038 HydrophobicContact CE3-CD1 4.04Å; W2035-L2038 HydrophobicContact CZ3-CD1 4.18Å; W2035-L2038 WeakPolarHBondContact O-CB 3.25Å; W2035-L2038 PolarHBondContact O-N 3.01Å |
| 2036 | E | 52.2 | Low | 55.8 | Low | 131.8 Ų | 131.8 | 77.9 Ų | 77.9 | 62% | 0.616 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -14.3 | 175.3 | -68.6 | 173.7 | -177.2 | 0 | 0 | 112.1 | T2032 S2033 L2038 | T2032-E2036 WeakPolarHBondContact CB-OE1 3.37Å; T2032-E2036 PolarHBondContact OG1-OE1 3.05Å; S2033-E2036 WeakPolarHBondContact O-CB 3.31Å; S2033-E2036 PolarHBondContact O-N 3.16Å; E2036-L2038 VanDerWaalsContact C-N 3.34Å |
| 2037 | L | 57.6 | Low | 58.4 | Low | 90 Ų | 90 | 65.6 Ų | 65.6 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 13.2 | 176.3 | -89.5 | 87.3 | 0 | 0 | 0 | 114.5 | D1970 W2035 P2039 | D1970-L2037 HydrophobicContact CB-CD2 4.38Å; W2035-L2037 PolarHBondContact O-N 3.25Å; L2037-P2039 WeakPolarHBondContact O-CD 3.5Å |
| 2038 | L | 65.9 | Low | 60.8 | Low | 25.8 Ų | 25.8 | 61.5 Ų | 61.5 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 129.4 | 179.4 | -155.6 | 79.3 | 0 | 0 | 0 | 111 | L1969 L2008 W2035 E2036 Y2042 S2299 | L1969-L2038 HydrophobicContact CB-CD1 3.73Å; L1969-L2038 HydrophobicContact CD1-CD1 3.51Å; L1969-L2038 HydrophobicContact CG-CD1 4.21Å; L2008-L2038 HydrophobicContact CD1-CD2 3.85Å; W2035-L2038 HydrophobicContact CE3-CD1 4.04Å; W2035-L2038 HydrophobicContact CZ3-CD1 4.18Å; W2035-L2038 WeakPolarHBondContact O-CB 3.25Å; W2035-L2038 PolarHBondContact O-N 3.01Å; E2036-L2038 VanDerWaalsContact C-N 3.34Å; L2038-Y2042 HydrophobicContact CD1-CD1 4.01Å; L2038-Y2042 HydrophobicContact CD1-CD2 4.02Å; L2038-Y2042 HydrophobicContact CD1-CE1 4.36Å; L2038-Y2042 HydrophobicContact CD1-CE2 4.38Å; L2038-Y2042 HydrophobicContact CD1-CG 3.88Å; L2038-Y2042 HydrophobicContact CD2-CD1 4.02Å; L2038-Y2042 HydrophobicContact CD2-CG 4Å; L2038-Y2042 HydrophobicContact CG-CD1 4.31Å; L2038-Y2042 HydrophobicContact CG-CD2 4.33Å; L2038-Y2042 HydrophobicContact CG-CG 3.93Å; L2038-S2299 VanDerWaalsContact CD2-CB 3.46Å |
| 2039 | P | 67.4 | Low | 63.2 | Low | 28.2 Ų | 28.2 | 52.6 Ų | 52.6 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 144.5 | 174.8 | -8.5 | 12 | 0 | 0 | 0 | 111.6 | L1969 L2037 D2041 Y2042 | L1969-P2039 WeakPolarHBondContact O-CD 3.41Å; L2037-P2039 WeakPolarHBondContact O-CD 3.5Å; P2039-D2041 PolarHBondContact O-N 2.97Å; P2039-Y2042 HydrophobicContact CG-CD2 4.23Å; P2039-Y2042 WeakPolarHBondContact O-CB 3.36Å; P2039-Y2042 PolarHBondContact O-N 3.26Å; P2039-Y2042 VanDerWaalsContact O-N 3.16Å |
| 2040 | P | 64.1 | Low | 65.8 | Low | 115.4 Ų | 115.4 | 45.2 Ų | 45.2 | 75% | 0.749 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 140.3 | 169 | 25.9 | -33.2 | 0 | 0 | 0 | 109.4 | Y2042 | P2040-Y2042 VanDerWaalsContact C-N 3.25Å; P2040-Y2042 PolarHBondContact O-N 3.08Å; P2040-Y2042 VanDerWaalsContact O-N 3.14Å |
| 2041 | D | 70.2 | Confident | 68.1 | Low | 56 Ų | 56 | 41.1 Ų | 41.1 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 23.8 | -177.8 | -62.2 | -38.9 | 0 | 0 | 0 | 115.8 | P2039 T2043 L2044 T2045 | P2039-D2041 PolarHBondContact O-N 2.97Å; D2041-T2043 VanDerWaalsContact C-N 3.27Å; D2041-T2043 PolarHBondContact O-N 3.26Å; D2041-T2043 VanDerWaalsContact O-N 3.16Å; D2041-L2044 HydrophobicContact CB-CB 4.25Å; D2041-L2044 HydrophobicContact CB-CD1 4.05Å; D2041-L2044 HydrophobicContact CB-CG 4.4Å; D2041-L2044 WeakPolarHBondContact O-CA 3.41Å; D2041-L2044 WeakPolarHBondContact O-CB 3.35Å; D2041-L2044 PolarHBondContact O-N 3.08Å; D2041-T2045 PolarHBondContact O-N 3.28Å |
| 2042 | Y | 77.6 | Confident | 70.3 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -47.5 | -46.1 | 175.6 | 177 | -97.5 | 0 | 0 | 0 | 113 | H1972 Y1976 S2004 L2008 L2038 P2039 P2040 L2044 T2045 V2046 | H1972-Y2042 HydrophobicContact CB-CE2 3.79Å; H1972-Y2042 AromaticContact CG-CE2 3.99Å; H1972-Y2042 AromaticContact ND1-CE2 3.81Å; H1972-Y2042 AromaticContact ND1-CZ 3.81Å; H1972-Y2042 PolarHBondContact ND1-OH 3.15Å; H1972-Y2042 VanDerWaalsContact ND1-OH 3.17Å; Y1976-Y2042 HydrophobicContact CE2-CE2 4.31Å; Y1976-Y2042 PolarHBondContact OH-OH 3.26Å; Y1976-Y2042 VanDerWaalsContact OH-OH 3.09Å; S2004-Y2042 PolarHBondContact OG-OH 3.06Å; S2004-Y2042 VanDerWaalsContact OG-OH 3.07Å; L2008-Y2042 HydrophobicContact CD1-CD1 3.77Å; L2008-Y2042 HydrophobicContact CD1-CE1 4.01Å; L2038-Y2042 HydrophobicContact CD1-CD1 4.01Å; L2038-Y2042 HydrophobicContact CD1-CD2 4.02Å; L2038-Y2042 HydrophobicContact CD1-CE1 4.36Å; L2038-Y2042 HydrophobicContact CD1-CE2 4.38Å; L2038-Y2042 HydrophobicContact CD1-CG 3.88Å; L2038-Y2042 HydrophobicContact CD2-CD1 4.02Å; L2038-Y2042 HydrophobicContact CD2-CG 4Å; L2038-Y2042 HydrophobicContact CG-CD1 4.31Å; L2038-Y2042 HydrophobicContact CG-CD2 4.33Å; L2038-Y2042 HydrophobicContact CG-CG 3.93Å; P2039-Y2042 HydrophobicContact CG-CD2 4.23Å; P2039-Y2042 WeakPolarHBondContact O-CB 3.36Å; P2039-Y2042 PolarHBondContact O-N 3.26Å; P2039-Y2042 VanDerWaalsContact O-N 3.16Å; P2040-Y2042 VanDerWaalsContact C-N 3.25Å; P2040-Y2042 PolarHBondContact O-N 3.08Å; P2040-Y2042 VanDerWaalsContact O-N 3.14Å; Y2042-L2044 VanDerWaalsContact C-N 3.29Å; Y2042-L2044 PolarHBondContact O-N 2.94Å; Y2042-T2045 PolarHBondContact O-N 3.25Å; Y2042-T2045 VanDerWaalsContact O-N 3.15Å; Y2042-T2045 PolarHBondContact O-OG1 3.21Å; Y2042-V2046 HydrophobicContact CD1-CG2 4.13Å; Y2042-V2046 HydrophobicContact CE1-CG2 3.66Å; Y2042-V2046 HydrophobicContact CE2-CG2 4.19Å; Y2042-V2046 HydrophobicContact CG-CG2 4.49Å; Y2042-V2046 WeakPolarHBondContact O-CG2 3.36Å; Y2042-V2046 PolarHBondContact O-N 3.25Å |
| 2043 | T | 79.6 | Confident | 72.2 | Confident | 3.2 Ų | 3.2 | 32 Ų | 32 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -35.4 | 177.7 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | L2008 D2041 L2047 L2300 | L2008-T2043 HydrophobicContact CD1-CG2 4.32Å; L2008-T2043 HydrophobicContact CD2-CG2 4.12Å; D2041-T2043 VanDerWaalsContact C-N 3.27Å; D2041-T2043 PolarHBondContact O-N 3.26Å; D2041-T2043 VanDerWaalsContact O-N 3.16Å; T2043-L2047 WeakPolarHBondContact O-CB 3.26Å; T2043-L2047 VanDerWaalsContact O-CG 3.28Å; T2043-L2047 WeakPolarHBondContact O-CG 3.4Å; T2043-L2047 PolarHBondContact O-N 3.04Å; T2043-L2300 WeakPolarHBondContact CB-O 3.39Å; T2043-L2300 HydrophobicContact CG2-CD1 4.35Å; T2043-L2300 WeakPolarHBondContact CG2-O 3.36Å; T2043-L2300 VanDerWaalsContact OG1-C 3.31Å; T2043-L2300 PolarHBondContact OG1-O 3.16Å |
| 2044 | L | 80.6 | Confident | 73.8 | Confident | 0.4 Ų | 0.4 | 29.5 Ų | 29.5 | 0% | 0.002 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.1 | -38.9 | 175.7 | -63.1 | 179.3 | 0 | 0 | 0 | 111.5 | D2041 Y2042 V2046 L2047 A2048 V2093 T2097 L2305 V2306 A2309 | D2041-L2044 HydrophobicContact CB-CB 4.25Å; D2041-L2044 HydrophobicContact CB-CD1 4.05Å; D2041-L2044 HydrophobicContact CB-CG 4.4Å; D2041-L2044 WeakPolarHBondContact O-CA 3.41Å; D2041-L2044 WeakPolarHBondContact O-CB 3.35Å; D2041-L2044 PolarHBondContact O-N 3.08Å; Y2042-L2044 VanDerWaalsContact C-N 3.29Å; Y2042-L2044 PolarHBondContact O-N 2.94Å; L2044-V2046 VanDerWaalsContact C-N 3.32Å; L2044-V2046 PolarHBondContact O-N 2.83Å; L2044-L2047 PolarHBondContact O-N 3.16Å; L2044-A2048 VanDerWaalsContact O-CB 3.28Å; L2044-A2048 WeakPolarHBondContact O-CB 3.37Å; L2044-A2048 PolarHBondContact O-N 3.24Å; L2044-V2093 HydrophobicContact CB-CG1 4.26Å; L2044-V2093 HydrophobicContact CD1-CG1 4.42Å; L2044-V2093 HydrophobicContact CD2-CG1 4.19Å; L2044-V2093 HydrophobicContact CD2-CG2 4.49Å; L2044-V2093 HydrophobicContact CG-CG1 4.46Å; L2044-T2097 HydrophobicContact CB-CG2 3.69Å; L2044-T2097 HydrophobicContact CD1-CG2 4.34Å; L2044-L2305 HydrophobicContact CD1-CB 4.18Å; L2044-L2305 HydrophobicContact CD1-CD1 4.32Å; L2044-L2305 HydrophobicContact CD2-CB 4.34Å; L2044-V2306 HydrophobicContact CD2-CB 4.36Å; L2044-V2306 HydrophobicContact CD2-CG2 3.87Å; L2044-V2306 HydrophobicContact CG-CG2 4.39Å; L2044-A2309 HydrophobicContact CD2-CB 3.97Å |
| 2045 | T | 78.5 | Confident | 75.3 | Confident | 10.8 Ų | 10.8 | 26 Ų | 26 | 7% | 0.066 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 175.2 | 67.7 | 0 | 0 | 0 | 0 | 111.9 | D2041 Y2042 A2048 L2049 T2097 | D2041-T2045 PolarHBondContact O-N 3.28Å; Y2042-T2045 PolarHBondContact O-N 3.25Å; Y2042-T2045 VanDerWaalsContact O-N 3.15Å; Y2042-T2045 PolarHBondContact O-OG1 3.21Å; T2045-A2048 PolarHBondContact O-N 2.87Å; T2045-L2049 PolarHBondContact O-N 3.17Å; T2045-L2049 VanDerWaalsContact O-N 3.12Å; T2045-T2097 HydrophobicContact CG2-CG2 4.19Å |
| 2046 | V | 83.9 | Confident | 76.2 | Confident | 1.6 Ų | 1.6 | 23.9 Ų | 23.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -51.2 | 174.3 | 166.1 | 0 | 0 | 0 | 0 | 110.9 | Y1976 I2001 L2005 Y2042 L2044 A2048 L2049 I2050 | Y1976-V2046 HydrophobicContact CE2-CG2 3.62Å; I2001-V2046 HydrophobicContact CG2-CG1 3.47Å; I2001-V2046 VanDerWaalsContact CG2-CG1 3.41Å; L2005-V2046 HydrophobicContact CD1-CG1 3.92Å; L2005-V2046 HydrophobicContact CD2-CB 4.28Å; L2005-V2046 HydrophobicContact CD2-CG1 3.77Å; L2005-V2046 HydrophobicContact CG-CG1 3.77Å; Y2042-V2046 HydrophobicContact CD1-CG2 4.13Å; Y2042-V2046 HydrophobicContact CE1-CG2 3.66Å; Y2042-V2046 HydrophobicContact CE2-CG2 4.19Å; Y2042-V2046 HydrophobicContact CG-CG2 4.49Å; Y2042-V2046 WeakPolarHBondContact O-CG2 3.36Å; Y2042-V2046 PolarHBondContact O-N 3.25Å; L2044-V2046 VanDerWaalsContact C-N 3.32Å; L2044-V2046 PolarHBondContact O-N 2.83Å; V2046-A2048 VanDerWaalsContact C-N 3.3Å; V2046-A2048 PolarHBondContact O-N 3.06Å; V2046-L2049 PolarHBondContact O-N 3.08Å; V2046-I2050 HydrophobicContact CG1-CD1 4.08Å; V2046-I2050 WeakPolarHBondContact O-CG1 3.33Å; V2046-I2050 PolarHBondContact O-N 3.32Å; V2046-I2050 VanDerWaalsContact O-N 3.09Å |
| 2047 | L | 84.5 | Confident | 77.4 | Confident | 1.8 Ų | 1.8 | 17.6 Ų | 17.6 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.6 | -35.3 | 179.5 | -74.1 | 170.5 | 0 | 0 | 0 | 112.3 | T2043 L2044 I2050 Q2051 I2245 L2248 V2306 A2309 I2310 L2313 | T2043-L2047 WeakPolarHBondContact O-CB 3.26Å; T2043-L2047 VanDerWaalsContact O-CG 3.28Å; T2043-L2047 WeakPolarHBondContact O-CG 3.4Å; T2043-L2047 PolarHBondContact O-N 3.04Å; L2044-L2047 PolarHBondContact O-N 3.16Å; L2047-I2050 PolarHBondContact O-N 3.19Å; L2047-Q2051 VanDerWaalsContact O-CB 3.22Å; L2047-Q2051 WeakPolarHBondContact O-CB 3.42Å; L2047-Q2051 PolarHBondContact O-N 3.26Å; L2047-I2245 HydrophobicContact CD2-CD1 4.41Å; L2047-I2245 HydrophobicContact CD2-CG1 4.35Å; L2047-L2248 HydrophobicContact CD1-CD2 4.22Å; L2047-V2306 HydrophobicContact CD1-CG1 3.79Å; L2047-A2309 HydrophobicContact CB-CB 4.35Å; L2047-A2309 HydrophobicContact CD1-CB 4.1Å; L2047-I2310 HydrophobicContact CD1-CD1 4.42Å; L2047-I2310 HydrophobicContact CD1-CG1 3.85Å; L2047-I2310 HydrophobicContact CD2-CG1 4.08Å; L2047-L2313 HydrophobicContact CD2-CD1 4.38Å |
| 2048 | A | 80.9 | Confident | 78.4 | Confident | 6.6 Ų | 6.6 | 13.5 Ų | 13.5 | 6% | 0.055 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2044 T2045 V2046 G2052 L2099 | L2044-A2048 VanDerWaalsContact O-CB 3.28Å; L2044-A2048 WeakPolarHBondContact O-CB 3.37Å; L2044-A2048 PolarHBondContact O-N 3.24Å; T2045-A2048 PolarHBondContact O-N 2.87Å; V2046-A2048 VanDerWaalsContact C-N 3.3Å; V2046-A2048 PolarHBondContact O-N 3.06Å; A2048-G2052 PolarHBondContact O-N 2.99Å; A2048-L2099 HydrophobicContact CB-CD1 3.75Å; A2048-L2099 HydrophobicContact CB-CD2 4.21Å |
| 2049 | L | 83 | Confident | 78.7 | Confident | 1.6 Ų | 1.6 | 12.8 Ų | 12.8 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.9 | -46.5 | 174.4 | 179.2 | 64 | 0 | 0 | 0 | 112 | Y1976 I1979 F1980 I2001 T2045 V2046 Q2051 G2052 I2053 | Y1976-L2049 HydrophobicContact CD1-CD2 3.29Å; Y1976-L2049 HydrophobicContact CD2-CD2 4.47Å; Y1976-L2049 HydrophobicContact CE1-CD2 4.01Å; Y1976-L2049 HydrophobicContact CG-CB 4.49Å; Y1976-L2049 HydrophobicContact CG-CD2 3.61Å; I1979-L2049 HydrophobicContact CD1-CD2 4.45Å; I1979-L2049 HydrophobicContact CG2-CD1 4.06Å; I1979-L2049 HydrophobicContact CG2-CD2 4.41Å; F1980-L2049 HydrophobicContact CB-CD1 4.02Å; F1980-L2049 HydrophobicContact CD2-CD1 4.35Å; F1980-L2049 HydrophobicContact CG-CD1 4.5Å; I2001-L2049 HydrophobicContact CD1-CD2 3.53Å; I2001-L2049 VanDerWaalsContact CD1-CD2 3.47Å; I2001-L2049 HydrophobicContact CD1-CG 4.33Å; T2045-L2049 PolarHBondContact O-N 3.17Å; T2045-L2049 VanDerWaalsContact O-N 3.12Å; V2046-L2049 PolarHBondContact O-N 3.08Å; L2049-Q2051 VanDerWaalsContact C-N 3.27Å; L2049-Q2051 PolarHBondContact O-N 3.03Å; L2049-G2052 PolarHBondContact O-N 3.06Å; L2049-I2053 HydrophobicContact CD1-CD1 3.94Å; L2049-I2053 HydrophobicContact CD1-CG1 4.16Å; L2049-I2053 HydrophobicContact CD2-CD1 4.48Å; L2049-I2053 HydrophobicContact CG-CD1 3.92Å; L2049-I2053 HydrophobicContact CG-CG1 4.48Å; L2049-I2053 WeakPolarHBondContact O-CG1 3.38Å; L2049-I2053 PolarHBondContact O-N 3.09Å |
| 2050 | I | 85.8 | Confident | 78.3 | Confident | 2.6 Ų | 2.6 | 13.7 Ų | 13.7 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 176.2 | -58.7 | 170.2 | 0 | 0 | 0 | 109.6 | I2001 L2005 V2046 L2047 G2052 I2053 C2054 I2241 L2313 | I2001-I2050 HydrophobicContact CG2-CD1 3.68Å; I2001-I2050 HydrophobicContact CG2-CG1 3.88Å; L2005-I2050 HydrophobicContact CD1-CD1 4.09Å; V2046-I2050 HydrophobicContact CG1-CD1 4.08Å; V2046-I2050 WeakPolarHBondContact O-CG1 3.33Å; V2046-I2050 PolarHBondContact O-N 3.32Å; V2046-I2050 VanDerWaalsContact O-N 3.09Å; L2047-I2050 PolarHBondContact O-N 3.19Å; I2050-G2052 PolarHBondContact O-N 3.24Å; I2050-I2053 PolarHBondContact O-N 3.05Å; I2050-C2054 VanDerWaalsContact O-CB 3.29Å; I2050-C2054 WeakPolarHBondContact O-CB 3.39Å; I2050-C2054 PolarHBondContact O-N 3.01Å; I2050-C2054 PolarHBondContact O-SG 3.12Å; I2050-C2054 VanDerWaalsContact O-SG 3.33Å; I2050-I2241 HydrophobicContact CG2-CD1 4.31Å; I2050-I2241 HydrophobicContact CG2-CG1 4.49Å; I2050-I2241 HydrophobicContact CG2-CG2 3.86Å; I2050-L2313 HydrophobicContact CB-CD1 4Å; I2050-L2313 HydrophobicContact CG2-CD1 3.89Å; I2050-L2313 HydrophobicContact CG2-CD2 4.03Å |
| 2051 | Q | 84.4 | Confident | 77.8 | Confident | 11.4 Ų | 11.4 | 9.6 Ų | 9.6 | 5% | 0.053 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.6 | -50.9 | 174.9 | -176 | -174.5 | -24.7 | 0 | 0 | 111.1 | L2047 L2049 I2053 C2054 H2055 S2102 I2103 L2313 | L2047-Q2051 VanDerWaalsContact O-CB 3.22Å; L2047-Q2051 WeakPolarHBondContact O-CB 3.42Å; L2047-Q2051 PolarHBondContact O-N 3.26Å; L2049-Q2051 VanDerWaalsContact C-N 3.27Å; L2049-Q2051 PolarHBondContact O-N 3.03Å; Q2051-I2053 PolarHBondContact O-N 3.03Å; Q2051-C2054 PolarHBondContact O-N 3.35Å; Q2051-H2055 VanDerWaalsContact CG-CE1 3.42Å; Q2051-H2055 WeakPolarHBondContact CG-CE1 3.38Å; Q2051-H2055 WeakPolarHBondContact CG-ND1 3.44Å; Q2051-H2055 PolarHBondContact NE2-CE1 3.44Å; Q2051-H2055 PolarHBondContact NE2-ND1 3.29Å; Q2051-H2055 VanDerWaalsContact O-CB 3.23Å; Q2051-H2055 WeakPolarHBondContact O-CB 3.43Å; Q2051-H2055 PolarHBondContact O-CD2 3.17Å; Q2051-H2055 VanDerWaalsContact O-CG 3.25Å; Q2051-H2055 PolarHBondContact O-N 3.03Å; Q2051-S2102 PolarHBondContact NE2-OG 2.97Å; Q2051-S2102 VanDerWaalsContact NE2-OG 3.15Å; Q2051-I2103 VanDerWaalsContact NE2-CG1 3.3Å; Q2051-L2313 VanDerWaalsContact CA-CD1 3.48Å; Q2051-L2313 HydrophobicContact CB-CB 4.27Å; Q2051-L2313 HydrophobicContact CB-CD1 4.01Å; Q2051-L2313 HydrophobicContact CB-CG 4.13Å; Q2051-L2313 HydrophobicContact CG-CB 4.32Å; Q2051-L2313 HydrophobicContact CG-CD1 4.24Å; Q2051-L2313 HydrophobicContact CG-CG 4.45Å |
| 2052 | G | 80 | Confident | 76.7 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.1 | -52.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1980 A2048 L2049 I2050 C2054 H2055 T2056 | F1980-G2052 VanDerWaalsContact CE2-CA 3.49Å; A2048-G2052 PolarHBondContact O-N 2.99Å; L2049-G2052 PolarHBondContact O-N 3.06Å; I2050-G2052 PolarHBondContact O-N 3.24Å; G2052-C2054 PolarHBondContact O-N 3.37Å; G2052-H2055 PolarHBondContact O-N 3.31Å; G2052-T2056 WeakPolarHBondContact O-CB 3.24Å; G2052-T2056 PolarHBondContact O-N 3.13Å; G2052-T2056 PolarHBondContact O-OG1 3.17Å |
| 2053 | I | 82.7 | Confident | 75 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 179.6 | -64.9 | 169.9 | 0 | 0 | 0 | 111 | L1983 I1994 L2049 I2050 Q2051 H2055 T2056 F2057 V2234 | L1983-I2053 HydrophobicContact CD2-CG1 4.38Å; I1994-I2053 HydrophobicContact CG1-CG2 4.37Å; I1994-I2053 HydrophobicContact CG2-CG2 4.34Å; L2049-I2053 HydrophobicContact CD1-CD1 3.94Å; L2049-I2053 HydrophobicContact CD1-CG1 4.16Å; L2049-I2053 HydrophobicContact CD2-CD1 4.48Å; L2049-I2053 HydrophobicContact CG-CD1 3.92Å; L2049-I2053 HydrophobicContact CG-CG1 4.48Å; L2049-I2053 WeakPolarHBondContact O-CG1 3.38Å; L2049-I2053 PolarHBondContact O-N 3.09Å; I2050-I2053 PolarHBondContact O-N 3.05Å; Q2051-I2053 PolarHBondContact O-N 3.03Å; I2053-H2055 VanDerWaalsContact C-N 3.33Å; I2053-H2055 PolarHBondContact O-N 3.27Å; I2053-T2056 PolarHBondContact O-N 3.09Å; I2053-F2057 HydrophobicContact CG2-CD2 4.12Å; I2053-F2057 HydrophobicContact CG2-CE2 4.24Å; I2053-F2057 WeakPolarHBondContact O-CD2 3.37Å; I2053-F2057 PolarHBondContact O-N 3.22Å; I2053-V2234 HydrophobicContact CG2-CG2 4.15Å |
| 2054 | C | 83.5 | Confident | 73.2 | Confident | 1.6 Ų | 1.6 | 14 Ų | 14 | 1% | 0.011 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | -179.2 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | I2050 Q2051 G2052 F2057 L2058 M2238 L2313 I2317 | I2050-C2054 VanDerWaalsContact O-CB 3.29Å; I2050-C2054 WeakPolarHBondContact O-CB 3.39Å; I2050-C2054 PolarHBondContact O-N 3.01Å; I2050-C2054 PolarHBondContact O-SG 3.12Å; I2050-C2054 VanDerWaalsContact O-SG 3.33Å; Q2051-C2054 PolarHBondContact O-N 3.35Å; G2052-C2054 PolarHBondContact O-N 3.37Å; C2054-F2057 PolarHBondContact O-N 2.94Å; C2054-L2058 HydrophobicContact CB-CD1 4.31Å; C2054-L2058 VanDerWaalsContact O-CB 3.23Å; C2054-L2058 WeakPolarHBondContact O-CB 3.41Å; C2054-L2058 WeakPolarHBondContact O-CG 3.34Å; C2054-L2058 PolarHBondContact O-N 3.14Å; C2054-M2238 HydrophobicContact CB-CE 4.24Å; C2054-L2313 HydrophobicContact CB-CD1 4.09Å; C2054-I2317 HydrophobicContact CB-CD1 4.01Å |
| 2055 | H | 82.2 | Confident | 71.2 | Confident | 7.2 Ų | 7.2 | 16.9 Ų | 16.9 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.3 | -36.3 | -179.6 | -71.9 | -170.9 | 0 | 0 | 0 | 111.9 | Q2051 G2052 I2053 F2057 L2059 A2106 R2312 L2313 | Q2051-H2055 VanDerWaalsContact CG-CE1 3.42Å; Q2051-H2055 WeakPolarHBondContact CG-CE1 3.38Å; Q2051-H2055 WeakPolarHBondContact CG-ND1 3.44Å; Q2051-H2055 PolarHBondContact NE2-CE1 3.44Å; Q2051-H2055 PolarHBondContact NE2-ND1 3.29Å; Q2051-H2055 VanDerWaalsContact O-CB 3.23Å; Q2051-H2055 WeakPolarHBondContact O-CB 3.43Å; Q2051-H2055 PolarHBondContact O-CD2 3.17Å; Q2051-H2055 VanDerWaalsContact O-CG 3.25Å; Q2051-H2055 PolarHBondContact O-N 3.03Å; G2052-H2055 PolarHBondContact O-N 3.31Å; I2053-H2055 VanDerWaalsContact C-N 3.33Å; I2053-H2055 PolarHBondContact O-N 3.27Å; H2055-F2057 VanDerWaalsContact C-N 3.34Å; H2055-F2057 PolarHBondContact O-N 3.18Å; H2055-L2059 HydrophobicContact CB-CD1 3.71Å; H2055-L2059 HydrophobicContact CB-CG 4.31Å; H2055-L2059 WeakPolarHBondContact O-CB 3.39Å; H2055-L2059 PolarHBondContact O-N 3.09Å; H2055-L2059 VanDerWaalsContact O-N 3.16Å; H2055-A2106 HydrophobicContact CB-CB 4.18Å; H2055-R2312 PolarHBondContact CE1-O 3.03Å; H2055-L2313 PolarHBondContact NE2-O 2.96Å |
| 2056 | T | 75.2 | Confident | 69.2 | Low | 0.4 Ų | 0.4 | 22.4 Ų | 22.4 | 0% | 0.002 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 174.5 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | L1983 G2052 I2053 A2106 I2109 A2110 L2113 Y2227 | L1983-T2056 HydrophobicContact CD2-CG2 4.35Å; G2052-T2056 WeakPolarHBondContact O-CB 3.24Å; G2052-T2056 PolarHBondContact O-N 3.13Å; G2052-T2056 PolarHBondContact O-OG1 3.17Å; I2053-T2056 PolarHBondContact O-N 3.09Å; T2056-A2106 VanDerWaalsContact OG1-CA 3.24Å; T2056-A2106 WeakPolarHBondContact OG1-CA 3.25Å; T2056-A2106 VanDerWaalsContact OG1-CB 3.31Å; T2056-A2106 WeakPolarHBondContact OG1-CB 3.45Å; T2056-A2106 PolarHBondContact OG1-O 3.24Å; T2056-I2109 HydrophobicContact CG2-CB 4.19Å; T2056-I2109 HydrophobicContact CG2-CG2 3.72Å; T2056-A2110 HydrophobicContact CG2-CB 4.27Å; T2056-A2110 WeakPolarHBondContact O-CB 3.5Å; T2056-L2113 HydrophobicContact CG2-CD1 4.34Å; T2056-Y2227 PolarHBondContact O-OH 3.14Å; T2056-Y2227 VanDerWaalsContact O-OH 3.14Å |
| 2057 | F | 78.3 | Confident | 67 | Low | 0.2 Ų | 0.2 | 26.7 Ų | 26.7 | 0% | 0.001 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -102.7 | -17.3 | -172.4 | -62.3 | -65.1 | 0 | 0 | 0 | 115.3 | L1983 I1990 I1994 I2053 C2054 H2055 L2113 Y2227 A2230 Q2231 V2234 | L1983-F2057 HydrophobicContact CD1-CE2 4.16Å; L1983-F2057 HydrophobicContact CD1-CZ 4.11Å; L1983-F2057 HydrophobicContact CD2-CE2 3.83Å; L1983-F2057 HydrophobicContact CD2-CZ 3.98Å; L1983-F2057 HydrophobicContact CG-CE2 4.29Å; L1983-F2057 HydrophobicContact CG-CZ 4.06Å; I1990-F2057 HydrophobicContact CD1-CE1 4.11Å; I1990-F2057 HydrophobicContact CD1-CZ 3.67Å; I1990-F2057 HydrophobicContact CG1-CZ 4.24Å; I1994-F2057 HydrophobicContact CD1-CD2 3.95Å; I1994-F2057 HydrophobicContact CD1-CE2 3.41Å; I1994-F2057 VanDerWaalsContact CD1-CE2 3.44Å; I1994-F2057 HydrophobicContact CD1-CZ 3.86Å; I1994-F2057 HydrophobicContact CG1-CE2 4.36Å; I2053-F2057 HydrophobicContact CG2-CD2 4.12Å; I2053-F2057 HydrophobicContact CG2-CE2 4.24Å; I2053-F2057 WeakPolarHBondContact O-CD2 3.37Å; I2053-F2057 PolarHBondContact O-N 3.22Å; C2054-F2057 PolarHBondContact O-N 2.94Å; H2055-F2057 VanDerWaalsContact C-N 3.34Å; H2055-F2057 PolarHBondContact O-N 3.18Å; F2057-L2113 HydrophobicContact CE1-CD1 3.88Å; F2057-L2113 HydrophobicContact CZ-CD1 4.23Å; F2057-Y2227 AromaticContact CD1-CD2 3.97Å; F2057-Y2227 HydrophobicContact CD1-CD2 3.99Å; F2057-Y2227 AromaticContact CD1-CE2 3.83Å; F2057-Y2227 HydrophobicContact CD1-CE2 3.83Å; F2057-Y2227 HydrophobicContact CE1-CD2 4.12Å; F2057-Y2227 HydrophobicContact CE1-CE2 4.29Å; F2057-Y2227 PolarHBondContact O-OH 3.4Å; F2057-A2230 HydrophobicContact CD1-CB 3.65Å; F2057-A2230 HydrophobicContact CE1-CB 3.37Å; F2057-A2230 VanDerWaalsContact CE1-CB 3.42Å; F2057-A2230 HydrophobicContact CE2-CB 4.35Å; F2057-A2230 HydrophobicContact CG-CB 4.27Å; F2057-A2230 HydrophobicContact CZ-CB 3.77Å; F2057-Q2231 WeakPolarHBondContact O-CG 3.28Å; F2057-Q2231 PolarHBondContact O-NE2 3.29Å; F2057-V2234 HydrophobicContact CB-CG2 4.12Å; F2057-V2234 HydrophobicContact CD2-CG2 3.78Å; F2057-V2234 HydrophobicContact CG-CG2 4.21Å |
| 2058 | L | 77.7 | Confident | 64.8 | Low | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -109.8 | -19 | -177.4 | -57.1 | 176 | 0 | 0 | 0 | 114.1 | C2054 Q2231 V2234 L2235 M2238 I2317 Q2320 H2321 L2324 | C2054-L2058 HydrophobicContact CB-CD1 4.31Å; C2054-L2058 VanDerWaalsContact O-CB 3.23Å; C2054-L2058 WeakPolarHBondContact O-CB 3.41Å; C2054-L2058 WeakPolarHBondContact O-CG 3.34Å; C2054-L2058 PolarHBondContact O-N 3.14Å; L2058-Q2231 HydrophobicContact CD2-CG 4.42Å; L2058-V2234 HydrophobicContact CD1-CG1 3.91Å; L2058-V2234 HydrophobicContact CD2-CG1 4.24Å; L2058-V2234 HydrophobicContact CG-CG1 4.03Å; L2058-L2235 HydrophobicContact CD2-CD2 3.67Å; L2058-L2235 HydrophobicContact CD2-CG 4.11Å; L2058-M2238 HydrophobicContact CD1-CE 3.63Å; L2058-M2238 HydrophobicContact CD1-CG 4.34Å; L2058-M2238 HydrophobicContact CD1-SD 3.8Å; L2058-I2317 HydrophobicContact CD1-CD1 4.35Å; L2058-I2317 HydrophobicContact CD1-CG2 4.41Å; L2058-Q2320 PolarHBondContact O-NE2 3.05Å; L2058-H2321 PolarHBondContact O-CD2 3.2Å; L2058-H2321 PolarHBondContact O-NE2 3.2Å; L2058-L2324 HydrophobicContact CD1-CD2 4.05Å; L2058-L2324 HydrophobicContact CD2-CD2 4.16Å |
| 2059 | L | 72.5 | Confident | 62.8 | Low | 11 Ų | 11 | 32 Ų | 32 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -93.9 | 129.1 | 176.7 | -56.4 | 178.6 | 0 | 0 | 0 | 110 | H2055 V2061 L2068 P2316 I2317 Q2320 | H2055-L2059 HydrophobicContact CB-CD1 3.71Å; H2055-L2059 HydrophobicContact CB-CG 4.31Å; H2055-L2059 WeakPolarHBondContact O-CB 3.39Å; H2055-L2059 PolarHBondContact O-N 3.09Å; H2055-L2059 VanDerWaalsContact O-N 3.16Å; L2059-V2061 PolarHBondContact O-N 3.17Å; L2059-L2068 HydrophobicContact CD1-CD1 4.4Å; L2059-L2068 HydrophobicContact CD1-CD2 4.35Å; L2059-P2316 HydrophobicContact CD1-CB 4.12Å; L2059-P2316 HydrophobicContact CD2-CB 4.09Å; L2059-I2317 HydrophobicContact CD2-CG1 4.39Å; L2059-Q2320 HydrophobicContact CD2-CB 4.41Å; L2059-Q2320 VanDerWaalsContact CD2-CD 3.43Å; L2059-Q2320 HydrophobicContact CD2-CG 4.21Å; L2059-Q2320 VanDerWaalsContact CD2-OE1 3.3Å |
| 2060 | S | 58.3 | Low | 60.5 | Low | 46 Ų | 46 | 35.1 Ų | 35.1 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | trans | -69.1 | 131.2 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 111 | G2062 N2063 S2064 Q2320 | S2060-G2062 VanDerWaalsContact C-N 3.25Å; S2060-G2062 PolarHBondContact O-N 3.08Å; S2060-G2062 VanDerWaalsContact O-N 3.1Å; S2060-N2063 PolarHBondContact O-N 3.25Å; S2060-N2063 VanDerWaalsContact O-N 3.13Å; S2060-S2064 WeakPolarHBondContact O-CB 3.29Å; S2060-S2064 PolarHBondContact O-N 3.01Å; S2060-S2064 PolarHBondContact O-OG 3.2Å; S2060-Q2320 VanDerWaalsContact N-OE1 3.11Å | ||
| 2061 | V | 54.4 | Low | 58.1 | Low | 30.8 Ų | 30.8 | 38.6 Ų | 38.6 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -34.2 | -178.4 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | L2059 N2063 L2107 A2110 E2111 Y2114 | L2059-V2061 PolarHBondContact O-N 3.17Å; V2061-N2063 PolarHBondContact O-N 3.18Å; V2061-L2107 HydrophobicContact CG1-CD2 4.39Å; V2061-A2110 HydrophobicContact CG2-CB 3.87Å; V2061-E2111 HydrophobicContact CG1-CB 4.41Å; V2061-E2111 HydrophobicContact CG1-CG 3.5Å; V2061-E2111 VanDerWaalsContact CG1-CG 3.45Å; V2061-E2111 WeakPolarHBondContact CG1-OE1 3.3Å; V2061-E2111 HydrophobicContact CG2-CG 4.38Å; V2061-Y2114 HydrophobicContact CB-CD1 3.95Å; V2061-Y2114 HydrophobicContact CB-CE1 4.4Å; V2061-Y2114 HydrophobicContact CB-CG 4.13Å; V2061-Y2114 HydrophobicContact CG1-CD1 4.14Å; V2061-Y2114 HydrophobicContact CG2-CD1 4.24Å; V2061-Y2114 HydrophobicContact CG2-CD2 4.4Å; V2061-Y2114 HydrophobicContact CG2-CG 4.07Å |
| 2062 | G | 46.8 | Very low | 55.8 | Low | 47.2 Ų | 47.2 | 46.2 Ų | 46.2 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -30.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | S2060 S2065 | S2060-G2062 VanDerWaalsContact C-N 3.25Å; S2060-G2062 PolarHBondContact O-N 3.08Å; S2060-G2062 VanDerWaalsContact O-N 3.1Å; G2062-S2065 PolarHBondContact O-OG 3.29Å |
| 2063 | N | 42.5 | Very low | 53.4 | Low | 98 Ų | 98 | 53.7 Ų | 53.7 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -19.4 | -171 | -73.2 | -8 | 0 | 0 | 0 | 113.7 | S2060 V2061 S2065 L2066 L2067 | S2060-N2063 PolarHBondContact O-N 3.25Å; S2060-N2063 VanDerWaalsContact O-N 3.13Å; V2061-N2063 PolarHBondContact O-N 3.18Å; N2063-S2065 VanDerWaalsContact C-N 3.3Å; N2063-S2065 PolarHBondContact O-N 2.83Å; N2063-L2066 WeakPolarHBondContact O-CB 3.44Å; N2063-L2066 PolarHBondContact O-N 3.33Å; N2063-L2067 PolarHBondContact O-N 3.32Å |
| 2064 | S | 40.5 | Very low | 51 | Low | 8.6 Ų | 8.6 | 58.8 Ų | 58.8 | 6% | 0.06 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72 | -31.8 | -176.9 | 6.9 | 0 | 0 | 0 | 0 | 112.6 | S2060 L2066 L2067 L2068 L2107 | S2060-S2064 WeakPolarHBondContact O-CB 3.29Å; S2060-S2064 PolarHBondContact O-N 3.01Å; S2060-S2064 PolarHBondContact O-OG 3.2Å; S2064-L2066 VanDerWaalsContact C-N 3.34Å; S2064-L2066 PolarHBondContact O-N 3.31Å; S2064-L2067 PolarHBondContact O-N 3.16Å; S2064-L2068 VanDerWaalsContact O-CB 3.29Å; S2064-L2068 WeakPolarHBondContact O-CB 3.37Å; S2064-L2068 VanDerWaalsContact O-CD1 3.31Å; S2064-L2068 WeakPolarHBondContact O-CD1 3.45Å; S2064-L2068 WeakPolarHBondContact O-CG 3.4Å; S2064-L2068 PolarHBondContact O-N 3.17Å; S2064-L2068 VanDerWaalsContact O-N 3.09Å; S2064-L2107 WeakPolarHBondContact OG-CD1 3.14Å; S2064-L2107 WeakPolarHBondContact OG-CD2 3.42Å |
| 2065 | S | 38.6 | Very low | 48.4 | Very low | 62.4 Ų | 62.4 | 65.4 Ų | 65.4 | 44% | 0.436 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | G2062 N2063 L2068 T2069 | G2062-S2065 PolarHBondContact O-OG 3.29Å; N2063-S2065 VanDerWaalsContact C-N 3.3Å; N2063-S2065 PolarHBondContact O-N 2.83Å; S2065-L2068 PolarHBondContact O-N 2.9Å; S2065-T2069 WeakPolarHBondContact O-CB 3.39Å; S2065-T2069 WeakPolarHBondContact O-CG2 3.33Å; S2065-T2069 PolarHBondContact O-N 3.22Å; S2065-T2069 VanDerWaalsContact O-N 3.11Å; S2065-T2069 PolarHBondContact O-OG1 2.88Å |
| 2066 | L | 38.2 | Very low | 45.8 | Very low | 124.6 Ų | 124.6 | 69.1 Ų | 69.1 | 65% | 0.652 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.6 | -37.6 | 179.1 | -118.5 | 159 | 0 | 0 | 0 | 112.1 | N2063 S2064 T2069 S2070 | N2063-L2066 WeakPolarHBondContact O-CB 3.44Å; N2063-L2066 PolarHBondContact O-N 3.33Å; S2064-L2066 VanDerWaalsContact C-N 3.34Å; S2064-L2066 PolarHBondContact O-N 3.31Å; L2066-T2069 PolarHBondContact O-N 3.35Å; L2066-T2069 PolarHBondContact O-OG1 3.3Å; L2066-T2069 VanDerWaalsContact O-OG1 3.05Å; L2066-S2070 VanDerWaalsContact O-CB 3.24Å; L2066-S2070 WeakPolarHBondContact O-CB 3.34Å; L2066-S2070 PolarHBondContact O-N 2.92Å |
| 2067 | L | 37.4 | Very low | 43.5 | Very low | 93.4 Ų | 93.4 | 76.5 Ų | 76.5 | 49% | 0.489 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.6 | -35.6 | 176.6 | -97.1 | 154.5 | 0 | 0 | 0 | 112.3 | N2063 S2064 S2070 S2071 T2319 | N2063-L2067 PolarHBondContact O-N 3.32Å; S2064-L2067 PolarHBondContact O-N 3.16Å; L2067-S2070 WeakPolarHBondContact O-CB 3.28Å; L2067-S2070 PolarHBondContact O-N 3.05Å; L2067-S2070 PolarHBondContact O-OG 2.9Å; L2067-S2071 WeakPolarHBondContact O-CB 3.47Å; L2067-S2071 PolarHBondContact O-N 3.08Å; L2067-T2319 HydrophobicContact CD2-CG2 4.21Å |
| 2068 | L | 37.6 | Very low | 41 | Very low | 42.4 Ų | 42.4 | 85.1 Ų | 85.1 | 22% | 0.222 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 174.9 | -80.3 | 161.1 | 0 | 0 | 0 | 112.3 | L2059 S2064 S2065 S2070 S2071 R2072 I2103 L2107 P2316 | L2059-L2068 HydrophobicContact CD1-CD1 4.4Å; L2059-L2068 HydrophobicContact CD1-CD2 4.35Å; S2064-L2068 VanDerWaalsContact O-CB 3.29Å; S2064-L2068 WeakPolarHBondContact O-CB 3.37Å; S2064-L2068 VanDerWaalsContact O-CD1 3.31Å; S2064-L2068 WeakPolarHBondContact O-CD1 3.45Å; S2064-L2068 WeakPolarHBondContact O-CG 3.4Å; S2064-L2068 PolarHBondContact O-N 3.17Å; S2064-L2068 VanDerWaalsContact O-N 3.09Å; S2065-L2068 PolarHBondContact O-N 2.9Å; L2068-S2070 VanDerWaalsContact C-N 3.35Å; L2068-S2071 PolarHBondContact O-N 3.01Å; L2068-R2072 WeakPolarHBondContact O-CB 3.38Å; L2068-R2072 VanDerWaalsContact O-CG 3.26Å; L2068-R2072 WeakPolarHBondContact O-CG 3.41Å; L2068-R2072 PolarHBondContact O-N 3.12Å; L2068-R2072 VanDerWaalsContact O-N 3.1Å; L2068-I2103 HydrophobicContact CD1-CG2 4Å; L2068-I2103 HydrophobicContact CD2-CG2 4.05Å; L2068-I2103 HydrophobicContact CG-CG2 4.41Å; L2068-L2107 HydrophobicContact CD1-CD1 3.99Å; L2068-L2107 HydrophobicContact CD1-CD2 4.43Å; L2068-P2316 HydrophobicContact CD2-CB 4.24Å; L2068-P2316 HydrophobicContact CD2-CG 4.32Å |
| 2069 | T | 38.8 | Very low | 38.6 | Very low | 76.6 Ų | 76.6 | 93.6 Ų | 93.6 | 47% | 0.47 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.1 | -35.2 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | S2065 L2066 S2071 R2072 K2073 | S2065-T2069 WeakPolarHBondContact O-CB 3.39Å; S2065-T2069 WeakPolarHBondContact O-CG2 3.33Å; S2065-T2069 PolarHBondContact O-N 3.22Å; S2065-T2069 VanDerWaalsContact O-N 3.11Å; S2065-T2069 PolarHBondContact O-OG1 2.88Å; L2066-T2069 PolarHBondContact O-N 3.35Å; L2066-T2069 PolarHBondContact O-OG1 3.3Å; L2066-T2069 VanDerWaalsContact O-OG1 3.05Å; T2069-S2071 VanDerWaalsContact C-N 3.31Å; T2069-S2071 PolarHBondContact O-N 3.25Å; T2069-R2072 WeakPolarHBondContact O-CB 3.4Å; T2069-R2072 PolarHBondContact O-N 3.2Å; T2069-R2072 VanDerWaalsContact O-N 3.16Å; T2069-K2073 VanDerWaalsContact O-CB 3.25Å; T2069-K2073 WeakPolarHBondContact O-CB 3.42Å; T2069-K2073 VanDerWaalsContact O-CG 3.28Å; T2069-K2073 WeakPolarHBondContact O-CG 3.42Å; T2069-K2073 PolarHBondContact O-N 3.31Å; T2069-K2073 VanDerWaalsContact O-N 3.07Å |
| 2070 | S | 35.9 | Very low | 36.5 | Very low | 66.8 Ų | 66.8 | 98.3 Ų | 98.3 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 112.8 | L2066 L2067 L2068 R2072 K2073 V2074 | L2066-S2070 VanDerWaalsContact O-CB 3.24Å; L2066-S2070 WeakPolarHBondContact O-CB 3.34Å; L2066-S2070 PolarHBondContact O-N 2.92Å; L2067-S2070 WeakPolarHBondContact O-CB 3.28Å; L2067-S2070 PolarHBondContact O-N 3.05Å; L2067-S2070 PolarHBondContact O-OG 2.9Å; L2068-S2070 VanDerWaalsContact C-N 3.35Å; S2070-R2072 VanDerWaalsContact C-N 3.31Å; S2070-R2072 PolarHBondContact O-N 2.92Å; S2070-R2072 VanDerWaalsContact O-N 3.12Å; S2070-K2073 PolarHBondContact O-N 3.05Å; S2070-V2074 PolarHBondContact O-N 2.92Å |
| 2071 | S | 35.6 | Very low | 34.8 | Very low | 76.6 Ų | 76.6 | 103.8 Ų | 103.8 | 54% | 0.536 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.4 | -20 | 175.8 | -167.1 | 0 | 0 | 0 | 0 | 113.4 | L2067 L2068 T2069 N2075 | L2067-S2071 WeakPolarHBondContact O-CB 3.47Å; L2067-S2071 PolarHBondContact O-N 3.08Å; L2068-S2071 PolarHBondContact O-N 3.01Å; T2069-S2071 VanDerWaalsContact C-N 3.31Å; T2069-S2071 PolarHBondContact O-N 3.25Å; S2071-N2075 PolarHBondContact O-ND2 3.21Å |
| 2072 | R | 34.5 | Very low | 33.5 | Very low | 170.8 Ų | 170.8 | 106.8 Ų | 106.8 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79.6 | -33.9 | 171.2 | -72.8 | -178.9 | -174.4 | 179.5 | 3.9 | 112.3 | L2068 T2069 S2070 V2074 N2075 S2076 E2104 | L2068-R2072 WeakPolarHBondContact O-CB 3.38Å; L2068-R2072 VanDerWaalsContact O-CG 3.26Å; L2068-R2072 WeakPolarHBondContact O-CG 3.41Å; L2068-R2072 PolarHBondContact O-N 3.12Å; L2068-R2072 VanDerWaalsContact O-N 3.1Å; T2069-R2072 WeakPolarHBondContact O-CB 3.4Å; T2069-R2072 PolarHBondContact O-N 3.2Å; T2069-R2072 VanDerWaalsContact O-N 3.16Å; S2070-R2072 VanDerWaalsContact C-N 3.31Å; S2070-R2072 PolarHBondContact O-N 2.92Å; S2070-R2072 VanDerWaalsContact O-N 3.12Å; R2072-V2074 PolarHBondContact O-N 3.37Å; R2072-N2075 CarbonylContact O-C 3.59Å; R2072-N2075 PolarHBondContact O-N 3.13Å; R2072-N2075 VanDerWaalsContact O-N 3.12Å; R2072-S2076 VanDerWaalsContact O-CB 3.24Å; R2072-S2076 WeakPolarHBondContact O-CB 3.33Å; R2072-S2076 PolarHBondContact O-N 3.02Å; R2072-S2076 VanDerWaalsContact O-N 3.17Å; R2072-S2076 PolarHBondContact O-OG 2.89Å; R2072-E2104 IonicContact NH2-OE2 3.8Å |
| 2073 | K | 30.3 | Very low | 32.5 | Very low | 157 Ų | 157 | 109.6 Ų | 109.6 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.4 | -25.4 | -176.2 | -78.7 | -177.7 | 176.3 | 179.9 | 0 | 115.2 | T2069 S2070 N2075 S2076 | T2069-K2073 VanDerWaalsContact O-CB 3.25Å; T2069-K2073 WeakPolarHBondContact O-CB 3.42Å; T2069-K2073 VanDerWaalsContact O-CG 3.28Å; T2069-K2073 WeakPolarHBondContact O-CG 3.42Å; T2069-K2073 PolarHBondContact O-N 3.31Å; T2069-K2073 VanDerWaalsContact O-N 3.07Å; S2070-K2073 PolarHBondContact O-N 3.05Å; K2073-N2075 VanDerWaalsContact C-N 3.32Å; K2073-N2075 PolarHBondContact O-N 3.14Å; K2073-S2076 PolarHBondContact O-N 3.02Å; K2073-S2076 PolarHBondContact O-OG 3.32Å |
| 2074 | V | 32.5 | Very low | 31.8 | Very low | 110 Ų | 110 | 112.7 Ų | 112.7 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -18.2 | 178.6 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | S2070 R2072 S2076 | S2070-V2074 PolarHBondContact O-N 2.92Å; R2072-V2074 PolarHBondContact O-N 3.37Å; V2074-S2076 VanDerWaalsContact C-N 3.26Å; V2074-S2076 PolarHBondContact O-N 3.2Å |
| 2075 | N | 29.6 | Very low | 31.1 | Very low | 138.8 Ų | 138.8 | 124.3 Ų | 124.3 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 10.3 | 179.5 | -71.4 | -8.5 | 0 | 0 | 0 | 113.9 | S2071 R2072 K2073 L2077 | S2071-N2075 PolarHBondContact O-ND2 3.21Å; R2072-N2075 CarbonylContact O-C 3.59Å; R2072-N2075 PolarHBondContact O-N 3.13Å; R2072-N2075 VanDerWaalsContact O-N 3.12Å; K2073-N2075 VanDerWaalsContact C-N 3.32Å; K2073-N2075 PolarHBondContact O-N 3.14Å; N2075-L2077 VanDerWaalsContact C-N 3.34Å |
| 2076 | S | 27 | Very low | 30.5 | Very low | 86.4 Ų | 86.4 | 125.4 Ų | 125.4 | 60% | 0.604 | 69% | 0.689 | S | S | * | * | trans | -114.2 | 29.8 | -177.9 | 73.3 | 0 | 0 | 0 | 0 | 114.2 | R2072 K2073 V2074 Q2078 | R2072-S2076 VanDerWaalsContact O-CB 3.24Å; R2072-S2076 WeakPolarHBondContact O-CB 3.33Å; R2072-S2076 PolarHBondContact O-N 3.02Å; R2072-S2076 VanDerWaalsContact O-N 3.17Å; R2072-S2076 PolarHBondContact O-OG 2.89Å; K2073-S2076 PolarHBondContact O-N 3.02Å; K2073-S2076 PolarHBondContact O-OG 3.32Å; V2074-S2076 VanDerWaalsContact C-N 3.26Å; V2074-S2076 PolarHBondContact O-N 3.2Å; S2076-Q2078 PolarHBondContact O-N 3.06Å | ||
| 2077 | L | 25.7 | Very low | 29.9 | Very low | 154.4 Ų | 154.4 | 123.2 Ų | 123.2 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | trans | -102.5 | 96.1 | 172.7 | -95.4 | 126.6 | 0 | 0 | 0 | 111.6 | N2075 Q2079 | N2075-L2077 VanDerWaalsContact C-N 3.34Å; L2077-Q2079 PolarHBondContact O-N 3.48Å | ||
| 2078 | Q | 26.4 | Very low | 29.5 | Very low | 181.4 Ų | 181.4 | 122.3 Ų | 122.3 | 85% | 0.848 | 71% | 0.71 | S | S | * | * | trans | 69.7 | 101.8 | 155.9 | -132.6 | 164 | -4.6 | 0 | 0 | 116.4 | S2076 P2080 | S2076-Q2078 PolarHBondContact O-N 3.06Å; Q2078-P2080 WeakPolarHBondContact O-CD 3.36Å | ||
| 2079 | Q | 26.8 | Very low | 29.2 | Very low | 181.6 Ų | 181.6 | 127.7 Ų | 127.7 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | trans | -107 | 136.6 | 143.9 | -71.7 | -179.9 | -21.2 | 0 | 0 | 109.6 | L2077 | L2077-Q2079 PolarHBondContact O-N 3.48Š| ||
| 2080 | P | 28.4 | Very low | 29 | Very low | 109.6 Ų | 109.6 | 129.2 Ų | 129.2 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | trans | -92.9 | 145.6 | 172 | 30.6 | -22.1 | 0 | 0 | 0 | 110.3 | Q2078 A2082 | Q2078-P2080 WeakPolarHBondContact O-CD 3.36Å; P2080-A2082 PolarHBondContact O-N 2.9Å; P2080-A2082 VanDerWaalsContact O-N 3.12Å | ||
| 2081 | N | 24 | Very low | 29.2 | Very low | 163.2 Ų | 163.2 | 129.4 Ų | 129.4 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | trans | 22.3 | 111.8 | 161.2 | -60.6 | -16.8 | 0 | 0 | 0 | 117.4 | ||||
| 2082 | A | 27 | Very low | 29.6 | Very low | 92.6 Ų | 92.6 | 128.6 Ų | 128.6 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | 172.5 | 110.1 | 151 | 0 | 0 | 0 | 0 | 0 | 113.4 | P2080 L2084 | P2080-A2082 PolarHBondContact O-N 2.9Å; P2080-A2082 VanDerWaalsContact O-N 3.12Å; A2082-L2084 VanDerWaalsContact C-N 3.32Å; A2082-L2084 PolarHBondContact O-N 3.3Å | ||
| 2083 | S | 25.7 | Very low | 30.2 | Very low | 107.2 Ų | 107.2 | 121 Ų | 121 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | trans | -32.6 | 129 | 159.2 | 57.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2084 | L | 27.2 | Very low | 30.9 | Very low | 162.8 Ų | 162.8 | 114.4 Ų | 114.4 | 85% | 0.852 | 69% | 0.688 | S | S | * | * | trans | 81.8 | 91.8 | 151.8 | -68.3 | 156.4 | 0 | 0 | 0 | 116.1 | A2082 G2086 | A2082-L2084 VanDerWaalsContact C-N 3.32Å; A2082-L2084 PolarHBondContact O-N 3.3Å; L2084-G2086 PolarHBondContact O-N 3.03Å | ||
| 2085 | R | 25.9 | Very low | 31.6 | Very low | 252.4 Ų | 252.4 | 115.3 Ų | 115.3 | 95% | 0.952 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 102.1 | 118.1 | 142.5 | -113.8 | 172.7 | -167.7 | -119 | 1.8 | 115.7 | ||
| 2086 | G | 26.1 | Very low | 32.3 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 88% | 0.876 | 67% | 0.668 | S | S | * | * | trans | 92.4 | 89.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | L2084 G2088 | L2084-G2086 PolarHBondContact O-N 3.03Å; G2086-G2088 PolarHBondContact O-N 3.18Å | ||
| 2087 | G | 25.8 | Very low | 33.3 | Very low | 78.2 Ų | 78.2 | 109.2 Ų | 109.2 | 81% | 0.806 | 65% | 0.645 | S | S | * | * | trans | -171.3 | 66.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N2089 | G2087-N2089 PolarHBondContact O-N 3.3Š| ||
| 2088 | G | 28.3 | Very low | 34.3 | Very low | 75.4 Ų | 75.4 | 105.1 Ų | 105.1 | 78% | 0.777 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 123.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G2086 | G2086-G2088 PolarHBondContact O-N 3.18Š|
| 2089 | N | 31 | Very low | 35.4 | Very low | 155 Ų | 155 | 97.3 Ų | 97.3 | 83% | 0.829 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 138.8 | 168.3 | -73.2 | -31.1 | 0 | 0 | 0 | 110.2 | G2087 | G2087-N2089 PolarHBondContact O-N 3.3Š|
| 2090 | P | 36.1 | Very low | 36.5 | Very low | 107.6 Ų | 107.6 | 91.9 Ų | 91.9 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 135.5 | 179.2 | 26.2 | -32.9 | 0 | 0 | 0 | 110.8 | ||
| 2091 | P | 39.4 | Very low | 37.6 | Very low | 72.4 Ų | 72.4 | 90.1 Ų | 90.1 | 47% | 0.47 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -63 | 147.2 | -177.8 | 24.7 | -33.3 | 0 | 0 | 0 | 112.2 | L2096 | P2091-L2096 HydrophobicContact CB-CD1 4.34Å; P2091-L2096 HydrophobicContact CB-CD2 4.41Å; P2091-L2096 HydrophobicContact CB-CG 4.25Å; P2091-L2096 HydrophobicContact CG-CD1 4.17Å; P2091-L2096 HydrophobicContact CG-CD2 4.03Å; P2091-L2096 HydrophobicContact CG-CG 4.15Å |
| 2092 | T | 44.2 | Very low | 39.1 | Very low | 58.8 Ų | 58.8 | 82.9 Ų | 82.9 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 145.2 | -178.6 | -43 | 0 | 0 | 0 | 0 | 110.3 | S2094 Q2095 L2096 | T2092-S2094 VanDerWaalsContact C-N 3.26Å; T2092-S2094 PolarHBondContact O-N 3.01Å; T2092-S2094 VanDerWaalsContact O-N 3.16Å; T2092-Q2095 VanDerWaalsContact CB-OE1 3.27Å; T2092-Q2095 WeakPolarHBondContact O-CA 3.38Å; T2092-Q2095 WeakPolarHBondContact O-CB 3.28Å; T2092-Q2095 PolarHBondContact O-N 3.03Å; T2092-Q2095 VanDerWaalsContact O-N 3.11Å; T2092-Q2095 PolarHBondContact OG1-OE1 3Å; T2092-L2096 PolarHBondContact O-N 3.19Å; T2092-L2096 VanDerWaalsContact O-N 3.11Å |
| 2093 | V | 45.8 | Very low | 40.5 | Very low | 11.6 Ų | 11.6 | 81.3 Ų | 81.3 | 7% | 0.07 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -58.3 | -33.8 | -179.4 | 174 | 0 | 0 | 0 | 0 | 112.2 | L2044 Q2095 L2096 T2097 L2305 A2309 R2312 | L2044-V2093 HydrophobicContact CB-CG1 4.26Å; L2044-V2093 HydrophobicContact CD1-CG1 4.42Å; L2044-V2093 HydrophobicContact CD2-CG1 4.19Å; L2044-V2093 HydrophobicContact CD2-CG2 4.49Å; L2044-V2093 HydrophobicContact CG-CG1 4.46Å; V2093-Q2095 VanDerWaalsContact C-N 3.29Å; V2093-Q2095 PolarHBondContact O-N 2.82Å; V2093-L2096 PolarHBondContact O-N 3.12Å; V2093-L2096 VanDerWaalsContact O-N 3.15Å; V2093-T2097 HydrophobicContact CG1-CG2 4.15Å; V2093-T2097 WeakPolarHBondContact O-CB 3.3Å; V2093-T2097 VanDerWaalsContact O-CG2 3.32Å; V2093-T2097 WeakPolarHBondContact O-CG2 3.26Å; V2093-T2097 PolarHBondContact O-N 3.09Å; V2093-T2097 VanDerWaalsContact O-N 3.15Å; V2093-T2097 PolarHBondContact O-OG1 2.94Å; V2093-L2305 HydrophobicContact CG2-CB 4.34Å; V2093-L2305 HydrophobicContact CG2-CD2 4.02Å; V2093-A2309 HydrophobicContact CG1-CB 4.36Å; V2093-A2309 HydrophobicContact CG2-CB 4.31Å; V2093-R2312 VanDerWaalsContact CG2-NH1 3.29Å |
| 2094 | S | 46.6 | Very low | 41.9 | Very low | 18.8 Ų | 18.8 | 81.5 Ų | 81.5 | 13% | 0.131 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 172.1 | -18.8 | 0 | 0 | 0 | 0 | 112.7 | T2092 L2096 T2097 G2098 L2099 P2100 D2101 S2102 | T2092-S2094 VanDerWaalsContact C-N 3.26Å; T2092-S2094 PolarHBondContact O-N 3.01Å; T2092-S2094 VanDerWaalsContact O-N 3.16Å; S2094-L2096 VanDerWaalsContact C-N 3.32Å; S2094-L2096 PolarHBondContact O-N 2.91Å; S2094-T2097 PolarHBondContact O-N 3.24Å; S2094-T2097 PolarHBondContact O-OG1 2.89Å; S2094-G2098 PolarHBondContact O-N 3.25Å; S2094-L2099 CarbonylContact C-O 3.46Å; S2094-L2099 WeakPolarHBondContact CB-O 3.48Å; S2094-L2099 PolarHBondContact O-N 2.89Å; S2094-L2099 VanDerWaalsContact O-O 3.09Å; S2094-P2100 WeakPolarHBondContact CB-O 3.45Å; S2094-P2100 PolarHBondContact OG-O 3.24Å; S2094-D2101 VanDerWaalsContact CB-OD1 3.23Å; S2094-D2101 WeakPolarHBondContact CB-OD1 3.42Å; S2094-D2101 PolarHBondContact OG-OD1 3.35Å; S2094-S2102 PolarHBondContact OG-N 3.41Å; S2094-S2102 PolarHBondContact OG-OG 3.27Å; S2094-S2102 VanDerWaalsContact OG-OG 3.11Å |
| 2095 | Q | 47.5 | Very low | 43.4 | Very low | 128.8 Ų | 128.8 | 74.4 Ų | 74.4 | 60% | 0.602 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.8 | -27.8 | 176.9 | -63.9 | 171.3 | -28.2 | 0 | 0 | 112.6 | T2092 V2093 D2101 | T2092-Q2095 VanDerWaalsContact CB-OE1 3.27Å; T2092-Q2095 WeakPolarHBondContact O-CA 3.38Å; T2092-Q2095 WeakPolarHBondContact O-CB 3.28Å; T2092-Q2095 PolarHBondContact O-N 3.03Å; T2092-Q2095 VanDerWaalsContact O-N 3.11Å; T2092-Q2095 PolarHBondContact OG1-OE1 3Å; V2093-Q2095 VanDerWaalsContact C-N 3.29Å; V2093-Q2095 PolarHBondContact O-N 2.82Å; Q2095-D2101 PolarHBondContact NE2-OD2 3.35Å |
| 2096 | L | 44.3 | Very low | 45.2 | Very low | 74.4 Ų | 74.4 | 62.5 Ų | 62.5 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -80.8 | -33.6 | 176.5 | -72.5 | 167.1 | 0 | 0 | 0 | 113 | P2091 T2092 V2093 S2094 G2098 L2305 | P2091-L2096 HydrophobicContact CB-CD1 4.34Å; P2091-L2096 HydrophobicContact CB-CD2 4.41Å; P2091-L2096 HydrophobicContact CB-CG 4.25Å; P2091-L2096 HydrophobicContact CG-CD1 4.17Å; P2091-L2096 HydrophobicContact CG-CD2 4.03Å; P2091-L2096 HydrophobicContact CG-CG 4.15Å; T2092-L2096 PolarHBondContact O-N 3.19Å; T2092-L2096 VanDerWaalsContact O-N 3.11Å; V2093-L2096 PolarHBondContact O-N 3.12Å; V2093-L2096 VanDerWaalsContact O-N 3.15Å; S2094-L2096 VanDerWaalsContact C-N 3.32Å; S2094-L2096 PolarHBondContact O-N 2.91Å; L2096-G2098 PolarHBondContact O-N 3.06Å; L2096-L2305 HydrophobicContact CD1-CD1 3.8Å; L2096-L2305 HydrophobicContact CD1-CD2 4.35Å |
| 2097 | T | 47.9 | Very low | 46.9 | Very low | 21.2 Ų | 21.2 | 60 Ų | 60 | 13% | 0.13 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -95.3 | -7.2 | -170.9 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | L2044 T2045 V2093 S2094 L2099 | L2044-T2097 HydrophobicContact CB-CG2 3.69Å; L2044-T2097 HydrophobicContact CD1-CG2 4.34Å; T2045-T2097 HydrophobicContact CG2-CG2 4.19Å; V2093-T2097 HydrophobicContact CG1-CG2 4.15Å; V2093-T2097 WeakPolarHBondContact O-CB 3.3Å; V2093-T2097 VanDerWaalsContact O-CG2 3.32Å; V2093-T2097 WeakPolarHBondContact O-CG2 3.26Å; V2093-T2097 PolarHBondContact O-N 3.09Å; V2093-T2097 VanDerWaalsContact O-N 3.15Å; V2093-T2097 PolarHBondContact O-OG1 2.94Å; S2094-T2097 PolarHBondContact O-N 3.24Å; S2094-T2097 PolarHBondContact O-OG1 2.89Å; T2097-L2099 PolarHBondContact O-N 3.07Å; T2097-L2099 VanDerWaalsContact O-N 3.14Å |
| 2098 | G | 45.7 | Very low | 48.8 | Very low | 69.4 Ų | 69.4 | 62 Ų | 62 | 72% | 0.715 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 8.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | S2094 L2096 P2100 | S2094-G2098 PolarHBondContact O-N 3.25Å; L2096-G2098 PolarHBondContact O-N 3.06Å; G2098-P2100 WeakPolarHBondContact O-CD 3.46Å |
| 2099 | L | 50.5 | Low | 50.5 | Low | 16.4 Ų | 16.4 | 59.1 Ų | 59.1 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -84.3 | 129.7 | 167.3 | -83.5 | 138.3 | 0 | 0 | 0 | 108.5 | A2048 S2094 T2097 D2101 | A2048-L2099 HydrophobicContact CB-CD1 3.75Å; A2048-L2099 HydrophobicContact CB-CD2 4.21Å; S2094-L2099 CarbonylContact C-O 3.46Å; S2094-L2099 WeakPolarHBondContact CB-O 3.48Å; S2094-L2099 PolarHBondContact O-N 2.89Å; S2094-L2099 VanDerWaalsContact O-O 3.09Å; T2097-L2099 PolarHBondContact O-N 3.07Å; T2097-L2099 VanDerWaalsContact O-N 3.14Å; L2099-D2101 PolarHBondContact O-N 3.06Å |
| 2100 | P | 48.8 | Very low | 52 | Low | 69.2 Ų | 69.2 | 51.8 Ų | 51.8 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | trans | -55.9 | 143.4 | 175.9 | 25.1 | -33.6 | 0 | 0 | 0 | 109.7 | F1980 S2094 G2098 S2102 | F1980-P2100 HydrophobicContact CD1-CG 3.63Å; F1980-P2100 HydrophobicContact CE1-CG 3.61Å; S2094-P2100 WeakPolarHBondContact CB-O 3.45Å; S2094-P2100 PolarHBondContact OG-O 3.24Å; G2098-P2100 WeakPolarHBondContact O-CD 3.46Å; P2100-S2102 VanDerWaalsContact C-N 3.34Å; P2100-S2102 WeakPolarHBondContact O-CA 3.41Å; P2100-S2102 PolarHBondContact O-N 3.2Å | ||
| 2101 | D | 51.3 | Low | 53.3 | Low | 71.2 Ų | 71.2 | 50.8 Ų | 50.8 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | trans | -31.7 | 94 | -179.1 | -80.7 | -38 | 0 | 0 | 0 | 111.1 | S2094 Q2095 L2099 I2103 E2104 G2105 | S2094-D2101 VanDerWaalsContact CB-OD1 3.23Å; S2094-D2101 WeakPolarHBondContact CB-OD1 3.42Å; S2094-D2101 PolarHBondContact OG-OD1 3.35Å; Q2095-D2101 PolarHBondContact NE2-OD2 3.35Å; L2099-D2101 PolarHBondContact O-N 3.06Å; D2101-I2103 CarbonylContact O-C 3.53Å; D2101-I2103 PolarHBondContact O-N 3.07Å; D2101-E2104 HydrophobicContact CB-CB 3.88Å; D2101-E2104 PolarHBondContact O-N 3.2Å; D2101-E2104 VanDerWaalsContact O-N 3.12Å; D2101-G2105 PolarHBondContact O-N 3.24Å; D2101-G2105 VanDerWaalsContact O-N 3.07Å | ||
| 2102 | S | 56.3 | Low | 54.4 | Low | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -5.9 | -164.7 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | Q2051 S2094 P2100 A2106 | Q2051-S2102 PolarHBondContact NE2-OG 2.97Å; Q2051-S2102 VanDerWaalsContact NE2-OG 3.15Å; S2094-S2102 PolarHBondContact OG-N 3.41Å; S2094-S2102 PolarHBondContact OG-OG 3.27Å; S2094-S2102 VanDerWaalsContact OG-OG 3.11Å; P2100-S2102 VanDerWaalsContact C-N 3.34Å; P2100-S2102 WeakPolarHBondContact O-CA 3.41Å; P2100-S2102 PolarHBondContact O-N 3.2Å; S2102-A2106 VanDerWaalsContact O-CB 3.23Å; S2102-A2106 WeakPolarHBondContact O-CB 3.33Å; S2102-A2106 PolarHBondContact O-N 3.02Å; S2102-A2106 VanDerWaalsContact O-N 3.09Å |
| 2103 | I | 55.3 | Low | 55.2 | Low | 58.8 Ų | 58.8 | 47.8 Ų | 47.8 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -42.9 | 175.8 | -58.4 | 171.7 | 0 | 0 | 0 | 110.9 | Q2051 L2068 D2101 A2106 L2107 R2312 | Q2051-I2103 VanDerWaalsContact NE2-CG1 3.3Å; L2068-I2103 HydrophobicContact CD1-CG2 4Å; L2068-I2103 HydrophobicContact CD2-CG2 4.05Å; L2068-I2103 HydrophobicContact CG-CG2 4.41Å; D2101-I2103 CarbonylContact O-C 3.53Å; D2101-I2103 PolarHBondContact O-N 3.07Å; I2103-A2106 PolarHBondContact O-N 3.11Å; I2103-L2107 HydrophobicContact CG2-CD1 4.4Å; I2103-L2107 WeakPolarHBondContact O-CB 3.44Å; I2103-L2107 VanDerWaalsContact O-CG 3.27Å; I2103-L2107 WeakPolarHBondContact O-CG 3.31Å; I2103-L2107 PolarHBondContact O-N 3.07Å; I2103-R2312 HydrophobicContact CD1-CG 4.35Å |
| 2104 | E | 56.8 | Low | 55.8 | Low | 112 Ų | 112 | 52.6 Ų | 52.6 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.9 | -46.9 | -178.2 | -164.5 | 160.1 | -165.6 | 0 | 0 | 110.3 | R2072 D2101 A2106 L2107 E2108 | R2072-E2104 IonicContact NH2-OE2 3.8Å; D2101-E2104 HydrophobicContact CB-CB 3.88Å; D2101-E2104 PolarHBondContact O-N 3.2Å; D2101-E2104 VanDerWaalsContact O-N 3.12Å; E2104-A2106 VanDerWaalsContact C-N 3.29Å; E2104-A2106 PolarHBondContact O-N 3.17Å; E2104-L2107 WeakPolarHBondContact O-CB 3.35Å; E2104-L2107 PolarHBondContact O-N 3.03Å; E2104-E2108 PolarHBondContact O-N 3.19Å; E2104-E2108 VanDerWaalsContact O-N 3.07Å |
| 2105 | G | 57.9 | Low | 56.1 | Low | 14.2 Ų | 14.2 | 58 Ų | 58 | 15% | 0.146 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -30.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | D2101 L2107 E2108 I2109 | D2101-G2105 PolarHBondContact O-N 3.24Å; D2101-G2105 VanDerWaalsContact O-N 3.07Å; G2105-L2107 VanDerWaalsContact C-N 3.33Å; G2105-E2108 PolarHBondContact O-N 3.01Å; G2105-I2109 WeakPolarHBondContact O-CB 3.26Å; G2105-I2109 VanDerWaalsContact O-CD1 3.31Å; G2105-I2109 WeakPolarHBondContact O-CD1 3.26Å; G2105-I2109 WeakPolarHBondContact O-CG1 3.3Å; G2105-I2109 PolarHBondContact O-N 2.99Å |
| 2106 | A | 63.1 | Low | 56.2 | Low | 2.6 Ų | 2.6 | 56 Ų | 56 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1980 H2055 T2056 S2102 I2103 E2104 A2110 | F1980-A2106 HydrophobicContact CZ-CB 4.35Å; H2055-A2106 HydrophobicContact CB-CB 4.18Å; T2056-A2106 VanDerWaalsContact OG1-CA 3.24Å; T2056-A2106 WeakPolarHBondContact OG1-CA 3.25Å; T2056-A2106 VanDerWaalsContact OG1-CB 3.31Å; T2056-A2106 WeakPolarHBondContact OG1-CB 3.45Å; T2056-A2106 PolarHBondContact OG1-O 3.24Å; S2102-A2106 VanDerWaalsContact O-CB 3.23Å; S2102-A2106 WeakPolarHBondContact O-CB 3.33Å; S2102-A2106 PolarHBondContact O-N 3.02Å; S2102-A2106 VanDerWaalsContact O-N 3.09Å; I2103-A2106 PolarHBondContact O-N 3.11Å; E2104-A2106 VanDerWaalsContact C-N 3.29Å; E2104-A2106 PolarHBondContact O-N 3.17Å; A2106-A2110 VanDerWaalsContact O-CB 3.26Å; A2106-A2110 WeakPolarHBondContact O-CB 3.35Å; A2106-A2110 PolarHBondContact O-N 3.19Å; A2106-A2110 VanDerWaalsContact O-N 3.11Å |
| 2107 | L | 63.1 | Low | 56 | Low | 31.6 Ų | 31.6 | 56.7 Ų | 56.7 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.7 | -46 | 174.1 | -93.5 | 161.5 | 0 | 0 | 0 | 111.4 | V2061 S2064 L2068 I2103 E2104 G2105 I2109 A2110 E2111 | V2061-L2107 HydrophobicContact CG1-CD2 4.39Å; S2064-L2107 WeakPolarHBondContact OG-CD1 3.14Å; S2064-L2107 WeakPolarHBondContact OG-CD2 3.42Å; L2068-L2107 HydrophobicContact CD1-CD1 3.99Å; L2068-L2107 HydrophobicContact CD1-CD2 4.43Å; I2103-L2107 HydrophobicContact CG2-CD1 4.4Å; I2103-L2107 WeakPolarHBondContact O-CB 3.44Å; I2103-L2107 VanDerWaalsContact O-CG 3.27Å; I2103-L2107 WeakPolarHBondContact O-CG 3.31Å; I2103-L2107 PolarHBondContact O-N 3.07Å; E2104-L2107 WeakPolarHBondContact O-CB 3.35Å; E2104-L2107 PolarHBondContact O-N 3.03Å; G2105-L2107 VanDerWaalsContact C-N 3.33Å; L2107-I2109 VanDerWaalsContact C-N 3.33Å; L2107-I2109 PolarHBondContact O-N 3.26Å; L2107-A2110 CarbonylContact O-C 3.54Å; L2107-A2110 WeakPolarHBondContact O-CB 3.08Å; L2107-A2110 PolarHBondContact O-N 3.24Å; L2107-A2110 VanDerWaalsContact O-N 3.11Å; L2107-E2111 HydrophobicContact CD2-CG 4.35Å; L2107-E2111 VanDerWaalsContact CD2-OE1 3.27Å; L2107-E2111 WeakPolarHBondContact CD2-OE1 3.34Å; L2107-E2111 WeakPolarHBondContact O-CB 3.39Å; L2107-E2111 WeakPolarHBondContact O-CG 3.34Å; L2107-E2111 PolarHBondContact O-N 2.91Å |
| 2108 | E | 64.2 | Low | 55.3 | Low | 120.4 Ų | 120.4 | 61.6 Ų | 61.6 | 56% | 0.563 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.8 | -46 | 175.5 | -136 | -179.6 | -178.7 | 0 | 0 | 111.3 | E2104 G2105 A2110 E2111 I2112 | E2104-E2108 PolarHBondContact O-N 3.19Å; E2104-E2108 VanDerWaalsContact O-N 3.07Å; G2105-E2108 PolarHBondContact O-N 3.01Å; E2108-A2110 VanDerWaalsContact C-N 3.34Å; E2108-A2110 PolarHBondContact O-N 3.07Å; E2108-E2111 PolarHBondContact O-N 3.03Å; E2108-I2112 HydrophobicContact CG-CD1 4.02Å; E2108-I2112 VanDerWaalsContact O-CB 3.25Å; E2108-I2112 WeakPolarHBondContact O-CB 3.4Å; E2108-I2112 WeakPolarHBondContact O-CD1 3.46Å; E2108-I2112 VanDerWaalsContact O-CG1 3.23Å; E2108-I2112 WeakPolarHBondContact O-CG1 3.4Å; E2108-I2112 PolarHBondContact O-N 3.24Å |
| 2109 | I | 64 | Low | 54.5 | Low | 13.8 Ų | 13.8 | 65.5 Ų | 65.5 | 7% | 0.071 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.2 | -66.8 | 163.2 | 0 | 0 | 0 | 111.1 | F1980 L1983 T2056 G2105 L2107 I2112 L2113 | F1980-I2109 HydrophobicContact CD1-CD1 4.36Å; F1980-I2109 HydrophobicContact CE1-CD1 4.1Å; F1980-I2109 HydrophobicContact CE2-CD1 4.32Å; F1980-I2109 HydrophobicContact CZ-CD1 4.01Å; F1980-I2109 WeakPolarHBondContact O-CD1 3.26Å; L1983-I2109 HydrophobicContact CB-CD1 4.35Å; L1983-I2109 HydrophobicContact CB-CG2 4.35Å; L1983-I2109 HydrophobicContact CD2-CD1 4.48Å; L1983-I2109 HydrophobicContact CD2-CG2 4.26Å; L1983-I2109 HydrophobicContact CG-CG2 4.26Å; T2056-I2109 HydrophobicContact CG2-CB 4.19Å; T2056-I2109 HydrophobicContact CG2-CG2 3.72Å; G2105-I2109 WeakPolarHBondContact O-CB 3.26Å; G2105-I2109 VanDerWaalsContact O-CD1 3.31Å; G2105-I2109 WeakPolarHBondContact O-CD1 3.26Å; G2105-I2109 WeakPolarHBondContact O-CG1 3.3Å; G2105-I2109 PolarHBondContact O-N 2.99Å; L2107-I2109 VanDerWaalsContact C-N 3.33Å; L2107-I2109 PolarHBondContact O-N 3.26Å; I2109-I2112 PolarHBondContact O-N 3.12Å; I2109-L2113 HydrophobicContact CG2-CD1 3.9Å; I2109-L2113 HydrophobicContact CG2-CG 4.44Å; I2109-L2113 WeakPolarHBondContact O-CB 3.38Å; I2109-L2113 VanDerWaalsContact O-CG 3.27Å; I2109-L2113 WeakPolarHBondContact O-CG 3.35Å; I2109-L2113 PolarHBondContact O-N 3.16Å |
| 2110 | A | 62.8 | Low | 53.6 | Low | 1.8 Ų | 1.8 | 70 Ų | 70 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T2056 V2061 A2106 L2107 E2108 L2113 Y2114 Y2227 | T2056-A2110 HydrophobicContact CG2-CB 4.27Å; T2056-A2110 WeakPolarHBondContact O-CB 3.5Å; V2061-A2110 HydrophobicContact CG2-CB 3.87Å; A2106-A2110 VanDerWaalsContact O-CB 3.26Å; A2106-A2110 WeakPolarHBondContact O-CB 3.35Å; A2106-A2110 PolarHBondContact O-N 3.19Å; A2106-A2110 VanDerWaalsContact O-N 3.11Å; L2107-A2110 CarbonylContact O-C 3.54Å; L2107-A2110 WeakPolarHBondContact O-CB 3.08Å; L2107-A2110 PolarHBondContact O-N 3.24Å; L2107-A2110 VanDerWaalsContact O-N 3.11Å; E2108-A2110 VanDerWaalsContact C-N 3.34Å; E2108-A2110 PolarHBondContact O-N 3.07Å; A2110-L2113 CarbonylContact O-C 3.27Å; A2110-L2113 PolarHBondContact O-N 3.26Å; A2110-Y2114 VanDerWaalsContact O-CB 3.23Å; A2110-Y2114 WeakPolarHBondContact O-CB 3.39Å; A2110-Y2114 PolarHBondContact O-N 2.84Å; A2110-Y2227 HydrophobicContact CB-CE2 4.47Å |
| 2111 | E | 63.4 | Low | 52.6 | Low | 88 Ų | 88 | 72.1 Ų | 72.1 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 175.1 | -77.7 | -178.1 | -176.1 | 0 | 0 | 111.6 | V2061 L2107 E2108 L2113 Y2114 H2115 | V2061-E2111 HydrophobicContact CG1-CB 4.41Å; V2061-E2111 HydrophobicContact CG1-CG 3.5Å; V2061-E2111 VanDerWaalsContact CG1-CG 3.45Å; V2061-E2111 WeakPolarHBondContact CG1-OE1 3.3Å; V2061-E2111 HydrophobicContact CG2-CG 4.38Å; L2107-E2111 HydrophobicContact CD2-CG 4.35Å; L2107-E2111 VanDerWaalsContact CD2-OE1 3.27Å; L2107-E2111 WeakPolarHBondContact CD2-OE1 3.34Å; L2107-E2111 WeakPolarHBondContact O-CB 3.39Å; L2107-E2111 WeakPolarHBondContact O-CG 3.34Å; L2107-E2111 PolarHBondContact O-N 2.91Å; E2108-E2111 PolarHBondContact O-N 3.03Å; E2111-L2113 PolarHBondContact O-N 3.2Å; E2111-Y2114 PolarHBondContact O-N 3.22Å; E2111-Y2114 VanDerWaalsContact O-N 3.14Å; E2111-H2115 VanDerWaalsContact O-CB 3.3Å; E2111-H2115 WeakPolarHBondContact O-CB 3.37Å; E2111-H2115 PolarHBondContact O-CD2 3.13Å; E2111-H2115 PolarHBondContact O-N 3.26Å |
| 2112 | I | 63 | Low | 51.5 | Low | 55.6 Ų | 55.6 | 76.3 Ų | 76.3 | 29% | 0.285 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 176 | -70.4 | 164.3 | 0 | 0 | 0 | 110.5 | P1827 E2108 I2109 Y2114 H2116 | P1827-I2112 HydrophobicContact CB-CG2 4.22Å; E2108-I2112 HydrophobicContact CG-CD1 4.02Å; E2108-I2112 VanDerWaalsContact O-CB 3.25Å; E2108-I2112 WeakPolarHBondContact O-CB 3.4Å; E2108-I2112 WeakPolarHBondContact O-CD1 3.46Å; E2108-I2112 VanDerWaalsContact O-CG1 3.23Å; E2108-I2112 WeakPolarHBondContact O-CG1 3.4Å; E2108-I2112 PolarHBondContact O-N 3.24Å; I2109-I2112 PolarHBondContact O-N 3.12Å; I2112-Y2114 VanDerWaalsContact C-N 3.28Å; I2112-Y2114 PolarHBondContact O-N 3.05Å; I2112-H2116 VanDerWaalsContact O-CB 3.25Å; I2112-H2116 WeakPolarHBondContact O-CB 3.35Å; I2112-H2116 PolarHBondContact O-CD2 2.97Å; I2112-H2116 VanDerWaalsContact O-CD2 3.23Å; I2112-H2116 PolarHBondContact O-N 2.96Å; I2112-H2116 VanDerWaalsContact O-N 3.13Å |
| 2113 | L | 61.8 | Low | 50.3 | Low | 12.2 Ų | 12.2 | 81.4 Ų | 81.4 | 6% | 0.064 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70.1 | -24.5 | 179.1 | -70.4 | 173.5 | 0 | 0 | 0 | 113.2 | Y1829 S1984 I1990 T2056 F2057 I2109 A2110 E2111 H2225 Y2227 | Y1829-L2113 WeakPolarHBondContact OH-CD2 3.43Å; S1984-L2113 WeakPolarHBondContact O-CD2 3.26Å; I1990-L2113 HydrophobicContact CD1-CD1 3.95Å; I1990-L2113 HydrophobicContact CD1-CD2 4.33Å; T2056-L2113 HydrophobicContact CG2-CD1 4.34Å; F2057-L2113 HydrophobicContact CE1-CD1 3.88Å; F2057-L2113 HydrophobicContact CZ-CD1 4.23Å; I2109-L2113 HydrophobicContact CG2-CD1 3.9Å; I2109-L2113 HydrophobicContact CG2-CG 4.44Å; I2109-L2113 WeakPolarHBondContact O-CB 3.38Å; I2109-L2113 VanDerWaalsContact O-CG 3.27Å; I2109-L2113 WeakPolarHBondContact O-CG 3.35Å; I2109-L2113 PolarHBondContact O-N 3.16Å; A2110-L2113 CarbonylContact O-C 3.27Å; A2110-L2113 PolarHBondContact O-N 3.26Å; E2111-L2113 PolarHBondContact O-N 3.2Å; L2113-H2225 PolarHBondContact O-CE1 3.25Å; L2113-Y2227 HydrophobicContact CB-CD2 3.97Å; L2113-Y2227 HydrophobicContact CB-CE2 4.47Å; L2113-Y2227 HydrophobicContact CD1-CD2 4.36Å |
| 2114 | Y | 58 | Low | 49 | Very low | 112.4 Ų | 112.4 | 84.6 Ų | 84.6 | 44% | 0.441 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -89.2 | -40.2 | -178.8 | -168.8 | -94.5 | 0 | 0 | 0 | 113.2 | V2061 A2110 E2111 I2112 H2116 F2203 | V2061-Y2114 HydrophobicContact CB-CD1 3.95Å; V2061-Y2114 HydrophobicContact CB-CE1 4.4Å; V2061-Y2114 HydrophobicContact CB-CG 4.13Å; V2061-Y2114 HydrophobicContact CG1-CD1 4.14Å; V2061-Y2114 HydrophobicContact CG2-CD1 4.24Å; V2061-Y2114 HydrophobicContact CG2-CD2 4.4Å; V2061-Y2114 HydrophobicContact CG2-CG 4.07Å; A2110-Y2114 VanDerWaalsContact O-CB 3.23Å; A2110-Y2114 WeakPolarHBondContact O-CB 3.39Å; A2110-Y2114 PolarHBondContact O-N 2.84Å; E2111-Y2114 PolarHBondContact O-N 3.22Å; E2111-Y2114 VanDerWaalsContact O-N 3.14Å; I2112-Y2114 VanDerWaalsContact C-N 3.28Å; I2112-Y2114 PolarHBondContact O-N 3.05Å; Y2114-H2116 VanDerWaalsContact C-N 3.31Å; Y2114-H2116 PolarHBondContact O-N 2.95Å; Y2114-F2203 AromaticContact CE2-CE2 3.67Å; Y2114-F2203 HydrophobicContact CE2-CE2 4.06Å; Y2114-F2203 AromaticContact CE2-CZ 3.64Å; Y2114-F2203 HydrophobicContact CE2-CZ 3.64Å; Y2114-F2203 AromaticContact CZ-CE2 3.73Å; Y2114-F2203 AromaticContact CZ-CZ 3.56Å; Y2114-F2203 WeakPolarHBondContact OH-CE2 3.39Å; Y2114-F2203 WeakPolarHBondContact OH-CZ 3.43Å |
| 2115 | H | 52.5 | Low | 47.7 | Very low | 132.6 Ų | 132.6 | 82 Ų | 82 | 61% | 0.614 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -76.9 | -10.1 | -174.8 | -92.4 | -75.8 | 0 | 0 | 0 | 115 | E2111 K2117 L2118 | E2111-H2115 VanDerWaalsContact O-CB 3.3Å; E2111-H2115 WeakPolarHBondContact O-CB 3.37Å; E2111-H2115 PolarHBondContact O-CD2 3.13Å; E2111-H2115 PolarHBondContact O-N 3.26Å; H2115-K2117 PolarHBondContact O-N 3.24Å; H2115-L2118 PolarHBondContact O-N 2.68Å |
| 2116 | H | 48.8 | Very low | 46.5 | Very low | 87.2 Ų | 87.2 | 87.7 Ų | 87.7 | 40% | 0.404 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 13.3 | -174 | -99.5 | -51.1 | 0 | 0 | 0 | 116.5 | K1826 Y1829 G1830 I2112 Y2114 | K1826-H2116 WeakPolarHBondContact CE-NE2 3.46Å; K1826-H2116 PolarHBondContact NZ-CE1 3.11Å; K1826-H2116 PolarHBondContact NZ-NE2 3.16Å; Y1829-H2116 VanDerWaalsContact CA-NE2 3.31Å; Y1829-H2116 WeakPolarHBondContact CA-NE2 2.94Å; Y1829-H2116 AromaticContact CE2-NE2 3.99Å; Y1829-H2116 AromaticContact CZ-CD2 3.73Å; Y1829-H2116 AromaticContact CZ-NE2 3.84Å; Y1829-H2116 PolarHBondContact OH-CD2 3.26Å; Y1829-H2116 PolarHBondContact OH-NE2 3Å; Y1829-H2116 VanDerWaalsContact OH-NE2 3.07Å; G1830-H2116 PolarHBondContact N-CE1 3.46Å; G1830-H2116 PolarHBondContact N-NE2 2.92Å; G1830-H2116 VanDerWaalsContact N-NE2 3.18Å; G1830-H2116 PolarHBondContact O-CE1 3.36Å; G1830-H2116 PolarHBondContact O-ND1 2.91Å; I2112-H2116 VanDerWaalsContact O-CB 3.25Å; I2112-H2116 WeakPolarHBondContact O-CB 3.35Å; I2112-H2116 PolarHBondContact O-CD2 2.97Å; I2112-H2116 VanDerWaalsContact O-CD2 3.23Å; I2112-H2116 PolarHBondContact O-N 2.96Å; I2112-H2116 VanDerWaalsContact O-N 3.13Å; Y2114-H2116 VanDerWaalsContact C-N 3.31Å; Y2114-H2116 PolarHBondContact O-N 2.95Å |
| 2117 | K | 41.5 | Very low | 44.9 | Very low | 87.8 Ų | 87.8 | 95 Ų | 95 | 38% | 0.382 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 16.8 | -178.3 | -128.7 | 179.1 | -177.3 | 179.6 | 0 | 116.9 | C1832 H2115 F2203 | C1832-K2117 VanDerWaalsContact SG-CE 3.55Å; C1832-K2117 PolarHBondContact SG-NZ 3Å; C1832-K2117 VanDerWaalsContact SG-NZ 3.36Å; H2115-K2117 PolarHBondContact O-N 3.24Å; K2117-F2203 HydrophobicContact CD-CE2 4.41Å; K2117-F2203 HydrophobicContact CD-CZ 4.28Å |
| 2118 | L | 33.1 | Very low | 43.4 | Very low | 125.2 Ų | 125.2 | 98.7 Ų | 98.7 | 66% | 0.655 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -117.1 | 37.2 | -179.1 | -78.2 | 170.9 | 0 | 0 | 0 | 117.5 | H2115 P2120 | H2115-L2118 PolarHBondContact O-N 2.68Å; L2118-P2120 WeakPolarHBondContact O-CD 3.42Å |
| 2119 | N | 28.5 | Very low | 41.6 | Very low | 151.4 Ų | 151.4 | 101.9 Ų | 101.9 | 81% | 0.81 | 57% | 0.572 | S | S | * | * | trans | -100.8 | 102.7 | 169.7 | -79.7 | -25.5 | 0 | 0 | 0 | 113.2 | ||||
| 2120 | P | 30.8 | Very low | 39.9 | Very low | 109.2 Ų | 109.2 | 107.3 Ų | 107.3 | 71% | 0.709 | 61% | 0.606 | S | S | * | * | trans | -68 | 138.9 | 157.9 | 29.9 | -31.1 | 0 | 0 | 0 | 109.1 | L2118 N2122 | L2118-P2120 WeakPolarHBondContact O-CD 3.42Å; P2120-N2122 PolarHBondContact O-N 2.94Å | ||
| 2121 | P | 29.4 | Very low | 38 | Very low | 115 Ų | 115 | 112 Ų | 112 | 75% | 0.747 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -69.2 | 133.8 | 178.1 | 28.8 | -32.4 | 0 | 0 | 0 | 110.1 | S2123 | P2121-S2123 PolarHBondContact O-N 3.14Š|
| 2122 | N | 27.8 | Very low | 36.2 | Very low | 159.2 Ų | 159.2 | 115 Ų | 115 | 85% | 0.851 | 66% | 0.657 | S | S | * | * | trans | -18.1 | 101 | 170 | -65.6 | -25.2 | 0 | 0 | 0 | 113.2 | P2120 S2124 | P2120-N2122 PolarHBondContact O-N 2.94Å; N2122-S2124 VanDerWaalsContact C-N 3.27Å; N2122-S2124 PolarHBondContact O-N 3.42Å | ||
| 2123 | S | 30 | Very low | 34.4 | Very low | 118.8 Ų | 118.8 | 118.5 Ų | 118.5 | 83% | 0.831 | 68% | 0.681 | S | S | * | * | trans | -113 | 88.8 | 155.9 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | P2121 G2125 | P2121-S2123 PolarHBondContact O-N 3.14Å; S2123-G2125 PolarHBondContact O-N 2.98Å | ||
| 2124 | S | 28 | Very low | 32.8 | Very low | 124.6 Ų | 124.6 | 124.3 Ų | 124.3 | 87% | 0.871 | 72% | 0.717 | S | S | * | * | trans | -97.5 | 93.7 | 168.9 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | N2122 | N2122-S2124 VanDerWaalsContact C-N 3.27Å; N2122-S2124 PolarHBondContact O-N 3.42Å | ||
| 2125 | G | 29.5 | Very low | 31.3 | Very low | 58 Ų | 58 | 124.2 Ų | 124.2 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | trans | -158.3 | 135.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | S2123 I2127 | S2123-G2125 PolarHBondContact O-N 2.98Å; G2125-I2127 PolarHBondContact O-N 3.23Å | ||
| 2126 | P | 32.2 | Very low | 30 | Very low | 133.4 Ų | 133.4 | 122.2 Ų | 122.2 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.5 | -174.4 | 29.9 | -32.3 | 0 | 0 | 0 | 110.8 | P2128 | P2126-P2128 WeakPolarHBondContact O-CD 3.4Š|
| 2127 | I | 30.1 | Very low | 29.1 | Very low | 157.6 Ų | 157.6 | 127.4 Ų | 127.4 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 126.7 | 171.2 | -59.9 | 163.7 | 0 | 0 | 0 | 108.3 | G2125 | G2125-I2127 PolarHBondContact O-N 3.23Š|
| 2128 | P | 32.8 | Very low | 28.4 | Very low | 107.8 Ų | 107.8 | 129.7 Ų | 129.7 | 70% | 0.7 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 140.4 | 157.8 | 28.7 | -21.9 | 0 | 0 | 0 | 110.9 | P2126 V2130 | P2126-P2128 WeakPolarHBondContact O-CD 3.4Å; P2128-V2130 HydrophobicContact CG-CG2 4.45Å; P2128-V2130 PolarHBondContact O-N 3.08Å; P2128-V2130 VanDerWaalsContact O-N 3.17Å |
| 2129 | E | 24.9 | Very low | 28.4 | Very low | 188 Ų | 188 | 128.9 Ų | 128.9 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -76 | 113.8 | 166.3 | -71.2 | 175.1 | 149 | 0 | 0 | 111.2 | S2131 | E2129-S2131 PolarHBondContact O-N 3.27Š| ||
| 2130 | V | 28.4 | Very low | 28.4 | Very low | 128.2 Ų | 128.2 | 127.8 Ų | 127.8 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -115.4 | 116.4 | 161.8 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | P2128 N2132 | P2128-V2130 HydrophobicContact CG-CG2 4.45Å; P2128-V2130 PolarHBondContact O-N 3.08Å; P2128-V2130 VanDerWaalsContact O-N 3.17Å; V2130-N2132 PolarHBondContact O-N 2.92Å | ||
| 2131 | S | 24.3 | Very low | 28.4 | Very low | 99.6 Ų | 99.6 | 131.5 Ų | 131.5 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -73.8 | 128.6 | 170.2 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | E2129 T2133 | E2129-S2131 PolarHBondContact O-N 3.27Å; S2131-T2133 VanDerWaalsContact C-N 3.34Å; S2131-T2133 PolarHBondContact O-N 3.25Å; S2131-T2133 PolarHBondContact O-OG1 3.09Å | ||
| 2132 | N | 24.2 | Very low | 28.4 | Very low | 151.2 Ų | 151.2 | 131.4 Ų | 131.4 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | -94.2 | 111.8 | 156.7 | -76.3 | -25.5 | 0 | 0 | 0 | 112.6 | V2130 V2134 | V2130-N2132 PolarHBondContact O-N 2.92Å; N2132-V2134 PolarHBondContact O-N 2.91Å | ||
| 2133 | T | 25.8 | Very low | 28.3 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -150.4 | 104.7 | 151.6 | 45.8 | 0 | 0 | 0 | 0 | 112.1 | S2131 P2135 | S2131-T2133 VanDerWaalsContact C-N 3.34Å; S2131-T2133 PolarHBondContact O-N 3.25Å; S2131-T2133 PolarHBondContact O-OG1 3.09Å; T2133-P2135 WeakPolarHBondContact O-CD 3.37Å | ||
| 2134 | V | 27.3 | Very low | 28.3 | Very low | 133.6 Ų | 133.6 | 129.4 Ų | 129.4 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -68.8 | 127.7 | 164.4 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | N2132 A2136 | N2132-V2134 PolarHBondContact O-N 2.91Å; V2134-A2136 PolarHBondContact O-N 3.08Å; V2134-A2136 VanDerWaalsContact O-N 3.13Å | ||
| 2135 | P | 26.6 | Very low | 28.2 | Very low | 110.8 Ų | 110.8 | 130.7 Ų | 130.7 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | -79.5 | 112.1 | -178.7 | 6.8 | 2.8 | 0 | 0 | 0 | 110.6 | T2133 F2137 | T2133-P2135 WeakPolarHBondContact O-CD 3.37Å; P2135-F2137 VanDerWaalsContact C-N 3.27Å; P2135-F2137 HydrophobicContact CB-CE2 4.45Å; P2135-F2137 PolarHBondContact O-N 3.06Å | ||
| 2136 | A | 26.3 | Very low | 28.1 | Very low | 89.8 Ų | 89.8 | 134 Ų | 134 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -58.8 | 122 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | V2134 D2138 | V2134-A2136 PolarHBondContact O-N 3.08Å; V2134-A2136 VanDerWaalsContact O-N 3.13Å; A2136-D2138 PolarHBondContact O-N 3.05Å; A2136-D2138 VanDerWaalsContact O-N 3.12Å | ||
| 2137 | F | 28.8 | Very low | 27.9 | Very low | 197.6 Ų | 197.6 | 135.8 Ų | 135.8 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -66.7 | 107.7 | 165.9 | -83 | -90.7 | 0 | 0 | 0 | 109 | P2135 P2139 | P2135-F2137 VanDerWaalsContact C-N 3.27Å; P2135-F2137 HydrophobicContact CB-CE2 4.45Å; P2135-F2137 PolarHBondContact O-N 3.06Å; F2137-P2139 VanDerWaalsContact C-CD 3.47Å; F2137-P2139 WeakPolarHBondContact O-CD 3.38Å | ||
| 2138 | D | 27.4 | Very low | 27.7 | Very low | 135.4 Ų | 135.4 | 135.4 Ų | 135.4 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | -83.9 | 121.5 | 171.3 | -137.8 | -4.9 | 0 | 0 | 0 | 109.5 | A2136 L2140 | A2136-D2138 PolarHBondContact O-N 3.05Å; A2136-D2138 VanDerWaalsContact O-N 3.12Å; D2138-L2140 PolarHBondContact O-N 3.06Å | ||
| 2139 | P | 33.4 | Very low | 27.5 | Very low | 108.6 Ų | 108.6 | 136.3 Ų | 136.3 | 71% | 0.705 | 78% | 0.775 | S | S | * | * | trans | -80.2 | 88 | -176 | 25.3 | -21.8 | 0 | 0 | 0 | 111.6 | F2137 | F2137-P2139 VanDerWaalsContact C-CD 3.47Å; F2137-P2139 WeakPolarHBondContact O-CD 3.38Å | ||
| 2140 | L | 29.3 | Very low | 27.6 | Very low | 128.8 Ų | 128.8 | 133.6 Ų | 133.6 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | trans | -148.1 | 70.8 | 172.7 | -71.6 | 169.4 | 0 | 0 | 0 | 114 | D2138 | D2138-L2140 PolarHBondContact O-N 3.06Š| ||
| 2141 | F | 30.5 | Very low | 27.6 | Very low | 186.4 Ų | 186.4 | 135.6 Ų | 135.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -162.8 | 98.2 | 163 | -70.8 | -73.3 | 0 | 0 | 0 | 114.3 | S2143 | F2141-S2143 PolarHBondContact O-N 3.06Å; F2141-S2143 VanDerWaalsContact O-N 3.1Å | ||
| 2142 | P | 28.3 | Very low | 27.7 | Very low | 113.8 Ų | 113.8 | 136.3 Ų | 136.3 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | -83.4 | 141.8 | 178 | 31.2 | -27.4 | 0 | 0 | 0 | 110.6 | P2144 | P2142-P2144 WeakPolarHBondContact O-CD 3.34Š| ||
| 2143 | S | 26.4 | Very low | 27.7 | Very low | 111.2 Ų | 111.2 | 134.1 Ų | 134.1 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -41.5 | 133.1 | 174.2 | -56.1 | 0 | 0 | 0 | 0 | 113.2 | F2141 L2145 | F2141-S2143 PolarHBondContact O-N 3.06Å; F2141-S2143 VanDerWaalsContact O-N 3.1Å; S2143-L2145 PolarHBondContact O-N 3.15Å | ||
| 2144 | P | 29.3 | Very low | 27.8 | Very low | 124.6 Ų | 124.6 | 135.1 Ų | 135.1 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | trans | -89.3 | 103.3 | 171.5 | 32.6 | -27.1 | 0 | 0 | 0 | 111.2 | P2142 | P2142-P2144 WeakPolarHBondContact O-CD 3.34Š| ||
| 2145 | L | 26 | Very low | 27.7 | Very low | 151.8 Ų | 151.8 | 134.6 Ų | 134.6 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | trans | -117 | 98.5 | 164.7 | -75.3 | 170.9 | 0 | 0 | 0 | 112.8 | S2143 E2147 | S2143-L2145 PolarHBondContact O-N 3.15Å; L2145-E2147 VanDerWaalsContact C-N 3.32Å; L2145-E2147 PolarHBondContact O-N 2.68Å | ||
| 2146 | T | 27.9 | Very low | 27.8 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -69.3 | 113.2 | 144.3 | 44.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2147 | E | 27 | Very low | 27.8 | Very low | 171.8 Ų | 171.8 | 138.9 Ų | 138.9 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | trans | -135.8 | 115.4 | 150.1 | -83.6 | 175.1 | 170.2 | 0 | 0 | 110.8 | L2145 V2149 | L2145-E2147 VanDerWaalsContact C-N 3.32Å; L2145-E2147 PolarHBondContact O-N 2.68Å; E2147-V2149 PolarHBondContact O-N 2.9Å | ||
| 2148 | N | 27.3 | Very low | 27.6 | Very low | 149.6 Ų | 149.6 | 138.7 Ų | 138.7 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 54.5 | 119 | 136.1 | -62.1 | -23.3 | 0 | 0 | 0 | 117.4 | D2150 | N2148-D2150 PolarHBondContact O-N 3.28Š| ||
| 2149 | V | 28.3 | Very low | 27.6 | Very low | 126.8 Ų | 126.8 | 138.5 Ų | 138.5 | 77% | 0.768 | 77% | 0.771 | S | S | * | * | trans | -179.7 | 109.2 | 157.8 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | E2147 | E2147-V2149 PolarHBondContact O-N 2.9Š| ||
| 2150 | D | 26.7 | Very low | 27.2 | Very low | 130.4 Ų | 130.4 | 138 Ų | 138 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | trans | 46.3 | 117.9 | 152.4 | -68.8 | -24.4 | 0 | 0 | 0 | 118.4 | N2148 | N2148-D2150 PolarHBondContact O-N 3.28Š| ||
| 2151 | H | 28.4 | Very low | 27.2 | Very low | 170.8 Ų | 170.8 | 139.7 Ų | 139.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 72.8 | 99.9 | 141.9 | -62.9 | 1.4 | 0 | 0 | 0 | 119.5 | ||||
| 2152 | C | 25.7 | Very low | 27.1 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 132.1 | 110.7 | 133.2 | -77.4 | 0 | 0 | 0 | 0 | 115.2 | K2211 | C2152-K2211 PolarHBondContact O-NZ 2.82Š| ||
| 2153 | S | 25 | Very low | 27 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | 77.3 | 123 | 125.2 | -57.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 2154 | N | 27.6 | Very low | 27.3 | Very low | 149.8 Ų | 149.8 | 139.4 Ų | 139.4 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | 165.8 | 99.1 | 153.9 | -77.2 | -18.5 | 0 | 0 | 0 | 112.2 | I2156 | N2154-I2156 PolarHBondContact O-N 3.25Š| ||
| 2155 | T | 26.5 | Very low | 27.3 | Very low | 122.2 Ų | 122.2 | 138.7 Ų | 138.7 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | -15.8 | 127 | 129 | 48.7 | 0 | 0 | 0 | 0 | 113 | N2157 | T2155-N2157 PolarHBondContact O-N 3.3Š| |||
| 2156 | I | 28 | Very low | 27.6 | Very low | 157.4 Ų | 157.4 | 137.6 Ų | 137.6 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -140.8 | 123.4 | 137.4 | -80.9 | 164.2 | 0 | 0 | 0 | 109.7 | N2154 F2158 | N2154-I2156 PolarHBondContact O-N 3.25Å; I2156-F2158 PolarHBondContact O-N 2.94Å | ||
| 2157 | N | 26.3 | Very low | 27.6 | Very low | 134.6 Ų | 134.6 | 137.9 Ų | 137.9 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -43.4 | 142.2 | 169.4 | -67.8 | -19.6 | 0 | 0 | 0 | 115.9 | T2155 V2159 | T2155-N2157 PolarHBondContact O-N 3.3Å; N2157-V2159 PolarHBondContact O-N 2.64Å | ||
| 2158 | F | 24.4 | Very low | 27.7 | Very low | 193.4 Ų | 193.4 | 136.6 Ų | 136.6 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -170.4 | 134.3 | 134.7 | -99.4 | -84.9 | 0 | 0 | 0 | 112 | I2156 S2160 | I2156-F2158 PolarHBondContact O-N 2.94Å; F2158-S2160 PolarHBondContact O-N 3.04Å | ||
| 2159 | V | 27.9 | Very low | 27.8 | Very low | 131.4 Ų | 131.4 | 135.5 Ų | 135.5 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -109.8 | 116.9 | 154 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | N2157 | N2157-V2159 PolarHBondContact O-N 2.64Š| ||
| 2160 | S | 25.3 | Very low | 27.8 | Very low | 97.4 Ų | 97.4 | 134.1 Ų | 134.1 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -91.2 | 136.6 | 137.5 | 176.5 | 0 | 0 | 0 | 0 | 112.4 | F2158 | F2158-S2160 PolarHBondContact O-N 3.04Š| ||
| 2161 | M | 28.3 | Very low | 27.8 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -136.5 | 129.3 | 158.1 | -80.1 | -62.5 | -166.3 | 0 | 0 | 111.3 | N2163 | M2161-N2163 PolarHBondContact O-N 3.21Š| ||
| 2162 | N | 28 | Very low | 27.9 | Very low | 142.8 Ų | 142.8 | 132.8 Ų | 132.8 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -1.6 | 124.9 | 160.1 | -68 | -20.1 | 0 | 0 | 0 | 113.2 | ||||
| 2163 | N | 27.2 | Very low | 28 | Very low | 155.4 Ų | 155.4 | 136.1 Ų | 136.1 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | -139.2 | 148.5 | 121.9 | -123.9 | 7.2 | 0 | 0 | 0 | 110.6 | M2161 | M2161-N2163 PolarHBondContact O-N 3.21Š| |||
| 2164 | P | 33.2 | Very low | 28.4 | Very low | 106.8 Ų | 106.8 | 137 Ų | 137 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | -120.2 | 172.5 | -145.6 | 36.3 | -22.6 | 0 | 0 | 0 | 115.3 | ||||
| 2165 | S | 29.2 | Very low | 28.3 | Very low | 110.2 Ų | 110.2 | 134.6 Ų | 134.6 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | trans | 83.6 | 136.8 | 161.7 | 61.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2166 | V | 31.9 | Very low | 28.4 | Very low | 129.8 Ų | 129.8 | 135.3 Ų | 135.3 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | cis | -148.1 | 142 | 44.1 | 161.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2167 | D | 27 | Very low | 28.3 | Very low | 131.4 Ų | 131.4 | 134.3 Ų | 134.3 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -37.6 | 147.8 | 176.1 | -54.7 | -50.1 | 0 | 0 | 0 | 120.4 | ||||
| 2168 | N | 28.7 | Very low | 28.4 | Very low | 143.8 Ų | 143.8 | 135.6 Ų | 135.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | 105 | 114.2 | 126 | -81.3 | -32.9 | 0 | 0 | 0 | 120.7 | |||||
| 2169 | V | 29.6 | Very low | 28.5 | Very low | 126.6 Ų | 126.6 | 132.3 Ų | 132.3 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | 101 | 126.7 | 124.1 | 174 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 2170 | S | 29.4 | Very low | 28.5 | Very low | 97.4 Ų | 97.4 | 131.6 Ų | 131.6 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | trans | 120.9 | 140.1 | 147.7 | 61.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2171 | N | 26.9 | Very low | 28.7 | Very low | 156.6 Ų | 156.6 | 130.4 Ų | 130.4 | 84% | 0.837 | 78% | 0.776 | S | S | * | * | trans | 148.9 | 131.7 | 154.9 | -59.2 | -20.9 | 0 | 0 | 0 | 114.3 | ||||
| 2172 | S | 30.3 | Very low | 28.7 | Very low | 117.6 Ų | 117.6 | 130.2 Ų | 130.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | -178.9 | 137.2 | 110.8 | 45.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 2173 | E | 27.2 | Very low | 28.8 | Very low | 184.4 Ų | 184.4 | 127.9 Ų | 127.9 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -86.6 | 163.5 | 168.2 | -72.4 | 177.3 | 141.2 | 0 | 0 | 113.6 | S2175 | E2173-S2175 VanDerWaalsContact C-N 3.3Å; E2173-S2175 PolarHBondContact O-N 3.43Å | ||
| 2174 | P | 32.6 | Very low | 28.9 | Very low | 123.6 Ų | 123.6 | 127.5 Ų | 127.5 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | trans | -115.1 | 146 | -174.2 | 37.9 | -29.2 | 0 | 0 | 0 | 114.1 | ||||
| 2175 | S | 26.5 | Very low | 28.7 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -79.9 | 143.3 | 175.4 | 53.2 | 0 | 0 | 0 | 0 | 114.8 | E2173 I2177 | E2173-S2175 VanDerWaalsContact C-N 3.3Å; E2173-S2175 PolarHBondContact O-N 3.43Å; S2175-I2177 PolarHBondContact O-N 3.14Å; S2175-I2177 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 2176 | V | 28 | Very low | 28.7 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -96.4 | 122.5 | 171.2 | 178.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 2177 | I | 27.2 | Very low | 28.6 | Very low | 136.4 Ų | 136.4 | 131.2 Ų | 131.2 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -110.2 | 126.3 | 168.3 | -63.6 | 173.5 | 0 | 0 | 0 | 110.3 | S2175 T2179 | S2175-I2177 PolarHBondContact O-N 3.14Å; S2175-I2177 WeakPolarHBondContact OG-CD1 3.48Å; I2177-T2179 HydrophobicContact CG2-CG2 3.72Å; I2177-T2179 VanDerWaalsContact CG2-CG2 3.43Å; I2177-T2179 PolarHBondContact O-N 3.01Å | ||
| 2178 | L | 27.1 | Very low | 28.6 | Very low | 160.8 Ų | 160.8 | 132.9 Ų | 132.9 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -76.1 | 117.6 | 163.4 | -66.9 | 169.6 | 0 | 0 | 0 | 112.3 | S2180 | L2178-S2180 PolarHBondContact O-N 3.09Š| ||
| 2179 | T | 27.5 | Very low | 28.5 | Very low | 125.8 Ų | 125.8 | 132.1 Ų | 132.1 | 77% | 0.772 | 78% | 0.776 | S | S | * | * | trans | -116.3 | 135 | 145.4 | 29 | 0 | 0 | 0 | 0 | 110.7 | I2177 G2181 | I2177-T2179 HydrophobicContact CG2-CG2 3.72Å; I2177-T2179 VanDerWaalsContact CG2-CG2 3.43Å; I2177-T2179 PolarHBondContact O-N 3.01Å; T2179-G2181 PolarHBondContact O-N 3.41Å | ||
| 2180 | S | 27.3 | Very low | 28.4 | Very low | 115.4 Ų | 115.4 | 132.8 Ų | 132.8 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -84.5 | 124.5 | 160.8 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | L2178 | L2178-S2180 PolarHBondContact O-N 3.09Š| ||
| 2181 | G | 29.7 | Very low | 28.2 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -117.1 | 115.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T2179 | T2179-G2181 PolarHBondContact O-N 3.41Š| ||
| 2182 | I | 27.6 | Very low | 28.1 | Very low | 159.2 Ų | 159.2 | 138.3 Ų | 138.3 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -53.6 | 122 | 149 | -63.1 | 163.9 | 0 | 0 | 0 | 111 | ||||
| 2183 | A | 31.1 | Very low | 27.8 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -160.6 | 115.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 2184 | D | 28.7 | Very low | 27.8 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -56.8 | 135.3 | 162.6 | -63.6 | -57.6 | 0 | 0 | 0 | 112.3 | ||||
| 2185 | D | 30.2 | Very low | 27.5 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | 177 | 133.8 | 101.2 | -130.8 | -4 | 0 | 0 | 0 | 113.2 | |||||
| 2186 | K | 29.3 | Very low | 27.5 | Very low | 172.2 Ų | 172.2 | 137.3 Ų | 137.3 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 60 | 120 | 148.9 | -79.6 | 173.9 | -172.3 | 136.7 | 0 | 123.4 | E2188 | K2186-E2188 PolarHBondContact O-N 3.37Š| ||
| 2187 | V | 29.4 | Very low | 27.6 | Very low | 120.6 Ų | 120.6 | 137 Ų | 137 | 73% | 0.731 | 78% | 0.784 | S | S | * | * | trans | 79.9 | 105.2 | 130.1 | 178.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 2188 | E | 26.7 | Very low | 27.6 | Very low | 168.4 Ų | 168.4 | 134.5 Ų | 134.5 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | trans | 91.3 | 108.4 | 138.7 | -80.7 | 171.6 | -174.8 | 0 | 0 | 120.3 | K2186 T2190 | K2186-E2188 PolarHBondContact O-N 3.37Å; E2188-T2190 PolarHBondContact O-N 3.34Å; E2188-T2190 VanDerWaalsContact O-N 3.15Å | ||
| 2189 | T | 26.1 | Very low | 27.7 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | 37.7 | 116.6 | 142.3 | 56.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 2190 | T | 27.5 | Very low | 28.1 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -165 | 131.5 | 140.1 | 33.2 | 0 | 0 | 0 | 0 | 112.4 | E2188 M2192 | E2188-T2190 PolarHBondContact O-N 3.34Å; E2188-T2190 VanDerWaalsContact O-N 3.15Å; T2190-M2192 PolarHBondContact O-N 3.24Å | ||
| 2191 | E | 24.8 | Very low | 28.3 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -83.3 | 143 | -178.3 | -63.6 | 178.3 | 143.2 | 0 | 0 | 113 | S2193 | E2191-S2193 PolarHBondContact O-N 3.34Å; E2191-S2193 VanDerWaalsContact O-N 3.11Å | ||
| 2192 | M | 24.7 | Very low | 28.6 | Very low | 178.4 Ų | 178.4 | 128.9 Ų | 128.9 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | trans | -94.6 | 116.9 | 163.2 | -91.2 | 160.5 | 58.2 | 0 | 0 | 113 | T2190 V2194 | T2190-M2192 PolarHBondContact O-N 3.24Å; M2192-V2194 PolarHBondContact O-N 3.09Å; M2192-V2194 VanDerWaalsContact O-N 3.13Å | ||
| 2193 | S | 24.4 | Very low | 28.8 | Very low | 106.2 Ų | 106.2 | 126.9 Ų | 126.9 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | -85 | 120.9 | 168 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | E2191 H2195 | E2191-S2193 PolarHBondContact O-N 3.34Å; E2191-S2193 VanDerWaalsContact O-N 3.11Å; S2193-H2195 VanDerWaalsContact C-N 3.32Å; S2193-H2195 PolarHBondContact O-N 2.93Å; S2193-H2195 VanDerWaalsContact O-N 3.07Å | ||
| 2194 | V | 27.3 | Very low | 28.9 | Very low | 125.2 Ų | 125.2 | 128 Ų | 128 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | -101.4 | 101.7 | 167.6 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | M2192 S2196 | M2192-V2194 PolarHBondContact O-N 3.09Å; M2192-V2194 VanDerWaalsContact O-N 3.13Å; V2194-S2196 PolarHBondContact O-N 2.81Å | ||
| 2195 | H | 26.7 | Very low | 29 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 83% | 0.833 | 70% | 0.696 | S | S | * | * | trans | -48 | 110.1 | 161.7 | -68.2 | -62 | 0 | 0 | 0 | 114.8 | S2193 | S2193-H2195 VanDerWaalsContact C-N 3.32Å; S2193-H2195 PolarHBondContact O-N 2.93Å; S2193-H2195 VanDerWaalsContact O-N 3.07Å | ||
| 2196 | S | 26.4 | Very low | 29.1 | Very low | 93.8 Ų | 93.8 | 128.9 Ų | 128.9 | 66% | 0.656 | 70% | 0.698 | S | S | * | * | trans | -129.7 | 123.2 | 153.3 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | V2194 S2198 | V2194-S2196 PolarHBondContact O-N 2.81Å; S2196-S2198 VanDerWaalsContact C-N 3.28Å; S2196-S2198 PolarHBondContact O-N 3.34Å; S2196-S2198 PolarHBondContact O-OG 2.96Å; S2196-S2198 PolarHBondContact OG-OG 3.49Å | ||
| 2197 | P | 30.4 | Very low | 29.4 | Very low | 130.8 Ų | 130.8 | 125.4 Ų | 125.4 | 85% | 0.849 | 69% | 0.691 | S | S | * | * | trans | -85 | 84.4 | 177.2 | 32.3 | -30.4 | 0 | 0 | 0 | 110.3 | S2199 | P2197-S2199 PolarHBondContact O-N 3.19Š| ||
| 2198 | S | 26.5 | Very low | 29.4 | Very low | 84.6 Ų | 84.6 | 127.3 Ų | 127.3 | 59% | 0.592 | 69% | 0.689 | S | S | * | * | trans | -119.3 | 75.6 | -179.1 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | S2196 V2201 | S2196-S2198 VanDerWaalsContact C-N 3.28Å; S2196-S2198 PolarHBondContact O-N 3.34Å; S2196-S2198 PolarHBondContact O-OG 2.96Å; S2196-S2198 PolarHBondContact OG-OG 3.49Å; S2198-V2201 VanDerWaalsContact OG-CG2 3.32Å; S2198-V2201 WeakPolarHBondContact OG-CG2 3.37Å | ||
| 2199 | S | 30.6 | Very low | 29.6 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 53% | 0.531 | 69% | 0.689 | S | S | . | * | trans | -122.9 | -12.6 | 172.1 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | P2197 V2201 I2202 | P2197-S2199 PolarHBondContact O-N 3.19Å; S2199-V2201 VanDerWaalsContact C-N 3.32Å; S2199-V2201 PolarHBondContact O-N 3.29Å; S2199-I2202 WeakPolarHBondContact O-CD1 3.13Å; S2199-I2202 WeakPolarHBondContact O-CG1 3.36Å; S2199-I2202 PolarHBondContact O-N 3.11Å | ||
| 2200 | T | 33.9 | Very low | 29.8 | Very low | 114.8 Ų | 114.8 | 124.3 Ų | 124.3 | 70% | 0.704 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 1 | 176.9 | -23 | 0 | 0 | 0 | 0 | 113.2 | I2202 F2203 | T2200-I2202 VanDerWaalsContact C-N 3.27Å; T2200-I2202 PolarHBondContact O-N 3.11Å; T2200-F2203 PolarHBondContact O-N 3.37Å |
| 2201 | V | 33 | Very low | 30 | Very low | 61.25 Ų | 61.25 | 126.1 Ų | 126.1 | 37% | 0.371 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -75.8 | -12.5 | -178.7 | 176.9 | 0 | 0 | 0 | 0 | 112.8 | S2198 S2199 F2203 L2204 N2205 | S2198-V2201 VanDerWaalsContact OG-CG2 3.32Å; S2198-V2201 WeakPolarHBondContact OG-CG2 3.37Å; S2199-V2201 VanDerWaalsContact C-N 3.32Å; S2199-V2201 PolarHBondContact O-N 3.29Å; V2201-F2203 VanDerWaalsContact C-N 3.27Å; V2201-F2203 PolarHBondContact O-N 3.27Å; V2201-F2203 VanDerWaalsContact O-N 3.1Å; V2201-L2204 PolarHBondContact O-N 3.08Å; V2201-L2204 VanDerWaalsContact O-N 3.17Å; V2201-N2205 HydrophobicContact CG1-CB 3.83Å; V2201-N2205 VanDerWaalsContact CG1-CG 3.45Å; V2201-N2205 VanDerWaalsContact CG1-ND2 3.33Å; V2201-N2205 WeakPolarHBondContact CG1-ND2 3.35Å; V2201-N2205 PolarHBondContact O-N 3.17Å; V2201-N2205 VanDerWaalsContact O-N 3.14Å |
| 2202 | I | 34.8 | Very low | 30.3 | Very low | 104.25 Ų | 104.25 | 124.5 Ų | 124.5 | 54% | 0.535 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -63.4 | -27 | -176 | -63.9 | 176.2 | 0 | 0 | 0 | 112.8 | S2199 T2200 | S2199-I2202 WeakPolarHBondContact O-CD1 3.13Å; S2199-I2202 WeakPolarHBondContact O-CG1 3.36Å; S2199-I2202 PolarHBondContact O-N 3.11Å; T2200-I2202 VanDerWaalsContact C-N 3.27Å; T2200-I2202 PolarHBondContact O-N 3.11Å |
| 2203 | F | 32.1 | Very low | 30.6 | Very low | 116.5 Ų | 116.5 | 121 Ų | 121 | 51% | 0.511 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -88.9 | -29.7 | 177 | -80.9 | -79.4 | 0 | 0 | 0 | 114.7 | Y2114 K2117 T2200 V2201 P2222 | Y2114-F2203 AromaticContact CE2-CE2 3.67Å; Y2114-F2203 HydrophobicContact CE2-CE2 4.06Å; Y2114-F2203 AromaticContact CE2-CZ 3.64Å; Y2114-F2203 HydrophobicContact CE2-CZ 3.64Å; Y2114-F2203 AromaticContact CZ-CE2 3.73Å; Y2114-F2203 AromaticContact CZ-CZ 3.56Å; Y2114-F2203 WeakPolarHBondContact OH-CE2 3.39Å; Y2114-F2203 WeakPolarHBondContact OH-CZ 3.43Å; K2117-F2203 HydrophobicContact CD-CE2 4.41Å; K2117-F2203 HydrophobicContact CD-CZ 4.28Å; T2200-F2203 PolarHBondContact O-N 3.37Å; V2201-F2203 VanDerWaalsContact C-N 3.27Å; V2201-F2203 PolarHBondContact O-N 3.27Å; V2201-F2203 VanDerWaalsContact O-N 3.1Å; F2203-P2222 HydrophobicContact CD1-CB 4.26Å |
| 2204 | L | 33.2 | Very low | 30.7 | Very low | 118.25 Ų | 118.25 | 123.5 Ų | 123.5 | 62% | 0.619 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -29.9 | -177 | -78.5 | 158.5 | 0 | 0 | 0 | 113.6 | V2201 R2206 V2207 | V2201-L2204 PolarHBondContact O-N 3.08Å; V2201-L2204 VanDerWaalsContact O-N 3.17Å; L2204-R2206 PolarHBondContact O-N 3.47Å; L2204-V2207 WeakPolarHBondContact O-CB 3.15Å; L2204-V2207 PolarHBondContact O-N 3.14Å; L2204-V2207 VanDerWaalsContact O-N 3.07Å |
| 2205 | N | 31 | Very low | 31 | Very low | 99.5 Ų | 99.5 | 123.5 Ų | 123.5 | 53% | 0.532 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -78.7 | -16.5 | -179.4 | -93.5 | -1.7 | 0 | 0 | 0 | 114.7 | V2201 V2207 K2208 N2209 | V2201-N2205 HydrophobicContact CG1-CB 3.83Å; V2201-N2205 VanDerWaalsContact CG1-CG 3.45Å; V2201-N2205 VanDerWaalsContact CG1-ND2 3.33Å; V2201-N2205 WeakPolarHBondContact CG1-ND2 3.35Å; V2201-N2205 PolarHBondContact O-N 3.17Å; V2201-N2205 VanDerWaalsContact O-N 3.14Å; N2205-V2207 VanDerWaalsContact C-N 3.27Å; N2205-V2207 PolarHBondContact O-N 3.34Å; N2205-V2207 VanDerWaalsContact O-N 3.12Å; N2205-K2208 PolarHBondContact O-N 3.17Å; N2205-N2209 PolarHBondContact O-N 3.42Å |
| 2206 | R | 31.5 | Very low | 31.1 | Very low | 197.25 Ų | 197.25 | 123.9 Ų | 123.9 | 74% | 0.744 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -67.7 | -16.7 | 174.4 | -92.2 | -176 | 175.4 | 160.4 | -0.1 | 113.7 | L2204 K2208 | L2204-R2206 PolarHBondContact O-N 3.47Å; R2206-K2208 VanDerWaalsContact C-N 3.3Å; R2206-K2208 PolarHBondContact O-N 3.01Å |
| 2207 | V | 36 | Very low | 31.2 | Very low | 100.5 Ų | 100.5 | 125.6 Ų | 125.6 | 61% | 0.609 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -73 | -19.6 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | L2204 N2205 S2210 P2222 | L2204-V2207 WeakPolarHBondContact O-CB 3.15Å; L2204-V2207 PolarHBondContact O-N 3.14Å; L2204-V2207 VanDerWaalsContact O-N 3.07Å; N2205-V2207 VanDerWaalsContact C-N 3.27Å; N2205-V2207 PolarHBondContact O-N 3.34Å; N2205-V2207 VanDerWaalsContact O-N 3.12Å; V2207-S2210 PolarHBondContact O-OG 3.09Å; V2207-P2222 HydrophobicContact CG2-CG 3.86Å |
| 2208 | K | 30.5 | Very low | 31.2 | Very low | 159 Ų | 159 | 126.3 Ų | 126.3 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -91.5 | -20.7 | -177.8 | -81.7 | -177.4 | 175.8 | 175.9 | 0 | 115.8 | N2205 R2206 | N2205-K2208 PolarHBondContact O-N 3.17Å; R2206-K2208 VanDerWaalsContact C-N 3.3Å; R2206-K2208 PolarHBondContact O-N 3.01Å |
| 2209 | N | 29.8 | Very low | 31.7 | Very low | 147.5 Ų | 147.5 | 128.8 Ų | 128.8 | 79% | 0.789 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -105.6 | 6.1 | -173.5 | -76.4 | 6.7 | 0 | 0 | 0 | 115.5 | N2205 K2211 | N2205-N2209 PolarHBondContact O-N 3.42Å; N2209-K2211 VanDerWaalsContact C-N 3.35Å; N2209-K2211 PolarHBondContact O-N 3.14Å |
| 2210 | S | 31.7 | Very low | 32.2 | Very low | 85.75 Ų | 85.75 | 130.9 Ų | 130.9 | 60% | 0.6 | 68% | 0.676 | S | S | * | * | trans | -90.4 | 31.6 | 176.4 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | V2207 N2212 V2213 | V2207-S2210 PolarHBondContact O-OG 3.09Å; S2210-N2212 PolarHBondContact O-N 3.44Å; S2210-N2212 VanDerWaalsContact O-N 3.11Å; S2210-V2213 PolarHBondContact O-N 2.99Å | ||
| 2211 | K | 31.1 | Very low | 32.5 | Very low | 177.25 Ų | 177.25 | 130.3 Ų | 130.3 | 77% | 0.771 | 67% | 0.668 | S | S | * | * | trans | -78.3 | 58.3 | 170.8 | -80.3 | -174.7 | 176.1 | -179.5 | 0 | 111.4 | C2152 N2209 | C2152-K2211 PolarHBondContact O-NZ 2.82Å; N2209-K2211 VanDerWaalsContact C-N 3.35Å; N2209-K2211 PolarHBondContact O-N 3.14Å | ||
| 2212 | N | 29.9 | Very low | 33.2 | Very low | 157.5 Ų | 157.5 | 130.6 Ų | 130.6 | 84% | 0.842 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 168.1 | 34 | -178.8 | -63.1 | -5.1 | 0 | 0 | 0 | 115.9 | S2210 | S2210-N2212 PolarHBondContact O-N 3.44Å; S2210-N2212 VanDerWaalsContact O-N 3.11Å |
| 2213 | V | 31.7 | Very low | 34 | Very low | 105.75 Ų | 105.75 | 132 Ų | 132 | 64% | 0.641 | 68% | 0.676 | S | S | * | * | trans | -131.9 | 109.9 | 158.1 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | S2210 I2215 | S2210-V2213 PolarHBondContact O-N 2.99Å; V2213-I2215 VanDerWaalsContact C-N 3.27Å; V2213-I2215 HydrophobicContact CG1-CB 4.33Å; V2213-I2215 HydrophobicContact CG1-CD1 3.63Å; V2213-I2215 HydrophobicContact CG1-CG1 3.77Å; V2213-I2215 PolarHBondContact O-N 3.14Å; V2213-I2215 VanDerWaalsContact O-N 3.12Å | ||
| 2214 | N | 27.7 | Very low | 35 | Very low | 157.5 Ų | 157.5 | 130.9 Ų | 130.9 | 84% | 0.842 | 68% | 0.675 | S | S | * | * | trans | -79 | 69.8 | -180 | -161.2 | 13.4 | 0 | 0 | 0 | 110.2 | ||||
| 2215 | I | 31.7 | Very low | 36.5 | Very low | 125.5 Ų | 125.5 | 127.6 Ų | 127.6 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | trans | -118.6 | 103.1 | 169.7 | -63.7 | 169.7 | 0 | 0 | 0 | 107.1 | V2213 D2217 | V2213-I2215 VanDerWaalsContact C-N 3.27Å; V2213-I2215 HydrophobicContact CG1-CB 4.33Å; V2213-I2215 HydrophobicContact CG1-CD1 3.63Å; V2213-I2215 HydrophobicContact CG1-CG1 3.77Å; V2213-I2215 PolarHBondContact O-N 3.14Å; V2213-I2215 VanDerWaalsContact O-N 3.12Å; I2215-D2217 HydrophobicContact CG2-CB 4.2Å; I2215-D2217 WeakPolarHBondContact CG2-OD2 3.44Å; I2215-D2217 PolarHBondContact O-N 3.09Å; I2215-D2217 VanDerWaalsContact O-N 3.16Å | ||
| 2216 | K | 29.6 | Very low | 38.2 | Very low | 188.5 Ų | 188.5 | 123.3 Ų | 123.3 | 82% | 0.82 | 63% | 0.634 | S | S | * | * | trans | -72.6 | 94.3 | 166.4 | -72 | 176.6 | 174.3 | 178 | 0 | 108.5 | ||||
| 2217 | D | 29.5 | Very low | 40.2 | Very low | 128.75 Ų | 128.75 | 115.2 Ų | 115.2 | 69% | 0.689 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -161.4 | 121.1 | 161.1 | -74.7 | -32.1 | 0 | 0 | 0 | 111.3 | I2215 V2219 | I2215-D2217 HydrophobicContact CG2-CB 4.2Å; I2215-D2217 WeakPolarHBondContact CG2-OD2 3.44Å; I2215-D2217 PolarHBondContact O-N 3.09Å; I2215-D2217 VanDerWaalsContact O-N 3.16Å; D2217-V2219 PolarHBondContact O-N 3.16Å |
| 2218 | D | 29.4 | Very low | 41.8 | Very low | 147.25 Ų | 147.25 | 112.6 Ų | 112.6 | 79% | 0.787 | 59% | 0.587 | S | S | * | * | trans | -36.3 | 90.3 | 175.8 | -65.4 | -38.8 | 0 | 0 | 0 | 115.3 | K1839 L2220 | K1839-D2218 IonicContact NZ-OD2 3.51Å; K1839-D2218 PolarHBondContact NZ-OD2 2.74Å; D2218-L2220 VanDerWaalsContact C-N 3.27Å; D2218-L2220 PolarHBondContact O-N 3.16Å | ||
| 2219 | V | 36.1 | Very low | 43.7 | Very low | 135.75 Ų | 135.75 | 108.5 Ų | 108.5 | 82% | 0.823 | 57% | 0.571 | S | S | * | * | trans | -94.1 | 110.3 | 165.6 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | D2217 N2221 | D2217-V2219 PolarHBondContact O-N 3.16Å; V2219-N2221 PolarHBondContact O-N 3.02Å | ||
| 2220 | L | 42.1 | Very low | 45.9 | Very low | 119.75 Ų | 119.75 | 101.5 Ų | 101.5 | 63% | 0.627 | 53% | 0.533 | S | S | * | . | trans | -27.8 | 123.5 | 171.7 | -66.4 | 163 | 0 | 0 | 0 | 113.7 | D2218 P2222 | D2218-L2220 VanDerWaalsContact C-N 3.27Å; D2218-L2220 PolarHBondContact O-N 3.16Å; L2220-P2222 WeakPolarHBondContact O-CD 3.43Å; L2220-P2222 VanDerWaalsContact O-N 3.15Å | ||
| 2221 | N | 39.8 | Very low | 48.2 | Very low | 103.25 Ų | 103.25 | 99.4 Ų | 99.4 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | trans | -56.2 | 116 | 173.9 | -125.3 | -0.2 | 0 | 0 | 0 | 110 | V2219 E2223 L2224 | V2219-N2221 PolarHBondContact O-N 3.02Å; N2221-E2223 PolarHBondContact O-N 3.4Å; N2221-E2223 VanDerWaalsContact O-N 3.16Å; N2221-L2224 HydrophobicContact CB-CD1 3.97Å; N2221-L2224 PolarHBondContact O-N 3.34Å; N2221-L2224 VanDerWaalsContact O-N 3.13Å | ||
| 2222 | P | 49 | Very low | 50.3 | Low | 67.25 Ų | 67.25 | 95 Ų | 95 | 44% | 0.437 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -64.5 | -15.6 | -174.3 | 24.3 | -33.4 | 0 | 0 | 0 | 113.7 | F2203 V2207 L2220 L2224 H2225 | F2203-P2222 HydrophobicContact CD1-CB 4.26Å; V2207-P2222 HydrophobicContact CG2-CG 3.86Å; L2220-P2222 WeakPolarHBondContact O-CD 3.43Å; L2220-P2222 VanDerWaalsContact O-N 3.15Å; P2222-L2224 VanDerWaalsContact C-N 3.29Å; P2222-L2224 PolarHBondContact O-N 3.21Å; P2222-H2225 PolarHBondContact O-N 2.88Å |
| 2223 | E | 49.6 | Very low | 52.7 | Low | 134.25 Ų | 134.25 | 89.2 Ų | 89.2 | 63% | 0.627 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -67 | -22.7 | 176.7 | -62 | -177.5 | 161.2 | 0 | 0 | 113.7 | N2221 H2225 | N2221-E2223 PolarHBondContact O-N 3.4Å; N2221-E2223 VanDerWaalsContact O-N 3.16Å; E2223-H2225 VanDerWaalsContact C-N 3.31Å; E2223-H2225 PolarHBondContact O-N 3.33Å |
| 2224 | L | 54.2 | Low | 55.1 | Low | 92.75 Ų | 92.75 | 84.3 Ų | 84.3 | 49% | 0.486 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -88.9 | 10.6 | -179.4 | -82.7 | 100.3 | 0 | 0 | 0 | 113.9 | W1988 N2221 P2222 | W1988-L2224 HydrophobicContact CH2-CB 4.15Å; W1988-L2224 HydrophobicContact CH2-CD2 4.48Å; W1988-L2224 WeakPolarHBondContact CH2-O 3.27Å; W1988-L2224 HydrophobicContact CZ3-CB 3.97Å; W1988-L2224 HydrophobicContact CZ3-CD2 4.03Å; W1988-L2224 HydrophobicContact CZ3-CG 4.31Å; W1988-L2224 WeakPolarHBondContact CZ3-O 3.45Å; N2221-L2224 HydrophobicContact CB-CD1 3.97Å; N2221-L2224 PolarHBondContact O-N 3.34Å; N2221-L2224 VanDerWaalsContact O-N 3.13Å; P2222-L2224 VanDerWaalsContact C-N 3.29Å; P2222-L2224 PolarHBondContact O-N 3.21Å |
| 2225 | H | 64.6 | Low | 57.8 | Low | 48.5 Ų | 48.5 | 76.8 Ų | 76.8 | 23% | 0.225 | 40% | 0.395 | C | S | . | . | trans | -74 | 130.8 | 177.8 | -165 | -89.3 | 0 | 0 | 0 | 111 | L2113 P2222 E2223 Y2227 V2228 Q2229 | L2113-H2225 PolarHBondContact O-CE1 3.25Å; P2222-H2225 PolarHBondContact O-N 2.88Å; E2223-H2225 VanDerWaalsContact C-N 3.31Å; E2223-H2225 PolarHBondContact O-N 3.33Å; H2225-Y2227 VanDerWaalsContact C-N 3.27Å; H2225-Y2227 WeakPolarHBondContact ND1-CB 3.35Å; H2225-Y2227 PolarHBondContact ND1-N 3.29Å; H2225-Y2227 PolarHBondContact O-N 3.12Å; H2225-Y2227 VanDerWaalsContact O-N 3.15Å; H2225-V2228 HydrophobicContact CB-CB 4.31Å; H2225-V2228 HydrophobicContact CB-CG2 4Å; H2225-V2228 WeakPolarHBondContact O-CA 3.38Å; H2225-V2228 WeakPolarHBondContact O-CB 3.4Å; H2225-V2228 PolarHBondContact O-N 3.19Å; H2225-Q2229 PolarHBondContact O-N 2.9Å | ||
| 2226 | P | 67.2 | Low | 60.1 | Low | 9.25 Ų | 9.25 | 75.1 Ų | 75.1 | 6% | 0.06 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.4 | -36.9 | -174.8 | 19.9 | -33 | 0 | 0 | 0 | 113.5 | W1828 G1987 I1990 V2228 Q2229 A2230 | W1828-P2226 HydrophobicContact CH2-CG 4.2Å; W1828-P2226 HydrophobicContact CZ2-CG 4.45Å; W1828-P2226 HydrophobicContact CZ3-CG 4.41Å; G1987-P2226 VanDerWaalsContact O-CB 3.29Å; G1987-P2226 WeakPolarHBondContact O-CB 3.32Å; I1990-P2226 HydrophobicContact CG2-CB 4.23Å; I1990-P2226 VanDerWaalsContact CG2-O 3.3Å; I1990-P2226 WeakPolarHBondContact CG2-O 3.22Å; P2226-V2228 PolarHBondContact O-N 3.49Å; P2226-Q2229 PolarHBondContact O-N 3.1Å; P2226-A2230 WeakPolarHBondContact O-CB 3.4Å; P2226-A2230 PolarHBondContact O-N 3.19Å |
| 2227 | Y | 72 | Confident | 62.6 | Low | 27.75 Ų | 27.75 | 66.2 Ų | 66.2 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.8 | -177.1 | -90.6 | 0 | 0 | 0 | 112.7 | T2056 F2057 A2110 L2113 H2225 Q2229 A2230 Q2231 | T2056-Y2227 PolarHBondContact O-OH 3.14Å; T2056-Y2227 VanDerWaalsContact O-OH 3.14Å; F2057-Y2227 AromaticContact CD1-CD2 3.97Å; F2057-Y2227 HydrophobicContact CD1-CD2 3.99Å; F2057-Y2227 AromaticContact CD1-CE2 3.83Å; F2057-Y2227 HydrophobicContact CD1-CE2 3.83Å; F2057-Y2227 HydrophobicContact CE1-CD2 4.12Å; F2057-Y2227 HydrophobicContact CE1-CE2 4.29Å; F2057-Y2227 PolarHBondContact O-OH 3.4Å; A2110-Y2227 HydrophobicContact CB-CE2 4.47Å; L2113-Y2227 HydrophobicContact CB-CD2 3.97Å; L2113-Y2227 HydrophobicContact CB-CE2 4.47Å; L2113-Y2227 HydrophobicContact CD1-CD2 4.36Å; H2225-Y2227 VanDerWaalsContact C-N 3.27Å; H2225-Y2227 WeakPolarHBondContact ND1-CB 3.35Å; H2225-Y2227 PolarHBondContact ND1-N 3.29Å; H2225-Y2227 PolarHBondContact O-N 3.12Å; H2225-Y2227 VanDerWaalsContact O-N 3.15Å; Y2227-Q2229 VanDerWaalsContact C-N 3.34Å; Y2227-A2230 WeakPolarHBondContact O-CB 3.41Å; Y2227-A2230 PolarHBondContact O-N 3.15Å; Y2227-Q2231 VanDerWaalsContact O-CB 3.28Å; Y2227-Q2231 WeakPolarHBondContact O-CB 3.37Å; Y2227-Q2231 PolarHBondContact O-N 3.15Å |
| 2228 | V | 71 | Confident | 65.3 | Low | 45.25 Ų | 45.25 | 60.3 Ų | 60.3 | 27% | 0.274 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 179 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | H2225 P2226 A2230 Q2231 M2232 | H2225-V2228 HydrophobicContact CB-CB 4.31Å; H2225-V2228 HydrophobicContact CB-CG2 4Å; H2225-V2228 WeakPolarHBondContact O-CA 3.38Å; H2225-V2228 WeakPolarHBondContact O-CB 3.4Å; H2225-V2228 PolarHBondContact O-N 3.19Å; P2226-V2228 PolarHBondContact O-N 3.49Å; V2228-A2230 PolarHBondContact O-N 3.42Å; V2228-Q2231 PolarHBondContact O-N 3.25Å; V2228-M2232 HydrophobicContact CG1-CE 3.77Å; V2228-M2232 HydrophobicContact CG1-CG 4.47Å; V2228-M2232 HydrophobicContact CG1-SD 4.29Å; V2228-M2232 WeakPolarHBondContact O-CB 3.24Å; V2228-M2232 VanDerWaalsContact O-CG 3.28Å; V2228-M2232 WeakPolarHBondContact O-CG 3.36Å; V2228-M2232 PolarHBondContact O-N 3.21Å |
| 2229 | Q | 70.7 | Confident | 68 | Low | 74 Ų | 74 | 53.7 Ų | 53.7 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 175.1 | -171.1 | 176.6 | -1.4 | 0 | 0 | 112.4 | W1988 H2225 P2226 Y2227 Q2231 M2232 E2233 | W1988-Q2229 PolarHBondContact O-OE1 3.07Å; H2225-Q2229 PolarHBondContact O-N 2.9Å; P2226-Q2229 PolarHBondContact O-N 3.1Å; Y2227-Q2229 VanDerWaalsContact C-N 3.34Å; Q2229-Q2231 VanDerWaalsContact C-N 3.34Å; Q2229-M2232 PolarHBondContact O-N 3.07Å; Q2229-E2233 WeakPolarHBondContact O-CG 3.47Å; Q2229-E2233 PolarHBondContact O-N 3.12Å; Q2229-E2233 VanDerWaalsContact O-N 3.1Å |
| 2230 | A | 74.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1990 I1994 F2057 P2226 Y2227 V2228 M2232 E2233 V2234 | I1990-A2230 HydrophobicContact CD1-CB 4.33Å; I1990-A2230 HydrophobicContact CG1-CB 4.14Å; I1990-A2230 HydrophobicContact CG2-CB 3.76Å; I1994-A2230 HydrophobicContact CD1-CB 3.74Å; F2057-A2230 HydrophobicContact CD1-CB 3.65Å; F2057-A2230 HydrophobicContact CE1-CB 3.37Å; F2057-A2230 VanDerWaalsContact CE1-CB 3.42Å; F2057-A2230 HydrophobicContact CE2-CB 4.35Å; F2057-A2230 HydrophobicContact CG-CB 4.27Å; F2057-A2230 HydrophobicContact CZ-CB 3.77Å; P2226-A2230 WeakPolarHBondContact O-CB 3.4Å; P2226-A2230 PolarHBondContact O-N 3.19Å; Y2227-A2230 WeakPolarHBondContact O-CB 3.41Å; Y2227-A2230 PolarHBondContact O-N 3.15Å; V2228-A2230 PolarHBondContact O-N 3.42Å; A2230-M2232 VanDerWaalsContact C-N 3.32Å; A2230-M2232 PolarHBondContact O-N 3.15Å; A2230-E2233 PolarHBondContact O-N 3.09Å; A2230-V2234 WeakPolarHBondContact O-CG2 3.33Å; A2230-V2234 PolarHBondContact O-N 3.16Å |
| 2231 | Q | 80 | Confident | 72.3 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 178.9 | -173.6 | 176.9 | 25.9 | 0 | 0 | 111.2 | F2057 L2058 Y2227 V2228 Q2229 E2233 V2234 L2235 F2426 | F2057-Q2231 WeakPolarHBondContact O-CG 3.28Å; F2057-Q2231 PolarHBondContact O-NE2 3.29Å; L2058-Q2231 HydrophobicContact CD2-CG 4.42Å; Y2227-Q2231 VanDerWaalsContact O-CB 3.28Å; Y2227-Q2231 WeakPolarHBondContact O-CB 3.37Å; Y2227-Q2231 PolarHBondContact O-N 3.15Å; V2228-Q2231 PolarHBondContact O-N 3.25Å; Q2229-Q2231 VanDerWaalsContact C-N 3.34Å; Q2231-E2233 VanDerWaalsContact C-N 3.28Å; Q2231-E2233 PolarHBondContact O-N 3.12Å; Q2231-V2234 PolarHBondContact O-N 3.16Å; Q2231-L2235 HydrophobicContact CG-CD1 4.27Å; Q2231-L2235 WeakPolarHBondContact O-CG 3.35Å; Q2231-L2235 PolarHBondContact O-N 3.35Å; Q2231-F2426 HydrophobicContact CG-CE2 3.77Å; Q2231-F2426 HydrophobicContact CG-CZ 3.73Å |
| 2232 | M | 76.5 | Confident | 74.5 | Confident | 84.5 Ų | 84.5 | 39.9 Ų | 39.9 | 42% | 0.416 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 175.9 | -73.7 | -179.6 | 140 | 0 | 0 | 112.8 | V2228 Q2229 A2230 L2235 R2236 P2429 | V2228-M2232 HydrophobicContact CG1-CE 3.77Å; V2228-M2232 HydrophobicContact CG1-CG 4.47Å; V2228-M2232 HydrophobicContact CG1-SD 4.29Å; V2228-M2232 WeakPolarHBondContact O-CB 3.24Å; V2228-M2232 VanDerWaalsContact O-CG 3.28Å; V2228-M2232 WeakPolarHBondContact O-CG 3.36Å; V2228-M2232 PolarHBondContact O-N 3.21Å; Q2229-M2232 PolarHBondContact O-N 3.07Å; A2230-M2232 VanDerWaalsContact C-N 3.32Å; A2230-M2232 PolarHBondContact O-N 3.15Å; M2232-L2235 PolarHBondContact O-N 3.18Å; M2232-R2236 WeakPolarHBondContact O-CB 3.38Å; M2232-R2236 PolarHBondContact O-N 3.3Å; M2232-R2236 VanDerWaalsContact O-N 3.1Å; M2232-P2429 HydrophobicContact CE-CG 4.12Å |
| 2233 | E | 78.6 | Confident | 76.3 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.4 | -39.2 | 176.9 | -78.4 | -63.5 | 142.8 | 0 | 0 | 112.7 | R1995 Q2229 A2230 Q2231 L2235 R2236 L2237 | R1995-E2233 VanDerWaalsContact CD-OE2 3.25Å; R1995-E2233 WeakPolarHBondContact CD-OE2 3.34Å; R1995-E2233 WeakPolarHBondContact CG-OE2 3.3Å; R1995-E2233 IonicContact CZ-OE1 3.44Å; R1995-E2233 IonicContact CZ-OE2 3.72Å; R1995-E2233 IonicContact NE-OE1 2.8Å; R1995-E2233 IonicContact NE-OE2 3.6Å; R1995-E2233 PolarHBondContact NE-OE2 3.37Å; R1995-E2233 IonicContact NH1-OE2 3.75Å; R1995-E2233 IonicContact NH2-OE1 2.72Å; R1995-E2233 PolarHBondContact NH2-OE1 2.98Å; R1995-E2233 IonicContact NH2-OE2 2.81Å; R1995-E2233 PolarHBondContact NH2-OE2 3.41Å; Q2229-E2233 WeakPolarHBondContact O-CG 3.47Å; Q2229-E2233 PolarHBondContact O-N 3.12Å; Q2229-E2233 VanDerWaalsContact O-N 3.1Å; A2230-E2233 PolarHBondContact O-N 3.09Å; Q2231-E2233 VanDerWaalsContact C-N 3.28Å; Q2231-E2233 PolarHBondContact O-N 3.12Å; E2233-L2235 VanDerWaalsContact C-N 3.31Å; E2233-L2235 PolarHBondContact O-N 3.2Å; E2233-R2236 WeakPolarHBondContact O-CB 3.18Å; E2233-R2236 PolarHBondContact O-N 3.16Å; E2233-R2236 WeakPolarHBondContact OE1-CD 3.41Å; E2233-R2236 IonicContact OE1-CZ 3.44Å; E2233-R2236 IonicContact OE1-NE 3.62Å; E2233-R2236 PolarHBondContact OE1-NE 3.07Å; E2233-R2236 VanDerWaalsContact OE1-NE 3.07Å; E2233-R2236 IonicContact OE1-NH1 3.87Å; E2233-R2236 PolarHBondContact OE1-NH1 3.47Å; E2233-R2236 IonicContact OE1-NH2 2.78Å; E2233-R2236 IonicContact OE2-CZ 3.26Å; E2233-R2236 IonicContact OE2-NE 2.93Å; E2233-R2236 PolarHBondContact OE2-NE 3.06Å; E2233-R2236 VanDerWaalsContact OE2-NE 3.1Å; E2233-R2236 IonicContact OE2-NH1 3.28Å; E2233-R2236 IonicContact OE2-NH2 2.72Å; E2233-R2236 PolarHBondContact OE2-NH2 3.14Å; E2233-L2237 WeakPolarHBondContact O-CD1 3.35Å; E2233-L2237 VanDerWaalsContact O-CG 3.29Å; E2233-L2237 WeakPolarHBondContact O-CG 3.22Å; E2233-L2237 PolarHBondContact O-N 3.13Å; E2233-L2237 VanDerWaalsContact O-N 3.15Å |
| 2234 | V | 83.4 | Confident | 77.9 | Confident | 1.75 Ų | 1.75 | 32.6 Ų | 32.6 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | I1994 I2053 F2057 L2058 A2230 Q2231 R2236 L2237 M2238 | I1994-V2234 HydrophobicContact CD1-CG2 4.18Å; I1994-V2234 HydrophobicContact CG2-CG2 3.73Å; I2053-V2234 HydrophobicContact CG2-CG2 4.15Å; F2057-V2234 HydrophobicContact CB-CG2 4.12Å; F2057-V2234 HydrophobicContact CD2-CG2 3.78Å; F2057-V2234 HydrophobicContact CG-CG2 4.21Å; L2058-V2234 HydrophobicContact CD1-CG1 3.91Å; L2058-V2234 HydrophobicContact CD2-CG1 4.24Å; L2058-V2234 HydrophobicContact CG-CG1 4.03Å; A2230-V2234 WeakPolarHBondContact O-CG2 3.33Å; A2230-V2234 PolarHBondContact O-N 3.16Å; Q2231-V2234 PolarHBondContact O-N 3.16Å; V2234-R2236 VanDerWaalsContact C-N 3.32Å; V2234-R2236 PolarHBondContact O-N 3.36Å; V2234-L2237 PolarHBondContact O-N 3.08Å; V2234-L2237 VanDerWaalsContact O-N 3.1Å; V2234-M2238 WeakPolarHBondContact O-CG 3.4Å; V2234-M2238 PolarHBondContact O-N 3.13Å; V2234-M2238 VanDerWaalsContact O-N 3.11Å |
| 2235 | L | 82.9 | Confident | 79.5 | Confident | 1.25 Ų | 1.25 | 28.2 Ų | 28.2 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 177 | -68.6 | 167.3 | 0 | 0 | 0 | 111.6 | L2058 Q2231 M2232 E2233 L2237 M2238 L2324 F2426 L2427 I2430 | L2058-L2235 HydrophobicContact CD2-CD2 3.67Å; L2058-L2235 HydrophobicContact CD2-CG 4.11Å; Q2231-L2235 HydrophobicContact CG-CD1 4.27Å; Q2231-L2235 WeakPolarHBondContact O-CG 3.35Å; Q2231-L2235 PolarHBondContact O-N 3.35Å; M2232-L2235 PolarHBondContact O-N 3.18Å; E2233-L2235 VanDerWaalsContact C-N 3.31Å; E2233-L2235 PolarHBondContact O-N 3.2Å; L2235-L2237 PolarHBondContact O-N 3.38Å; L2235-M2238 WeakPolarHBondContact O-CB 3.33Å; L2235-M2238 PolarHBondContact O-N 3.09Å; L2235-L2324 HydrophobicContact CD2-CD1 3.45Å; L2235-L2324 VanDerWaalsContact CD2-CD1 3.45Å; L2235-L2324 HydrophobicContact CD2-CD2 3.81Å; L2235-L2324 HydrophobicContact CD2-CG 4.3Å; L2235-F2426 HydrophobicContact CD1-CD1 4.02Å; L2235-F2426 HydrophobicContact CD1-CD2 4.04Å; L2235-F2426 HydrophobicContact CD1-CE1 3.69Å; L2235-F2426 HydrophobicContact CD1-CE2 3.63Å; L2235-F2426 HydrophobicContact CD1-CG 4.17Å; L2235-F2426 HydrophobicContact CD1-CZ 3.5Å; L2235-F2426 VanDerWaalsContact CD1-CZ 3.5Å; L2235-F2426 HydrophobicContact CD2-CD1 4.34Å; L2235-F2426 HydrophobicContact CD2-CD2 4.44Å; L2235-F2426 HydrophobicContact CD2-CE1 3.66Å; L2235-F2426 HydrophobicContact CD2-CE2 4.44Å; L2235-F2426 HydrophobicContact CD2-CZ 4.02Å; L2235-F2426 HydrophobicContact CG-CE1 4.28Å; L2235-F2426 HydrophobicContact CG-CZ 4.23Å; L2235-L2427 HydrophobicContact CD2-CD2 4.47Å; L2235-I2430 HydrophobicContact CB-CD1 3.98Å; L2235-I2430 HydrophobicContact CB-CG1 4.02Å; L2235-I2430 HydrophobicContact CD2-CD1 4.05Å; L2235-I2430 WeakPolarHBondContact O-CD1 3.34Å; L2235-I2430 WeakPolarHBondContact O-CG1 3.24Å |
| 2236 | R | 80.7 | Confident | 80.4 | Confident | 90.25 Ų | 90.25 | 25.9 Ų | 25.9 | 34% | 0.341 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61 | -28.6 | 178.5 | -162.8 | -179.5 | 123.9 | 115.5 | 11.7 | 113.1 | M2232 E2233 V2234 T2433 | M2232-R2236 WeakPolarHBondContact O-CB 3.38Å; M2232-R2236 PolarHBondContact O-N 3.3Å; M2232-R2236 VanDerWaalsContact O-N 3.1Å; E2233-R2236 WeakPolarHBondContact O-CB 3.18Å; E2233-R2236 PolarHBondContact O-N 3.16Å; E2233-R2236 WeakPolarHBondContact OE1-CD 3.41Å; E2233-R2236 IonicContact OE1-CZ 3.44Å; E2233-R2236 IonicContact OE1-NE 3.62Å; E2233-R2236 PolarHBondContact OE1-NE 3.07Å; E2233-R2236 VanDerWaalsContact OE1-NE 3.07Å; E2233-R2236 IonicContact OE1-NH1 3.87Å; E2233-R2236 PolarHBondContact OE1-NH1 3.47Å; E2233-R2236 IonicContact OE1-NH2 2.78Å; E2233-R2236 IonicContact OE2-CZ 3.26Å; E2233-R2236 IonicContact OE2-NE 2.93Å; E2233-R2236 PolarHBondContact OE2-NE 3.06Å; E2233-R2236 VanDerWaalsContact OE2-NE 3.1Å; E2233-R2236 IonicContact OE2-NH1 3.28Å; E2233-R2236 IonicContact OE2-NH2 2.72Å; E2233-R2236 PolarHBondContact OE2-NH2 3.14Å; V2234-R2236 VanDerWaalsContact C-N 3.32Å; V2234-R2236 PolarHBondContact O-N 3.36Å; R2236-T2433 HydrophobicContact CG-CG2 3.55Å; R2236-T2433 VanDerWaalsContact CG-CG2 3.47Å |
| 2237 | L | 83.3 | Confident | 81.2 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -95.6 | -9.5 | -177.8 | -62.2 | 164 | 0 | 0 | 0 | 113.6 | I1994 R1995 V1998 K1999 E2233 V2234 L2235 P2239 D2240 I2241 | I1994-L2237 HydrophobicContact CG2-CD1 4.06Å; R1995-L2237 HydrophobicContact CB-CD1 4.39Å; R1995-L2237 HydrophobicContact CG-CD2 4.43Å; V1998-L2237 HydrophobicContact CB-CD1 3.93Å; V1998-L2237 HydrophobicContact CG1-CB 3.96Å; V1998-L2237 HydrophobicContact CG1-CD1 4.11Å; V1998-L2237 HydrophobicContact CG1-CG 4.44Å; V1998-L2237 HydrophobicContact CG2-CD1 4.38Å; K1999-L2237 HydrophobicContact CD-CD2 4.32Å; K1999-L2237 HydrophobicContact CG-CD2 3.79Å; E2233-L2237 WeakPolarHBondContact O-CD1 3.35Å; E2233-L2237 VanDerWaalsContact O-CG 3.29Å; E2233-L2237 WeakPolarHBondContact O-CG 3.22Å; E2233-L2237 PolarHBondContact O-N 3.13Å; E2233-L2237 VanDerWaalsContact O-N 3.15Å; V2234-L2237 PolarHBondContact O-N 3.08Å; V2234-L2237 VanDerWaalsContact O-N 3.1Å; L2235-L2237 PolarHBondContact O-N 3.38Å; L2237-P2239 VanDerWaalsContact C-CD 3.45Å; L2237-P2239 VanDerWaalsContact C-N 3.33Å; L2237-D2240 WeakPolarHBondContact O-CB 3.28Å; L2237-D2240 PolarHBondContact O-N 3.23Å; L2237-D2240 VanDerWaalsContact O-N 3.11Å; L2237-I2241 WeakPolarHBondContact O-CG1 3.37Å; L2237-I2241 PolarHBondContact O-N 3.1Å; L2237-I2241 VanDerWaalsContact O-N 3.1Å |
| 2238 | M | 86.2 | Confident | 81.7 | Confident | 3.75 Ų | 3.75 | 26.2 Ų | 26.2 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.6 | -40.1 | -179.3 | -83.7 | -65.8 | -116.7 | 0 | 0 | 114.4 | C2054 L2058 V2234 L2235 D2240 I2241 I2242 I2317 L2324 T2328 | C2054-M2238 HydrophobicContact CB-CE 4.24Å; L2058-M2238 HydrophobicContact CD1-CE 3.63Å; L2058-M2238 HydrophobicContact CD1-CG 4.34Å; L2058-M2238 HydrophobicContact CD1-SD 3.8Å; V2234-M2238 WeakPolarHBondContact O-CG 3.4Å; V2234-M2238 PolarHBondContact O-N 3.13Å; V2234-M2238 VanDerWaalsContact O-N 3.11Å; L2235-M2238 WeakPolarHBondContact O-CB 3.33Å; L2235-M2238 PolarHBondContact O-N 3.09Å; M2238-D2240 VanDerWaalsContact C-N 3.31Å; M2238-D2240 PolarHBondContact O-N 3.12Å; M2238-I2241 PolarHBondContact O-N 3.36Å; M2238-I2241 HydrophobicContact SD-CD1 4.18Å; M2238-I2242 HydrophobicContact CE-CD1 4.34Å; M2238-I2242 WeakPolarHBondContact O-CB 3.49Å; M2238-I2242 WeakPolarHBondContact O-CG1 3.26Å; M2238-I2242 PolarHBondContact O-N 3.25Å; M2238-I2317 HydrophobicContact CE-CD1 4.08Å; M2238-I2317 HydrophobicContact CE-CG2 4.31Å; M2238-L2324 HydrophobicContact CE-CD2 4.47Å; M2238-L2324 HydrophobicContact CE-CG 4.49Å; M2238-T2328 HydrophobicContact CB-CG2 3.49Å; M2238-T2328 VanDerWaalsContact CB-CG2 3.43Å; M2238-T2328 HydrophobicContact CG-CG2 4.33Å; M2238-T2328 WeakPolarHBondContact O-CG2 3.27Å |
| 2239 | P | 84.6 | Confident | 82.3 | Confident | 8.75 Ų | 8.75 | 24.3 Ų | 24.3 | 6% | 0.057 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.4 | -24.4 | 35.4 | 0 | 0 | 0 | 113.1 | L2237 I2242 S2243 T2328 V2331 A2332 I2430 | L2237-P2239 VanDerWaalsContact C-CD 3.45Å; L2237-P2239 VanDerWaalsContact C-N 3.33Å; P2239-I2242 PolarHBondContact O-N 3.12Å; P2239-S2243 VanDerWaalsContact O-CB 3.24Å; P2239-S2243 WeakPolarHBondContact O-CB 3.32Å; P2239-S2243 PolarHBondContact O-N 3.3Å; P2239-S2243 PolarHBondContact O-OG 2.9Å; P2239-T2328 HydrophobicContact CB-CG2 4.28Å; P2239-T2328 HydrophobicContact CG-CG2 4.15Å; P2239-T2328 VanDerWaalsContact N-CG2 3.3Å; P2239-V2331 HydrophobicContact CB-CB 4.43Å; P2239-V2331 HydrophobicContact CB-CG1 3.99Å; P2239-V2331 HydrophobicContact CG-CB 4.18Å; P2239-V2331 HydrophobicContact CG-CG1 3.72Å; P2239-A2332 HydrophobicContact CB-CB 4.25Å; P2239-I2430 HydrophobicContact CG-CG2 3.82Å |
| 2240 | D | 82.9 | Confident | 82.8 | Confident | 64.5 Ų | 64.5 | 20.9 Ų | 20.9 | 35% | 0.345 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 176.8 | -65.4 | -20.5 | 0 | 0 | 0 | 110.7 | K1999 L2237 M2238 I2242 S2243 S2244 | K1999-D2240 IonicContact NZ-OD2 3.33Å; K1999-D2240 PolarHBondContact NZ-OD2 3.39Å; L2237-D2240 WeakPolarHBondContact O-CB 3.28Å; L2237-D2240 PolarHBondContact O-N 3.23Å; L2237-D2240 VanDerWaalsContact O-N 3.11Å; M2238-D2240 VanDerWaalsContact C-N 3.31Å; M2238-D2240 PolarHBondContact O-N 3.12Å; D2240-I2242 PolarHBondContact O-N 3.23Å; D2240-S2243 WeakPolarHBondContact CA-OG 3.47Å; D2240-S2243 PolarHBondContact O-N 2.92Å; D2240-S2243 PolarHBondContact O-OG 2.91Å; D2240-S2244 WeakPolarHBondContact O-CB 3.4Å; D2240-S2244 PolarHBondContact O-N 3.08Å; D2240-S2244 VanDerWaalsContact O-N 3.07Å; D2240-S2244 PolarHBondContact O-OG 3.17Å |
| 2241 | I | 85.9 | Confident | 82.9 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 176.6 | -64.8 | 167.8 | 0 | 0 | 0 | 110.6 | V1998 I2050 L2237 M2238 S2243 S2244 I2245 | V1998-I2241 HydrophobicContact CG1-CD1 3.72Å; V1998-I2241 HydrophobicContact CG1-CG1 3.57Å; I2050-I2241 HydrophobicContact CG2-CD1 4.31Å; I2050-I2241 HydrophobicContact CG2-CG1 4.49Å; I2050-I2241 HydrophobicContact CG2-CG2 3.86Å; L2237-I2241 WeakPolarHBondContact O-CG1 3.37Å; L2237-I2241 PolarHBondContact O-N 3.1Å; L2237-I2241 VanDerWaalsContact O-N 3.1Å; M2238-I2241 PolarHBondContact O-N 3.36Å; M2238-I2241 HydrophobicContact SD-CD1 4.18Å; I2241-S2243 VanDerWaalsContact C-N 3.33Å; I2241-S2243 PolarHBondContact O-N 3.27Å; I2241-S2244 PolarHBondContact O-N 3.07Å; I2241-S2244 PolarHBondContact O-OG 3.29Å; I2241-I2245 HydrophobicContact CG2-CD1 3.6Å; I2241-I2245 HydrophobicContact CG2-CG1 4.36Å; I2241-I2245 WeakPolarHBondContact O-CB 3.34Å; I2241-I2245 VanDerWaalsContact O-CG1 3.27Å; I2241-I2245 WeakPolarHBondContact O-CG1 3.17Å; I2241-I2245 PolarHBondContact O-N 3.08Å |
| 2242 | I | 87 | Confident | 82.7 | Confident | 2.25 Ų | 2.25 | 19.1 Ų | 19.1 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | -178.4 | -69.9 | 177.4 | 0 | 0 | 0 | 111.2 | M2238 P2239 D2240 S2244 I2245 S2246 L2325 T2328 T2329 A2332 L2387 L2390 | M2238-I2242 HydrophobicContact CE-CD1 4.34Å; M2238-I2242 WeakPolarHBondContact O-CB 3.49Å; M2238-I2242 WeakPolarHBondContact O-CG1 3.26Å; M2238-I2242 PolarHBondContact O-N 3.25Å; P2239-I2242 PolarHBondContact O-N 3.12Å; D2240-I2242 PolarHBondContact O-N 3.23Å; I2242-S2244 VanDerWaalsContact C-N 3.33Å; I2242-S2244 PolarHBondContact O-N 3.19Å; I2242-I2245 PolarHBondContact O-N 2.94Å; I2242-S2246 WeakPolarHBondContact O-CB 3.21Å; I2242-S2246 PolarHBondContact O-N 3.31Å; I2242-L2325 HydrophobicContact CD1-CD1 3.78Å; I2242-T2328 HydrophobicContact CB-CG2 4.42Å; I2242-T2328 HydrophobicContact CD1-CG2 3.33Å; I2242-T2328 WeakPolarHBondContact CD1-OG1 3.35Å; I2242-T2328 HydrophobicContact CG1-CG2 3.9Å; I2242-T2329 HydrophobicContact CD1-CG2 4.12Å; I2242-T2329 HydrophobicContact CG2-CG2 3.95Å; I2242-A2332 HydrophobicContact CG2-CB 4.28Å; I2242-L2387 HydrophobicContact CG2-CD2 3.63Å; I2242-L2390 HydrophobicContact CG2-CD2 4.37Å |
| 2243 | S | 85.2 | Confident | 82.7 | Confident | 46.25 Ų | 46.25 | 15.1 Ų | 15.1 | 32% | 0.323 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 176.2 | 92 | 0 | 0 | 0 | 0 | 112.1 | P2239 D2240 I2241 S2246 F2247 | P2239-S2243 VanDerWaalsContact O-CB 3.24Å; P2239-S2243 WeakPolarHBondContact O-CB 3.32Å; P2239-S2243 PolarHBondContact O-N 3.3Å; P2239-S2243 PolarHBondContact O-OG 2.9Å; D2240-S2243 WeakPolarHBondContact CA-OG 3.47Å; D2240-S2243 PolarHBondContact O-N 2.92Å; D2240-S2243 PolarHBondContact O-OG 2.91Å; I2241-S2243 VanDerWaalsContact C-N 3.33Å; I2241-S2243 PolarHBondContact O-N 3.27Å; S2243-S2246 WeakPolarHBondContact O-CB 3.29Å; S2243-S2246 PolarHBondContact O-N 3.19Å; S2243-F2247 PolarHBondContact O-N 3.09Å |
| 2244 | S | 83.4 | Confident | 82.2 | Confident | 1.75 Ų | 1.75 | 15.3 Ų | 15.3 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.9 | -42.4 | 178.9 | -39.4 | 0 | 0 | 0 | 0 | 112.5 | C2002 L2005 N2006 D2240 I2241 I2242 S2246 F2247 L2248 | C2002-S2244 WeakPolarHBondContact CB-OG 3.43Å; C2002-S2244 PolarHBondContact O-OG 3.45Å; L2005-S2244 VanDerWaalsContact CD2-O 3.28Å; L2005-S2244 WeakPolarHBondContact CD2-O 3.5Å; N2006-S2244 PolarHBondContact ND2-OG 3.17Å; N2006-S2244 VanDerWaalsContact OD1-CA 3.28Å; N2006-S2244 WeakPolarHBondContact OD1-CA 3.3Å; N2006-S2244 VanDerWaalsContact OD1-CB 3.28Å; N2006-S2244 WeakPolarHBondContact OD1-CB 3.37Å; N2006-S2244 PolarHBondContact OD1-OG 3.1Å; D2240-S2244 WeakPolarHBondContact O-CB 3.4Å; D2240-S2244 PolarHBondContact O-N 3.08Å; D2240-S2244 VanDerWaalsContact O-N 3.07Å; D2240-S2244 PolarHBondContact O-OG 3.17Å; I2241-S2244 PolarHBondContact O-N 3.07Å; I2241-S2244 PolarHBondContact O-OG 3.29Å; I2242-S2244 VanDerWaalsContact C-N 3.33Å; I2242-S2244 PolarHBondContact O-N 3.19Å; S2244-S2246 VanDerWaalsContact C-N 3.33Å; S2244-S2246 PolarHBondContact O-N 3.13Å; S2244-F2247 PolarHBondContact O-N 3.03Å; S2244-L2248 PolarHBondContact O-N 2.99Å |
| 2245 | I | 88.1 | Confident | 81.4 | Confident | 0.25 Ų | 0.25 | 15.5 Ų | 15.5 | 0% | 0.001 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 175 | -69.8 | 173.1 | 0 | 0 | 0 | 111.1 | L2047 I2241 I2242 F2247 L2248 W2249 I2310 L2313 L2314 L2390 | L2047-I2245 HydrophobicContact CD2-CD1 4.41Å; L2047-I2245 HydrophobicContact CD2-CG1 4.35Å; I2241-I2245 HydrophobicContact CG2-CD1 3.6Å; I2241-I2245 HydrophobicContact CG2-CG1 4.36Å; I2241-I2245 WeakPolarHBondContact O-CB 3.34Å; I2241-I2245 VanDerWaalsContact O-CG1 3.27Å; I2241-I2245 WeakPolarHBondContact O-CG1 3.17Å; I2241-I2245 PolarHBondContact O-N 3.08Å; I2242-I2245 PolarHBondContact O-N 2.94Å; I2245-F2247 VanDerWaalsContact C-N 3.34Å; I2245-L2248 WeakPolarHBondContact O-CB 3.24Å; I2245-L2248 PolarHBondContact O-N 3.05Å; I2245-W2249 WeakPolarHBondContact O-CB 3.25Å; I2245-W2249 PolarHBondContact O-N 3.37Å; I2245-I2310 HydrophobicContact CG2-CB 4.4Å; I2245-I2310 HydrophobicContact CG2-CD1 4.13Å; I2245-I2310 HydrophobicContact CG2-CG1 4.04Å; I2245-I2310 HydrophobicContact CG2-CG2 3.51Å; I2245-I2310 VanDerWaalsContact CG2-CG2 3.49Å; I2245-L2313 HydrophobicContact CD1-CD1 4.21Å; I2245-L2313 HydrophobicContact CD1-CD2 3.95Å; I2245-L2313 VanDerWaalsContact CD1-CD2 3.45Å; I2245-L2314 HydrophobicContact CG2-CD1 4.31Å; I2245-L2390 HydrophobicContact CB-CD2 4.48Å; I2245-L2390 HydrophobicContact CG2-CD1 3.84Å; I2245-L2390 HydrophobicContact CG2-CD2 3.9Å |
| 2246 | S | 84.8 | Confident | 80.1 | Confident | 1.25 Ų | 1.25 | 17 Ų | 17 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | I2242 S2243 S2244 L2248 W2249 N2250 S2386 L2387 | I2242-S2246 WeakPolarHBondContact O-CB 3.21Å; I2242-S2246 PolarHBondContact O-N 3.31Å; S2243-S2246 WeakPolarHBondContact O-CB 3.29Å; S2243-S2246 PolarHBondContact O-N 3.19Å; S2244-S2246 VanDerWaalsContact C-N 3.33Å; S2244-S2246 PolarHBondContact O-N 3.13Å; S2246-L2248 PolarHBondContact O-N 3.14Å; S2246-W2249 WeakPolarHBondContact O-CB 3.36Å; S2246-W2249 PolarHBondContact O-N 3.27Å; S2246-N2250 PolarHBondContact O-N 3.29Å; S2246-S2386 VanDerWaalsContact OG-CB 3.25Å; S2246-S2386 WeakPolarHBondContact OG-CB 3.34Å; S2246-S2386 PolarHBondContact OG-O 3.18Å; S2246-S2386 PolarHBondContact OG-OG 3.17Å; S2246-L2387 VanDerWaalsContact OG-CA 3.3Å; S2246-L2387 WeakPolarHBondContact OG-CA 3.29Å; S2246-L2387 WeakPolarHBondContact OG-CG 3.37Å; S2246-L2387 PolarHBondContact OG-N 3.15Å |
| 2247 | F | 82.8 | Confident | 78.9 | Confident | 42.75 Ų | 42.75 | 17.9 Ų | 17.9 | 19% | 0.188 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.4 | -174.2 | -137.7 | 0 | 0 | 0 | 112.3 | N2006 C2009 D2010 S2243 S2244 I2245 W2249 N2250 T2251 | N2006-F2247 HydrophobicContact CB-CD1 4.4Å; N2006-F2247 WeakPolarHBondContact O-CE1 3.18Å; C2009-F2247 HydrophobicContact CB-CD1 3.36Å; C2009-F2247 HydrophobicContact CB-CE1 3.23Å; C2009-F2247 VanDerWaalsContact CB-CE1 3.43Å; C2009-F2247 HydrophobicContact CB-CG 4.13Å; C2009-F2247 HydrophobicContact CB-CZ 3.87Å; D2010-F2247 HydrophobicContact CB-CE1 4.45Å; D2010-F2247 VanDerWaalsContact OD1-CE1 3.26Å; D2010-F2247 WeakPolarHBondContact OD1-CE1 3.28Å; D2010-F2247 VanDerWaalsContact OD1-CZ 3.26Å; D2010-F2247 WeakPolarHBondContact OD1-CZ 3.31Å; S2243-F2247 PolarHBondContact O-N 3.09Å; S2244-F2247 PolarHBondContact O-N 3.03Å; I2245-F2247 VanDerWaalsContact C-N 3.34Å; F2247-W2249 PolarHBondContact O-N 2.97Å; F2247-N2250 PolarHBondContact O-N 3.23Å; F2247-T2251 WeakPolarHBondContact O-CB 3.3Å; F2247-T2251 PolarHBondContact O-N 3.08Å; F2247-T2251 PolarHBondContact O-OG1 3.12Å |
| 2248 | L | 83.7 | Confident | 77.3 | Confident | 0.25 Ų | 0.25 | 18.3 Ų | 18.3 | 0% | 0.001 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 171.5 | 177.5 | 65.7 | 0 | 0 | 0 | 112.1 | L2005 C2009 L2047 S2244 I2245 S2246 N2250 T2251 L2252 L2300 V2306 I2310 | L2005-L2248 HydrophobicContact CD1-CD1 4.23Å; L2005-L2248 HydrophobicContact CD1-CD2 4.16Å; L2005-L2248 HydrophobicContact CD2-CB 4.24Å; L2005-L2248 HydrophobicContact CD2-CD2 4.35Å; L2005-L2248 HydrophobicContact CG-CD2 4.48Å; C2009-L2248 VanDerWaalsContact SG-CA 3.55Å; C2009-L2248 VanDerWaalsContact SG-CD1 3.58Å; L2047-L2248 HydrophobicContact CD1-CD2 4.22Å; S2244-L2248 PolarHBondContact O-N 2.99Å; I2245-L2248 WeakPolarHBondContact O-CB 3.24Å; I2245-L2248 PolarHBondContact O-N 3.05Å; S2246-L2248 PolarHBondContact O-N 3.14Å; L2248-N2250 VanDerWaalsContact C-N 3.33Å; L2248-N2250 PolarHBondContact O-N 2.98Å; L2248-T2251 PolarHBondContact O-N 3.18Å; L2248-L2252 HydrophobicContact CD1-CD1 4.09Å; L2248-L2252 HydrophobicContact CD1-CG 4.12Å; L2248-L2252 HydrophobicContact CG-CD1 4.29Å; L2248-L2252 WeakPolarHBondContact O-CB 3.39Å; L2248-L2252 VanDerWaalsContact O-CG 3.27Å; L2248-L2252 WeakPolarHBondContact O-CG 3.38Å; L2248-L2252 PolarHBondContact O-N 3.21Å; L2248-L2300 HydrophobicContact CD1-CD1 3.65Å; L2248-L2300 HydrophobicContact CD1-CD2 3.94Å; L2248-L2300 HydrophobicContact CD1-CG 4.24Å; L2248-V2306 HydrophobicContact CD2-CG1 3.89Å; L2248-V2306 HydrophobicContact CG-CG1 4.39Å; L2248-I2310 HydrophobicContact CD2-CD1 4.04Å; L2248-I2310 HydrophobicContact CG-CD1 4.4Å |
| 2249 | W | 83 | Confident | 75.5 | Confident | 5.5 Ų | 5.5 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 177.9 | -172 | -84.8 | 0 | 0 | 0 | 112.1 | I2245 S2246 F2247 L2252 N2253 R2307 I2310 D2389 L2390 R2394 T2395 Y2401 | I2245-W2249 WeakPolarHBondContact O-CB 3.25Å; I2245-W2249 PolarHBondContact O-N 3.37Å; S2246-W2249 WeakPolarHBondContact O-CB 3.36Å; S2246-W2249 PolarHBondContact O-N 3.27Å; F2247-W2249 PolarHBondContact O-N 2.97Å; W2249-L2252 WeakPolarHBondContact O-CB 3.32Å; W2249-L2252 PolarHBondContact O-N 3.16Å; W2249-N2253 PolarHBondContact NE1-ND2 2.96Å; W2249-N2253 WeakPolarHBondContact O-CB 3.33Å; W2249-N2253 PolarHBondContact O-N 3.09Å; W2249-R2307 HydrophobicContact CD2-CG 4.42Å; W2249-R2307 HydrophobicContact CE3-CB 4.4Å; W2249-R2307 HydrophobicContact CE3-CG 3.89Å; W2249-R2307 HydrophobicContact CH2-CB 3.9Å; W2249-R2307 HydrophobicContact CH2-CG 3.77Å; W2249-R2307 HydrophobicContact CZ2-CG 4.4Å; W2249-R2307 HydrophobicContact CZ3-CB 3.6Å; W2249-R2307 HydrophobicContact CZ3-CG 3.5Å; W2249-R2307 VanDerWaalsContact CZ3-CG 3.48Å; W2249-I2310 HydrophobicContact CE3-CB 4.45Å; W2249-I2310 HydrophobicContact CE3-CD1 3.99Å; W2249-I2310 HydrophobicContact CE3-CG2 4.26Å; W2249-I2310 HydrophobicContact CZ3-CB 4.48Å; W2249-I2310 HydrophobicContact CZ3-CG2 4.31Å; W2249-D2389 PolarHBondContact NE1-O 3.1Å; W2249-L2390 HydrophobicContact CB-CB 4.47Å; W2249-L2390 HydrophobicContact CB-CD1 4.22Å; W2249-L2390 HydrophobicContact CD2-CD1 4.04Å; W2249-L2390 HydrophobicContact CE3-CD1 3.82Å; W2249-L2390 HydrophobicContact CG-CB 4.38Å; W2249-L2390 HydrophobicContact CG-CD1 4.22Å; W2249-L2390 HydrophobicContact CZ3-CD1 4.49Å; W2249-R2394 PolarHBondContact NE1-O 2.98Å; W2249-T2395 HydrophobicContact CH2-CG2 4.35Å; W2249-T2395 HydrophobicContact CZ2-CG2 3.69Å; W2249-Y2401 HydrophobicContact CH2-CD2 4.32Å; W2249-Y2401 HydrophobicContact CH2-CG 4.3Å |
| 2250 | N | 81.5 | Confident | 73.6 | Confident | 2.5 Ų | 2.5 | 28 Ų | 28 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 175.9 | 176.2 | 59.6 | 0 | 0 | 0 | 112.3 | S2246 F2247 L2248 L2252 N2253 Q2254 Q2382 S2386 | S2246-N2250 PolarHBondContact O-N 3.29Å; F2247-N2250 PolarHBondContact O-N 3.23Å; L2248-N2250 VanDerWaalsContact C-N 3.33Å; L2248-N2250 PolarHBondContact O-N 2.98Å; N2250-L2252 VanDerWaalsContact C-N 3.29Å; N2250-L2252 PolarHBondContact O-N 3.2Å; N2250-N2253 WeakPolarHBondContact O-CB 3.43Å; N2250-N2253 PolarHBondContact O-N 3.01Å; N2250-N2253 VanDerWaalsContact O-N 3.12Å; N2250-Q2254 PolarHBondContact ND2-NE2 3.25Å; N2250-Q2254 VanDerWaalsContact ND2-NE2 3.12Å; N2250-Q2254 WeakPolarHBondContact O-CG 3.38Å; N2250-Q2254 PolarHBondContact O-N 3.2Å; N2250-Q2254 PolarHBondContact OD1-NE2 2.9Å; N2250-Q2254 VanDerWaalsContact OD1-NE2 3.1Å; N2250-Q2382 PolarHBondContact ND2-NE2 2.92Å; N2250-Q2382 PolarHBondContact OD1-NE2 3.07Å; N2250-S2386 VanDerWaalsContact CB-CB 3.5Å |
| 2251 | T | 76.5 | Confident | 71.5 | Confident | 0.25 Ų | 0.25 | 31.3 Ų | 31.3 | 0% | 0.002 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 177.6 | -57 | 0 | 0 | 0 | 0 | 111.6 | C2009 A2012 F2247 L2248 Q2254 S2255 L2300 | C2009-T2251 HydrophobicContact CB-CG2 4.46Å; A2012-T2251 HydrophobicContact CB-CG2 3.73Å; F2247-T2251 WeakPolarHBondContact O-CB 3.3Å; F2247-T2251 PolarHBondContact O-N 3.08Å; F2247-T2251 PolarHBondContact O-OG1 3.12Å; L2248-T2251 PolarHBondContact O-N 3.18Å; T2251-Q2254 PolarHBondContact O-N 2.96Å; T2251-S2255 PolarHBondContact O-N 3.08Å; T2251-L2300 HydrophobicContact CG2-CD2 3.98Å |
| 2252 | L | 76.5 | Confident | 69 | Low | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 172.1 | -71.6 | 169.1 | 0 | 0 | 0 | 112.1 | L2248 W2249 N2250 Q2254 S2255 C2258 L2300 A2303 V2306 R2307 | L2248-L2252 HydrophobicContact CD1-CD1 4.09Å; L2248-L2252 HydrophobicContact CD1-CG 4.12Å; L2248-L2252 HydrophobicContact CG-CD1 4.29Å; L2248-L2252 WeakPolarHBondContact O-CB 3.39Å; L2248-L2252 VanDerWaalsContact O-CG 3.27Å; L2248-L2252 WeakPolarHBondContact O-CG 3.38Å; L2248-L2252 PolarHBondContact O-N 3.21Å; W2249-L2252 WeakPolarHBondContact O-CB 3.32Å; W2249-L2252 PolarHBondContact O-N 3.16Å; N2250-L2252 VanDerWaalsContact C-N 3.29Å; N2250-L2252 PolarHBondContact O-N 3.2Å; L2252-Q2254 VanDerWaalsContact C-N 3.27Å; L2252-Q2254 PolarHBondContact O-N 3.16Å; L2252-S2255 VanDerWaalsContact O-CB 3.29Å; L2252-S2255 WeakPolarHBondContact O-CB 3.42Å; L2252-S2255 PolarHBondContact O-N 3.15Å; L2252-S2255 VanDerWaalsContact O-N 3.12Å; L2252-S2255 PolarHBondContact O-OG 3.17Å; L2252-C2258 PolarHBondContact O-SG 3.08Å; L2252-C2258 VanDerWaalsContact O-SG 3.33Å; L2252-L2300 HydrophobicContact CD2-CB 4.37Å; L2252-L2300 HydrophobicContact CD2-CD2 3.6Å; L2252-L2300 VanDerWaalsContact CD2-CD2 3.46Å; L2252-L2300 HydrophobicContact CD2-CG 3.87Å; L2252-L2300 HydrophobicContact CG-CD2 4.06Å; L2252-L2300 HydrophobicContact CG-CG 4.48Å; L2252-A2303 HydrophobicContact CD2-CB 3.98Å; L2252-V2306 HydrophobicContact CD1-CB 4Å; L2252-V2306 HydrophobicContact CD1-CG1 3.66Å; L2252-R2307 HydrophobicContact CD1-CG 4.27Å |
| 2253 | N | 75.5 | Confident | 66.4 | Low | 0.5 Ų | 0.5 | 40.5 Ų | 40.5 | 0% | 0.003 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -34.7 | 177 | -81 | -3.6 | 0 | 0 | 0 | 112.4 | W2249 N2250 S2255 R2307 D2389 R2394 Y2396 | W2249-N2253 PolarHBondContact NE1-ND2 2.96Å; W2249-N2253 WeakPolarHBondContact O-CB 3.33Å; W2249-N2253 PolarHBondContact O-N 3.09Å; N2250-N2253 WeakPolarHBondContact O-CB 3.43Å; N2250-N2253 PolarHBondContact O-N 3.01Å; N2250-N2253 VanDerWaalsContact O-N 3.12Å; N2253-S2255 VanDerWaalsContact C-N 3.32Å; N2253-S2255 PolarHBondContact O-N 3.23Å; N2253-R2307 PolarHBondContact OD1-NE 2.77Å; N2253-R2307 PolarHBondContact OD1-NH2 3.1Å; N2253-D2389 PolarHBondContact ND2-OD2 3.34Å; N2253-R2394 PolarHBondContact ND2-O 2.96Å; N2253-Y2396 HydrophobicContact CB-CD2 3.69Å; N2253-Y2396 HydrophobicContact CB-CE2 3.67Å; N2253-Y2396 HydrophobicContact CB-CG 4.29Å; N2253-Y2396 VanDerWaalsContact O-CD2 3.31Å; N2253-Y2396 WeakPolarHBondContact O-CD2 3.37Å |
| 2254 | Q | 69 | Low | 63.9 | Low | 40.5 Ų | 40.5 | 43.7 Ų | 43.7 | 19% | 0.189 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.5 | 178.1 | -63 | -174.9 | 20.7 | 0 | 0 | 114.1 | Y2013 I2016 N2250 T2251 L2252 Q2259 | Y2013-Q2254 VanDerWaalsContact CD2-OE1 3.26Å; Y2013-Q2254 VanDerWaalsContact CE2-OE1 3.26Å; I2016-Q2254 HydrophobicContact CD1-CB 4.47Å; N2250-Q2254 PolarHBondContact ND2-NE2 3.25Å; N2250-Q2254 VanDerWaalsContact ND2-NE2 3.12Å; N2250-Q2254 WeakPolarHBondContact O-CG 3.38Å; N2250-Q2254 PolarHBondContact O-N 3.2Å; N2250-Q2254 PolarHBondContact OD1-NE2 2.9Å; N2250-Q2254 VanDerWaalsContact OD1-NE2 3.1Å; T2251-Q2254 PolarHBondContact O-N 2.96Å; L2252-Q2254 VanDerWaalsContact C-N 3.27Å; L2252-Q2254 PolarHBondContact O-N 3.16Å; Q2254-Q2259 PolarHBondContact O-NE2 3.26Å |
| 2255 | S | 65.9 | Low | 61.3 | Low | 6.75 Ų | 6.75 | 50.3 Ų | 50.3 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -68.7 | 141.5 | -178.2 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | T2251 L2252 N2253 F2257 C2258 Q2259 | T2251-S2255 PolarHBondContact O-N 3.08Å; L2252-S2255 VanDerWaalsContact O-CB 3.29Å; L2252-S2255 WeakPolarHBondContact O-CB 3.42Å; L2252-S2255 PolarHBondContact O-N 3.15Å; L2252-S2255 VanDerWaalsContact O-N 3.12Å; L2252-S2255 PolarHBondContact O-OG 3.17Å; N2253-S2255 VanDerWaalsContact C-N 3.32Å; N2253-S2255 PolarHBondContact O-N 3.23Å; S2255-F2257 PolarHBondContact O-N 2.96Å; S2255-F2257 VanDerWaalsContact O-N 3.14Å; S2255-C2258 WeakPolarHBondContact O-CA 2.81Å; S2255-C2258 VanDerWaalsContact O-CB 3.26Å; S2255-C2258 WeakPolarHBondContact O-CB 3.45Å; S2255-C2258 PolarHBondContact O-N 3.14Å; S2255-C2258 VanDerWaalsContact O-N 3.11Å; S2255-C2258 PolarHBondContact OG-SG 3.42Å; S2255-C2258 VanDerWaalsContact OG-SG 3.36Å; S2255-Q2259 PolarHBondContact O-N 3.32Å |
| 2256 | P | 56.4 | Low | 58.8 | Low | 33 Ų | 33 | 56.9 Ų | 56.9 | 21% | 0.214 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -22.5 | -177.5 | 23.5 | -33.5 | 0 | 0 | 0 | 113.5 | C2258 Q2259 L2260 L2297 | P2256-C2258 PolarHBondContact O-N 3.11Å; P2256-Q2259 PolarHBondContact O-N 3.17Å; P2256-Q2259 VanDerWaalsContact O-N 3.11Å; P2256-L2260 WeakPolarHBondContact O-CD1 3.22Å; P2256-L2260 PolarHBondContact O-N 3.18Å; P2256-L2260 VanDerWaalsContact O-N 3.13Å; P2256-L2297 HydrophobicContact CG-CD1 3.58Å |
| 2257 | F | 53.8 | Low | 56.2 | Low | 107.25 Ų | 107.25 | 65.4 Ų | 65.4 | 47% | 0.47 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -27.5 | 174.5 | -68.2 | -68.8 | 0 | 0 | 0 | 113 | S2255 Q2259 L2260 L2294 L2297 | S2255-F2257 PolarHBondContact O-N 2.96Å; S2255-F2257 VanDerWaalsContact O-N 3.14Å; F2257-Q2259 VanDerWaalsContact C-N 3.34Å; F2257-L2260 HydrophobicContact CD1-CD1 4.36Å; F2257-L2294 HydrophobicContact CE1-CD2 4.26Å; F2257-L2294 HydrophobicContact CE2-CD2 3.96Å; F2257-L2294 HydrophobicContact CZ-CD2 3.84Å; F2257-L2297 HydrophobicContact CD2-CB 4.33Å; F2257-L2297 HydrophobicContact CD2-CD1 4.46Å; F2257-L2297 HydrophobicContact CE2-CB 3.92Å; F2257-L2297 HydrophobicContact CE2-CD1 4.13Å |
| 2258 | C | 50.2 | Low | 53.7 | Low | 10 Ų | 10 | 66.2 Ų | 66.2 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.4 | -39.1 | 173 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | L2252 S2255 P2256 L2260 R2307 D2397 | L2252-C2258 PolarHBondContact O-SG 3.08Å; L2252-C2258 VanDerWaalsContact O-SG 3.33Å; S2255-C2258 WeakPolarHBondContact O-CA 2.81Å; S2255-C2258 VanDerWaalsContact O-CB 3.26Å; S2255-C2258 WeakPolarHBondContact O-CB 3.45Å; S2255-C2258 PolarHBondContact O-N 3.14Å; S2255-C2258 VanDerWaalsContact O-N 3.11Å; S2255-C2258 PolarHBondContact OG-SG 3.42Å; S2255-C2258 VanDerWaalsContact OG-SG 3.36Å; P2256-C2258 PolarHBondContact O-N 3.11Å; C2258-L2260 VanDerWaalsContact C-N 3.31Å; C2258-L2260 PolarHBondContact O-N 3.19Å; C2258-R2307 PolarHBondContact SG-NH2 3.38Å; C2258-R2307 VanDerWaalsContact SG-NH2 3.38Å; C2258-D2397 VanDerWaalsContact CA-OD1 3.25Å; C2258-D2397 WeakPolarHBondContact CA-OD1 3.28Å; C2258-D2397 WeakPolarHBondContact CB-OD1 3.32Å; C2258-D2397 VanDerWaalsContact O-OD1 3.1Å; C2258-D2397 VanDerWaalsContact SG-CG 3.51Å; C2258-D2397 PolarHBondContact SG-OD1 3.2Å; C2258-D2397 PolarHBondContact SG-OD2 3.12Å |
| 2259 | Q | 48.5 | Very low | 51.1 | Low | 91.25 Ų | 91.25 | 70.1 Ų | 70.1 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -80.9 | -16.1 | -174.4 | -64 | 178.5 | -6.3 | 0 | 0 | 114.8 | Q2254 S2255 P2256 F2257 N2261 K2262 | Q2254-Q2259 PolarHBondContact O-NE2 3.26Å; S2255-Q2259 PolarHBondContact O-N 3.32Å; P2256-Q2259 PolarHBondContact O-N 3.17Å; P2256-Q2259 VanDerWaalsContact O-N 3.11Å; F2257-Q2259 VanDerWaalsContact C-N 3.34Å; Q2259-N2261 VanDerWaalsContact C-N 3.31Å; Q2259-N2261 CarbonylContact O-C 3.58Å; Q2259-N2261 PolarHBondContact O-N 3.12Å; Q2259-N2261 VanDerWaalsContact O-N 3.09Å; Q2259-K2262 PolarHBondContact O-N 3.43Å |
| 2260 | L | 44.1 | Very low | 48.6 | Very low | 124.25 Ų | 124.25 | 75.4 Ų | 75.4 | 65% | 0.651 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.8 | -177.2 | -89.6 | 157.3 | 0 | 0 | 0 | 114.2 | P2256 F2257 C2258 K2262 I2289 | P2256-L2260 WeakPolarHBondContact O-CD1 3.22Å; P2256-L2260 PolarHBondContact O-N 3.18Å; P2256-L2260 VanDerWaalsContact O-N 3.13Å; F2257-L2260 HydrophobicContact CD1-CD1 4.36Å; C2258-L2260 VanDerWaalsContact C-N 3.31Å; C2258-L2260 PolarHBondContact O-N 3.19Å; L2260-K2262 PolarHBondContact O-N 3.27Å; L2260-I2289 HydrophobicContact CD1-CD1 4.39Å |
| 2261 | N | 39.5 | Very low | 46.1 | Very low | 135.25 Ų | 135.25 | 79.9 Ų | 79.9 | 72% | 0.723 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 42.4 | -179.8 | -94 | -10.2 | 0 | 0 | 0 | 114.2 | Q2259 | Q2259-N2261 VanDerWaalsContact C-N 3.31Å; Q2259-N2261 CarbonylContact O-C 3.58Å; Q2259-N2261 PolarHBondContact O-N 3.12Å; Q2259-N2261 VanDerWaalsContact O-N 3.09Å |
| 2262 | K | 33.3 | Very low | 43.8 | Very low | 145 Ų | 145 | 85.5 Ų | 85.5 | 63% | 0.63 | 45% | 0.448 | S | S | * | . | trans | 143.6 | 109.7 | 166.5 | -65.4 | -178.6 | -178.9 | 171.8 | 0 | 114.4 | Q2259 L2260 N2264 D2398 | Q2259-K2262 PolarHBondContact O-N 3.43Å; L2260-K2262 PolarHBondContact O-N 3.27Å; K2262-N2264 VanDerWaalsContact C-N 3.35Å; K2262-N2264 PolarHBondContact O-N 3.31Å; K2262-D2398 IonicContact NZ-OD2 3.55Å; K2262-D2398 PolarHBondContact NZ-OD2 3.2Å | ||
| 2263 | G | 33 | Very low | 41.5 | Very low | 53 Ų | 53 | 91.6 Ų | 91.6 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | trans | -55 | 115.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113 | F2265 | G2263-F2265 WeakPolarHBondContact O-CD2 3.28Å; G2263-F2265 VanDerWaalsContact O-CE2 3.31Å; G2263-F2265 WeakPolarHBondContact O-CE2 3.27Å; G2263-F2265 PolarHBondContact O-N 3.29Å | ||
| 2264 | N | 31.8 | Very low | 39.2 | Very low | 113 Ų | 113 | 95.8 Ų | 95.8 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | trans | 1.6 | 105 | 173.3 | -62.3 | -29.3 | 0 | 0 | 0 | 113.2 | H2020 K2262 Y2266 | H2020-N2264 PolarHBondContact CE1-OD1 3.11Å; K2262-N2264 VanDerWaalsContact C-N 3.35Å; K2262-N2264 PolarHBondContact O-N 3.31Å; N2264-Y2266 PolarHBondContact O-N 3.23Å | ||
| 2265 | F | 30.2 | Very low | 37.3 | Very low | 141 Ų | 141 | 103.9 Ų | 103.9 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | trans | -122.2 | 95.2 | 165.3 | -72.7 | -69.5 | 0 | 0 | 0 | 112.7 | H2020 G2263 K2267 R2368 | H2020-F2265 AromaticContact CE1-CE1 3.67Å; G2263-F2265 WeakPolarHBondContact O-CD2 3.28Å; G2263-F2265 VanDerWaalsContact O-CE2 3.31Å; G2263-F2265 WeakPolarHBondContact O-CE2 3.27Å; G2263-F2265 PolarHBondContact O-N 3.29Å; F2265-K2267 PolarHBondContact O-N 3.2Å; F2265-R2368 HydrophobicContact CD1-CG 4.45Å; F2265-R2368 HydrophobicContact CE1-CB 4.26Å; F2265-R2368 HydrophobicContact CE1-CG 3.27Å; F2265-R2368 HydrophobicContact CZ-CG 3.43Å; F2265-R2368 VanDerWaalsContact CZ-CG 3.43Å | ||
| 2266 | Y | 34 | Very low | 35.6 | Very low | 138.75 Ų | 138.75 | 111.6 Ų | 111.6 | 54% | 0.544 | 57% | 0.573 | S | S | . | * | trans | -115.9 | 82.2 | 165.5 | -73.8 | -74.8 | 0 | 0 | 0 | 112.1 | N2264 S2268 M2375 I2385 R2394 Y2396 | N2264-Y2266 PolarHBondContact O-N 3.23Å; Y2266-S2268 PolarHBondContact O-N 2.91Å; Y2266-M2375 HydrophobicContact CE1-CE 4.47Å; Y2266-M2375 PolarHBondContact OH-SD 3.38Å; Y2266-M2375 VanDerWaalsContact OH-SD 3.33Å; Y2266-I2385 HydrophobicContact CD1-CD1 4.31Å; Y2266-I2385 HydrophobicContact CE1-CD1 4.26Å; Y2266-R2394 PolarHBondContact OH-NH1 3.4Å; Y2266-R2394 PolarHBondContact OH-NH2 3.25Å; Y2266-Y2396 HydrophobicContact CD2-CD1 4.44Å; Y2266-Y2396 HydrophobicContact CD2-CD2 4.23Å; Y2266-Y2396 HydrophobicContact CD2-CE1 4.11Å; Y2266-Y2396 AromaticContact CD2-CE2 3.85Å; Y2266-Y2396 HydrophobicContact CD2-CE2 4.11Å; Y2266-Y2396 AromaticContact CD2-CZ 3.86Å; Y2266-Y2396 AromaticContact CE2-CD1 3.94Å; Y2266-Y2396 HydrophobicContact CE2-CD1 3.94Å; Y2266-Y2396 HydrophobicContact CE2-CD2 4.49Å; Y2266-Y2396 AromaticContact CE2-CE1 3.83Å; Y2266-Y2396 HydrophobicContact CE2-CE1 3.83Å; Y2266-Y2396 HydrophobicContact CE2-CE2 4.29Å; Y2266-Y2396 HydrophobicContact CE2-CG 4.37Å; Y2266-Y2396 AromaticContact CE2-CZ 3.8Å; Y2266-Y2396 VanDerWaalsContact CE2-OH 3.27Å; Y2266-Y2396 WeakPolarHBondContact CE2-OH 3.15Å | ||
| 2267 | K | 30.2 | Very low | 34.4 | Very low | 180.25 Ų | 180.25 | 115.1 Ų | 115.1 | 78% | 0.784 | 60% | 0.596 | S | S | * | * | trans | -88.5 | 82.5 | 160.3 | -160.9 | 178 | -174.6 | -178.7 | 0 | 108.3 | F2265 T2269 M2272 | F2265-K2267 PolarHBondContact O-N 3.2Å; K2267-T2269 PolarHBondContact O-N 3.2Å; K2267-M2272 HydrophobicContact CD-CE 4.48Å | ||
| 2268 | S | 30.8 | Very low | 33.1 | Very low | 59.5 Ų | 59.5 | 116 Ų | 116 | 42% | 0.416 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -104.5 | 106.6 | 178.4 | -115.5 | 0 | 0 | 0 | 0 | 110.8 | Y2266 C2270 N2370 Q2382 | Y2266-S2268 PolarHBondContact O-N 2.91Å; S2268-C2270 PolarHBondContact O-N 3.3Å; S2268-N2370 PolarHBondContact OG-OD1 2.87Å; S2268-Q2382 PolarHBondContact OG-OE1 2.99Å |
| 2269 | T | 30.1 | Very low | 32.1 | Very low | 82 Ų | 82 | 124.6 Ų | 124.6 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -81.2 | 28.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | K2267 T2271 M2272 M2366 | K2267-T2269 PolarHBondContact O-N 3.2Å; T2269-T2271 PolarHBondContact O-N 3.16Å; T2269-T2271 VanDerWaalsContact O-N 3.11Å; T2269-M2272 HydrophobicContact CG2-CG 3.9Å; T2269-M2366 HydrophobicContact CG2-CE 4.42Å |
| 2270 | C | 30 | Very low | 31 | Very low | 115.5 Ų | 115.5 | 127.2 Ų | 127.2 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | trans | -118.2 | 39.6 | 172.8 | -76.6 | 0 | 0 | 0 | 0 | 112.9 | S2268 | S2268-C2270 PolarHBondContact O-N 3.3Š| ||
| 2271 | T | 28.3 | Very low | 30.2 | Very low | 98.75 Ų | 98.75 | 129.4 Ų | 129.4 | 61% | 0.606 | 66% | 0.661 | S | S | * | * | trans | -121.7 | 67.5 | 176.2 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | T2269 T2273 | T2269-T2271 PolarHBondContact O-N 3.16Å; T2269-T2271 VanDerWaalsContact O-N 3.11Å; T2271-T2273 VanDerWaalsContact C-N 3.3Å; T2271-T2273 PolarHBondContact O-N 3.05Å | ||
| 2272 | M | 27.8 | Very low | 29.7 | Very low | 117.25 Ų | 117.25 | 133 Ų | 133 | 58% | 0.578 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -109.9 | 56 | 174.5 | -66.2 | -65.4 | 131.7 | 0 | 0 | 113.4 | K2267 T2269 S2274 N2354 M2366 | K2267-M2272 HydrophobicContact CD-CE 4.48Å; T2269-M2272 HydrophobicContact CG2-CG 3.9Å; M2272-S2274 VanDerWaalsContact C-N 3.33Å; M2272-N2354 PolarHBondContact O-ND2 3.44Å; M2272-N2354 VanDerWaalsContact O-ND2 3.15Å; M2272-M2366 HydrophobicContact CB-CE 4.34Å; M2272-M2366 HydrophobicContact CE-SD 3.8Å; M2272-M2366 HydrophobicContact CG-CE 3.73Å; M2272-M2366 HydrophobicContact CG-SD 3.76Å; M2272-M2366 HydrophobicContact SD-CE 3.69Å; M2272-M2366 HydrophobicContact SD-SD 3.7Å |
| 2273 | T | 30 | Very low | 29.4 | Very low | 131.5 Ų | 131.5 | 130.8 Ų | 130.8 | 81% | 0.807 | 67% | 0.667 | S | S | * | * | trans | -132.2 | 75.4 | 157.3 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | T2271 | T2271-T2273 VanDerWaalsContact C-N 3.3Å; T2271-T2273 PolarHBondContact O-N 3.05Å | ||
| 2274 | S | 27.1 | Very low | 29.2 | Very low | 87.25 Ų | 87.25 | 136.2 Ų | 136.2 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | -163.1 | 113.9 | 169.2 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | M2272 Y2276 E2374 | M2272-S2274 VanDerWaalsContact C-N 3.33Å; S2274-Y2276 VanDerWaalsContact C-N 3.31Å; S2274-Y2276 PolarHBondContact O-N 2.84Å; S2274-Y2276 PolarHBondContact OG-N 3.32Å; S2274-Y2276 PolarHBondContact OG-O 3.05Å; S2274-E2374 PolarHBondContact OG-OE1 2.79Å | ||
| 2275 | R | 27.9 | Very low | 29.2 | Very low | 211 Ų | 211 | 137 Ų | 137 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | trans | -108.2 | 68.6 | 165.6 | -77.4 | -170.1 | -167.2 | -179.6 | 4.6 | 110.2 | ||||
| 2276 | Y | 29.9 | Very low | 29.4 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 66% | 0.659 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -173.9 | 128.5 | 165.9 | -82.1 | -81.1 | 0 | 0 | 0 | 110.1 | S2274 D2278 I2385 | S2274-Y2276 VanDerWaalsContact C-N 3.31Å; S2274-Y2276 PolarHBondContact O-N 2.84Å; S2274-Y2276 PolarHBondContact OG-N 3.32Å; S2274-Y2276 PolarHBondContact OG-O 3.05Å; Y2276-D2278 PolarHBondContact O-N 3.06Å; Y2276-D2278 VanDerWaalsContact O-N 3.15Å; Y2276-I2385 HydrophobicContact CE1-CD1 4.44Å |
| 2277 | P | 31.2 | Very low | 29.5 | Very low | 108.25 Ų | 108.25 | 134.3 Ų | 134.3 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | trans | -87.2 | 127.1 | -165.2 | 30.9 | -26.2 | 0 | 0 | 0 | 109.9 | K2279 | P2277-K2279 PolarHBondContact O-N 3.02Š| ||
| 2278 | D | 27.2 | Very low | 29.9 | Very low | 126.25 Ų | 126.25 | 131.4 Ų | 131.4 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | trans | -41.3 | 126.3 | 170.3 | -71.3 | -37.2 | 0 | 0 | 0 | 113 | Y2276 E2280 R2368 | Y2276-D2278 PolarHBondContact O-N 3.06Å; Y2276-D2278 VanDerWaalsContact O-N 3.15Å; D2278-E2280 VanDerWaalsContact C-N 3.31Å; D2278-E2280 HydrophobicContact CB-CG 4.38Å; D2278-E2280 PolarHBondContact O-N 3.39Å; D2278-R2368 IonicContact OD2-CZ 3.49Å; D2278-R2368 IonicContact OD2-NH1 2.69Å; D2278-R2368 PolarHBondContact OD2-NH1 3.43Å; D2278-R2368 IonicContact OD2-NH2 3.71Å | ||
| 2279 | K | 28.7 | Very low | 30.5 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 83% | 0.826 | 70% | 0.696 | S | S | * | * | trans | -49.5 | 89.2 | 166.7 | -66.4 | 175.5 | 177 | 176.2 | 0 | 112.9 | P2277 H2281 | P2277-K2279 PolarHBondContact O-N 3.02Å; K2279-H2281 PolarHBondContact O-N 3.4Å | ||
| 2280 | E | 27 | Very low | 31 | Very low | 145.75 Ų | 145.75 | 132.6 Ų | 132.6 | 68% | 0.681 | 70% | 0.699 | S | S | * | * | trans | -106 | 98.7 | 157.8 | -69 | -177.2 | -176.1 | 0 | 0 | 113.6 | D2278 W2282 | D2278-E2280 VanDerWaalsContact C-N 3.31Å; D2278-E2280 HydrophobicContact CB-CG 4.38Å; D2278-E2280 PolarHBondContact O-N 3.39Å; E2280-W2282 VanDerWaalsContact O-CD1 3.25Å; E2280-W2282 PolarHBondContact O-N 3.1Å; E2280-W2282 VanDerWaalsContact O-N 3.16Å | ||
| 2281 | H | 26.9 | Very low | 31.7 | Very low | 169.75 Ų | 169.75 | 131.8 Ų | 131.8 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -70.6 | 68.6 | 173.1 | -74.4 | -75.7 | 0 | 0 | 0 | 114.6 | H2020 K2279 S2283 | H2020-H2281 PolarHBondContact CE1-O 2.85Å; K2279-H2281 PolarHBondContact O-N 3.4Å; H2281-S2283 VanDerWaalsContact C-N 3.28Å; H2281-S2283 PolarHBondContact O-N 3.29Å | ||
| 2282 | W | 27.9 | Very low | 32.5 | Very low | 211.75 Ų | 211.75 | 135.2 Ų | 135.2 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | trans | -83.3 | 103.9 | 166.6 | -70.2 | 91.7 | 0 | 0 | 0 | 110.9 | H2020 E2280 L2284 | H2020-W2282 AromaticContact CD2-CE3 3.22Å; H2020-W2282 AromaticContact CD2-CH2 3.38Å; H2020-W2282 WeakPolarHBondContact CD2-CH2 3.47Å; H2020-W2282 AromaticContact CD2-CZ3 2.87Å; H2020-W2282 WeakPolarHBondContact CD2-CZ3 3.36Å; H2020-W2282 AromaticContact CG-CZ3 3.92Å; H2020-W2282 AromaticContact ND1-CH2 4Å; H2020-W2282 AromaticContact NE2-CD2 3.38Å; H2020-W2282 AromaticContact NE2-CE2 3.97Å; H2020-W2282 AromaticContact NE2-CE3 2.93Å; H2020-W2282 AromaticContact NE2-CH2 3.72Å; H2020-W2282 AromaticContact NE2-CZ3 3.17Å; H2020-W2282 WeakPolarHBondContact NE2-CZ3 3.47Å; E2280-W2282 VanDerWaalsContact O-CD1 3.25Å; E2280-W2282 PolarHBondContact O-N 3.1Å; E2280-W2282 VanDerWaalsContact O-N 3.16Å; W2282-L2284 PolarHBondContact O-N 3Å | ||
| 2283 | S | 27.7 | Very low | 33.4 | Very low | 97.5 Ų | 97.5 | 136.1 Ų | 136.1 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -72.2 | 131.7 | 177.9 | 26.3 | 0 | 0 | 0 | 0 | 112 | H2281 L2285 | H2281-S2283 VanDerWaalsContact C-N 3.28Å; H2281-S2283 PolarHBondContact O-N 3.29Å; S2283-L2285 PolarHBondContact O-N 3.27Å | ||
| 2284 | L | 28.3 | Very low | 34.5 | Very low | 167.25 Ų | 167.25 | 131.6 Ų | 131.6 | 88% | 0.876 | 67% | 0.671 | S | S | * | * | trans | -46.7 | 116.9 | 177 | -77.6 | 146.3 | 0 | 0 | 0 | 112.9 | W2282 N2286 | W2282-L2284 PolarHBondContact O-N 3Å; L2284-N2286 PolarHBondContact O-N 3.28Å; L2284-N2286 VanDerWaalsContact O-N 3.13Å | ||
| 2285 | L | 33 | Very low | 35.8 | Very low | 128.75 Ų | 128.75 | 130.8 Ų | 130.8 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | trans | -96.1 | 78.3 | -179 | -119.6 | 145.7 | 0 | 0 | 0 | 110.8 | S2283 A2287 | S2283-L2285 PolarHBondContact O-N 3.27Å; L2285-A2287 HydrophobicContact CD2-CB 3.71Å; L2285-A2287 PolarHBondContact O-N 3.17Å | ||
| 2286 | N | 32.5 | Very low | 37.1 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 85% | 0.85 | 63% | 0.633 | S | S | * | * | trans | -86.4 | 33.5 | 165.8 | -79.2 | -7.9 | 0 | 0 | 0 | 112.1 | L2284 | L2284-N2286 PolarHBondContact O-N 3.28Å; L2284-N2286 VanDerWaalsContact O-N 3.13Å | ||
| 2287 | A | 37.9 | Very low | 38.4 | Very low | 64 Ų | 64 | 114.1 Ų | 114.1 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -85.5 | 132.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2285 I2289 | L2285-A2287 HydrophobicContact CD2-CB 3.71Å; L2285-A2287 PolarHBondContact O-N 3.17Å; A2287-I2289 PolarHBondContact O-N 3.27Å |
| 2288 | P | 38.2 | Very low | 39.8 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 79% | 0.786 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 132.7 | 178.4 | 25.3 | -32.3 | 0 | 0 | 0 | 110.6 | P2290 | P2288-P2290 WeakPolarHBondContact O-CD 3.39Š|
| 2289 | I | 42.6 | Very low | 41.4 | Very low | 81 Ų | 81 | 109.2 Ų | 109.2 | 42% | 0.415 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 122.1 | -179 | -54.6 | 164.4 | 0 | 0 | 0 | 108.7 | L2260 A2287 S2291 L2294 | L2260-I2289 HydrophobicContact CD1-CD1 4.39Å; A2287-I2289 PolarHBondContact O-N 3.27Å; I2289-S2291 PolarHBondContact O-N 3.26Å; I2289-L2294 HydrophobicContact CB-CD1 4.34Å; I2289-L2294 HydrophobicContact CD1-CD2 4.37Å; I2289-L2294 HydrophobicContact CG2-CD1 3.96Å; I2289-L2294 VanDerWaalsContact CG2-CD1 3.5Å; I2289-L2294 HydrophobicContact CG2-CD2 4.02Å; I2289-L2294 HydrophobicContact CG2-CG 3.75Å |
| 2290 | P | 40.4 | Very low | 43.2 | Very low | 85 Ų | 85 | 100.3 Ų | 100.3 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 124.1 | 172.1 | -8.3 | 16.4 | 0 | 0 | 0 | 109.8 | P2288 E2292 R2293 | P2288-P2290 WeakPolarHBondContact O-CD 3.39Å; P2290-E2292 PolarHBondContact O-N 2.96Å; P2290-E2292 VanDerWaalsContact O-N 3.12Å; P2290-R2293 PolarHBondContact O-N 3.32Å; P2290-R2293 VanDerWaalsContact O-N 3.14Å |
| 2291 | S | 45.2 | Very low | 45.2 | Very low | 98.75 Ų | 98.75 | 94 Ų | 94 | 69% | 0.691 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -52.2 | -34.3 | -173.4 | 0.9 | 0 | 0 | 0 | 0 | 113.7 | I2289 R2293 L2294 | I2289-S2291 PolarHBondContact O-N 3.26Å; S2291-R2293 VanDerWaalsContact C-N 3.31Å; S2291-R2293 PolarHBondContact O-N 3.09Å; S2291-L2294 WeakPolarHBondContact O-CB 3.16Å; S2291-L2294 PolarHBondContact O-N 3.1Å |
| 2292 | E | 44.9 | Very low | 47.3 | Very low | 170.75 Ų | 170.75 | 88.6 Ų | 88.6 | 80% | 0.798 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -69.8 | -18.5 | -175.9 | -65.3 | 172.8 | 176.3 | 0 | 0 | 114.2 | P2290 | P2290-E2292 PolarHBondContact O-N 2.96Å; P2290-E2292 VanDerWaalsContact O-N 3.12Å |
| 2293 | R | 46.2 | Very low | 49.5 | Very low | 135.75 Ų | 135.75 | 79.4 Ų | 79.4 | 51% | 0.512 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -103.8 | 7.8 | -179 | -64.5 | -167.9 | 179.7 | -171.8 | -0.7 | 114.3 | R2019 P2290 S2291 | R2019-R2293 PolarHBondContact NH2-O 3.24Å; R2019-R2293 VanDerWaalsContact NH2-O 3.14Å; P2290-R2293 PolarHBondContact O-N 3.32Å; P2290-R2293 VanDerWaalsContact O-N 3.14Å; S2291-R2293 VanDerWaalsContact C-N 3.31Å; S2291-R2293 PolarHBondContact O-N 3.09Å |
| 2294 | L | 53.4 | Low | 51.6 | Low | 37.5 Ų | 37.5 | 77.9 Ų | 77.9 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | trans | -81.7 | -26.7 | 177 | -84.5 | 158.8 | 0 | 0 | 0 | 113.2 | F2257 I2289 S2291 P2296 L2297 I2298 | F2257-L2294 HydrophobicContact CE1-CD2 4.26Å; F2257-L2294 HydrophobicContact CE2-CD2 3.96Å; F2257-L2294 HydrophobicContact CZ-CD2 3.84Å; I2289-L2294 HydrophobicContact CB-CD1 4.34Å; I2289-L2294 HydrophobicContact CD1-CD2 4.37Å; I2289-L2294 HydrophobicContact CG2-CD1 3.96Å; I2289-L2294 VanDerWaalsContact CG2-CD1 3.5Å; I2289-L2294 HydrophobicContact CG2-CD2 4.02Å; I2289-L2294 HydrophobicContact CG2-CG 3.75Å; S2291-L2294 WeakPolarHBondContact O-CB 3.16Å; S2291-L2294 PolarHBondContact O-N 3.1Å; L2294-P2296 VanDerWaalsContact C-CD 3.41Å; L2294-L2297 PolarHBondContact O-N 3.1Å; L2294-L2297 VanDerWaalsContact O-N 3.08Å; L2294-I2298 HydrophobicContact CB-CD1 3.81Å; L2294-I2298 HydrophobicContact CB-CG1 4.34Å; L2294-I2298 HydrophobicContact CD2-CD1 4.39Å; L2294-I2298 HydrophobicContact CD2-CG1 4.47Å; L2294-I2298 WeakPolarHBondContact O-CG1 3.4Å; L2294-I2298 PolarHBondContact O-N 3.21Å | ||
| 2295 | S | 54.5 | Low | 53.9 | Low | 69.5 Ų | 69.5 | 72.4 Ų | 72.4 | 49% | 0.486 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -48.7 | -48.5 | -174.2 | -56.3 | 0 | 0 | 0 | 0 | 115.2 | L2297 I2298 S2299 | S2295-L2297 VanDerWaalsContact C-N 3.33Å; S2295-L2297 PolarHBondContact O-N 2.84Å; S2295-I2298 PolarHBondContact O-N 3.14Å; S2295-S2299 VanDerWaalsContact O-CB 3.27Å; S2295-S2299 WeakPolarHBondContact O-CB 3.4Å; S2295-S2299 PolarHBondContact O-N 3.11Å |
| 2296 | P | 55 | Low | 56.1 | Low | 18 Ų | 18 | 66.3 Ų | 66.3 | 12% | 0.117 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.7 | -26.8 | -179.6 | 17.2 | -20.4 | 0 | 0 | 0 | 113.9 | D2015 L2294 S2299 L2300 | D2015-P2296 HydrophobicContact CB-CB 4.38Å; D2015-P2296 HydrophobicContact CB-CG 4.24Å; D2015-P2296 VanDerWaalsContact OD2-CB 3.3Å; D2015-P2296 WeakPolarHBondContact OD2-CB 3.34Å; D2015-P2296 VanDerWaalsContact OD2-CG 3.25Å; D2015-P2296 WeakPolarHBondContact OD2-CG 3.34Å; L2294-P2296 VanDerWaalsContact C-CD 3.41Å; P2296-S2299 WeakPolarHBondContact CA-OG 3.23Å; P2296-S2299 WeakPolarHBondContact O-CB 3.41Å; P2296-S2299 PolarHBondContact O-N 2.89Å; P2296-S2299 PolarHBondContact O-OG 3.17Å; P2296-L2300 WeakPolarHBondContact O-CD1 3.24Å; P2296-L2300 PolarHBondContact O-N 3.17Å; P2296-L2300 VanDerWaalsContact O-N 3.15Å |
| 2297 | L | 57.1 | Low | 58.5 | Low | 11.25 Ų | 11.25 | 58.8 Ų | 58.8 | 6% | 0.059 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -80.8 | -34.6 | 174.7 | -68.6 | 176.8 | 0 | 0 | 0 | 112.2 | I2016 R2019 P2256 F2257 L2294 S2295 S2299 L2300 | I2016-L2297 HydrophobicContact CD1-CD2 4.18Å; I2016-L2297 HydrophobicContact CG1-CD2 4.24Å; R2019-L2297 VanDerWaalsContact NH1-CD1 3.3Å; R2019-L2297 VanDerWaalsContact NH2-CD1 3.33Å; P2256-L2297 HydrophobicContact CG-CD1 3.58Å; F2257-L2297 HydrophobicContact CD2-CB 4.33Å; F2257-L2297 HydrophobicContact CD2-CD1 4.46Å; F2257-L2297 HydrophobicContact CE2-CB 3.92Å; F2257-L2297 HydrophobicContact CE2-CD1 4.13Å; L2294-L2297 PolarHBondContact O-N 3.1Å; L2294-L2297 VanDerWaalsContact O-N 3.08Å; S2295-L2297 VanDerWaalsContact C-N 3.33Å; S2295-L2297 PolarHBondContact O-N 2.84Å; L2297-S2299 VanDerWaalsContact C-N 3.28Å; L2297-S2299 PolarHBondContact O-N 3.29Å; L2297-L2300 WeakPolarHBondContact O-CB 3.46Å; L2297-L2300 PolarHBondContact O-N 3.15Å |
| 2298 | I | 61.3 | Low | 60.5 | Low | 108.25 Ų | 108.25 | 56.8 Ų | 56.8 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | 172.3 | -65.2 | 168.7 | 0 | 0 | 0 | 109.7 | L2294 S2295 L2300 G2301 | L2294-I2298 HydrophobicContact CB-CD1 3.81Å; L2294-I2298 HydrophobicContact CB-CG1 4.34Å; L2294-I2298 HydrophobicContact CD2-CD1 4.39Å; L2294-I2298 HydrophobicContact CD2-CG1 4.47Å; L2294-I2298 WeakPolarHBondContact O-CG1 3.4Å; L2294-I2298 PolarHBondContact O-N 3.21Å; S2295-I2298 PolarHBondContact O-N 3.14Å; I2298-L2300 VanDerWaalsContact C-N 3.27Å; I2298-L2300 PolarHBondContact O-N 3.21Å; I2298-G2301 PolarHBondContact O-N 3.13Å |
| 2299 | S | 61.1 | Low | 62.4 | Low | 22.75 Ų | 22.75 | 51.2 Ų | 51.2 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.7 | -24.8 | 179.9 | 84.2 | 0 | 0 | 0 | 0 | 114.1 | L2038 S2295 P2296 L2297 G2301 | L2038-S2299 VanDerWaalsContact CD2-CB 3.46Å; S2295-S2299 VanDerWaalsContact O-CB 3.27Å; S2295-S2299 WeakPolarHBondContact O-CB 3.4Å; S2295-S2299 PolarHBondContact O-N 3.11Å; P2296-S2299 WeakPolarHBondContact CA-OG 3.23Å; P2296-S2299 WeakPolarHBondContact O-CB 3.41Å; P2296-S2299 PolarHBondContact O-N 2.89Å; P2296-S2299 PolarHBondContact O-OG 3.17Å; L2297-S2299 VanDerWaalsContact C-N 3.28Å; L2297-S2299 PolarHBondContact O-N 3.29Å; S2299-G2301 PolarHBondContact O-N 3.21Å |
| 2300 | L | 66.2 | Low | 64.4 | Low | 3.75 Ų | 3.75 | 47.4 Ų | 47.4 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.1 | 173.2 | -130.6 | 77.6 | 0 | 0 | 0 | 112.3 | L2008 A2012 T2043 L2248 T2251 L2252 P2296 L2297 I2298 V2306 | L2008-L2300 HydrophobicContact CD2-CD1 3.4Å; L2008-L2300 VanDerWaalsContact CD2-CD1 3.47Å; L2008-L2300 HydrophobicContact CD2-CG 3.86Å; L2008-L2300 HydrophobicContact CG-CD1 4.49Å; A2012-L2300 HydrophobicContact CB-CD1 3.8Å; T2043-L2300 WeakPolarHBondContact CB-O 3.39Å; T2043-L2300 HydrophobicContact CG2-CD1 4.35Å; T2043-L2300 WeakPolarHBondContact CG2-O 3.36Å; T2043-L2300 VanDerWaalsContact OG1-C 3.31Å; T2043-L2300 PolarHBondContact OG1-O 3.16Å; L2248-L2300 HydrophobicContact CD1-CD1 3.65Å; L2248-L2300 HydrophobicContact CD1-CD2 3.94Å; L2248-L2300 HydrophobicContact CD1-CG 4.24Å; T2251-L2300 HydrophobicContact CG2-CD2 3.98Å; L2252-L2300 HydrophobicContact CD2-CB 4.37Å; L2252-L2300 HydrophobicContact CD2-CD2 3.6Å; L2252-L2300 VanDerWaalsContact CD2-CD2 3.46Å; L2252-L2300 HydrophobicContact CD2-CG 3.87Å; L2252-L2300 HydrophobicContact CG-CD2 4.06Å; L2252-L2300 HydrophobicContact CG-CG 4.48Å; P2296-L2300 WeakPolarHBondContact O-CD1 3.24Å; P2296-L2300 PolarHBondContact O-N 3.17Å; P2296-L2300 VanDerWaalsContact O-N 3.15Å; L2297-L2300 WeakPolarHBondContact O-CB 3.46Å; L2297-L2300 PolarHBondContact O-N 3.15Å; I2298-L2300 VanDerWaalsContact C-N 3.27Å; I2298-L2300 PolarHBondContact O-N 3.21Å; L2300-V2306 VanDerWaalsContact O-CG2 3.26Å; L2300-V2306 WeakPolarHBondContact O-CG2 3.39Å |
| 2301 | G | 68.3 | Low | 66.5 | Low | 13.75 Ų | 13.75 | 46.8 Ų | 46.8 | 14% | 0.142 | 26% | 0.262 | C | S | . | . | trans | 81.4 | 170.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | I2298 S2299 A2303 | I2298-G2301 PolarHBondContact O-N 3.13Å; S2299-G2301 PolarHBondContact O-N 3.21Å; G2301-A2303 PolarHBondContact O-N 3.01Å | ||
| 2302 | S | 71.5 | Confident | 68.1 | Low | 55.25 Ų | 55.25 | 46.9 Ų | 46.9 | 39% | 0.386 | 25% | 0.247 | S | C | . | . | trans | -65.6 | 124.7 | 177.3 | 119.7 | 0 | 0 | 0 | 0 | 111 | T2304 L2305 V2306 | S2302-T2304 PolarHBondContact O-N 3.03Å; S2302-T2304 PolarHBondContact OG-OG1 3.19Å; S2302-L2305 PolarHBondContact O-N 3.28Å; S2302-L2305 VanDerWaalsContact OG-CB 3.28Å; S2302-L2305 WeakPolarHBondContact OG-CB 3.33Å; S2302-L2305 VanDerWaalsContact OG-CD1 3.23Å; S2302-L2305 WeakPolarHBondContact OG-CD1 3.38Å; S2302-L2305 VanDerWaalsContact OG-CG 3.28Å; S2302-L2305 WeakPolarHBondContact OG-CG 3.44Å; S2302-V2306 WeakPolarHBondContact O-CG2 3.35Å; S2302-V2306 PolarHBondContact O-N 3.36Å | ||
| 2303 | A | 73.8 | Confident | 70 | Confident | 18.75 Ų | 18.75 | 38.8 Ų | 38.8 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.7 | -31 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L2252 G2301 R2307 | L2252-A2303 HydrophobicContact CD2-CB 3.98Å; G2301-A2303 PolarHBondContact O-N 3.01Å; A2303-R2307 VanDerWaalsContact O-CB 3.26Å; A2303-R2307 WeakPolarHBondContact O-CB 3.37Å; A2303-R2307 WeakPolarHBondContact O-CD 3.41Å; A2303-R2307 WeakPolarHBondContact O-CG 3.25Å; A2303-R2307 PolarHBondContact O-N 3.04Å; A2303-R2307 VanDerWaalsContact O-N 3.09Å |
| 2304 | T | 73.1 | Confident | 71.9 | Confident | 66 Ų | 66 | 32.6 Ų | 32.6 | 41% | 0.405 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 176.8 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | S2302 G2308 Y2401 | S2302-T2304 PolarHBondContact O-N 3.03Å; S2302-T2304 PolarHBondContact OG-OG1 3.19Å; T2304-G2308 PolarHBondContact O-N 3Å; T2304-G2308 VanDerWaalsContact O-N 3.13Å; T2304-Y2401 WeakPolarHBondContact CA-OH 3.4Å; T2304-Y2401 PolarHBondContact O-OH 3.42Å |
| 2305 | L | 75.6 | Confident | 73.3 | Confident | 52.5 Ų | 52.5 | 35.7 Ų | 35.7 | 28% | 0.275 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.7 | -42.7 | 178.5 | -66.1 | -179.8 | 0 | 0 | 0 | 111.2 | L2044 V2093 L2096 S2302 G2308 A2309 | L2044-L2305 HydrophobicContact CD1-CB 4.18Å; L2044-L2305 HydrophobicContact CD1-CD1 4.32Å; L2044-L2305 HydrophobicContact CD2-CB 4.34Å; V2093-L2305 HydrophobicContact CG2-CB 4.34Å; V2093-L2305 HydrophobicContact CG2-CD2 4.02Å; L2096-L2305 HydrophobicContact CD1-CD1 3.8Å; L2096-L2305 HydrophobicContact CD1-CD2 4.35Å; S2302-L2305 PolarHBondContact O-N 3.28Å; S2302-L2305 VanDerWaalsContact OG-CB 3.28Å; S2302-L2305 WeakPolarHBondContact OG-CB 3.33Å; S2302-L2305 VanDerWaalsContact OG-CD1 3.23Å; S2302-L2305 WeakPolarHBondContact OG-CD1 3.38Å; S2302-L2305 VanDerWaalsContact OG-CG 3.28Å; S2302-L2305 WeakPolarHBondContact OG-CG 3.44Å; L2305-G2308 CarbonylContact O-C 3.54Å; L2305-G2308 WeakPolarHBondContact O-CA 3.44Å; L2305-G2308 PolarHBondContact O-N 3.05Å; L2305-A2309 WeakPolarHBondContact O-CB 3.24Å; L2305-A2309 PolarHBondContact O-N 3.05Å |
| 2306 | V | 80.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -47.2 | -179.7 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | L2044 L2047 L2248 L2252 L2300 S2302 G2308 A2309 I2310 | L2044-V2306 HydrophobicContact CD2-CB 4.36Å; L2044-V2306 HydrophobicContact CD2-CG2 3.87Å; L2044-V2306 HydrophobicContact CG-CG2 4.39Å; L2047-V2306 HydrophobicContact CD1-CG1 3.79Å; L2248-V2306 HydrophobicContact CD2-CG1 3.89Å; L2248-V2306 HydrophobicContact CG-CG1 4.39Å; L2252-V2306 HydrophobicContact CD1-CB 4Å; L2252-V2306 HydrophobicContact CD1-CG1 3.66Å; L2300-V2306 VanDerWaalsContact O-CG2 3.26Å; L2300-V2306 WeakPolarHBondContact O-CG2 3.39Å; S2302-V2306 WeakPolarHBondContact O-CG2 3.35Å; S2302-V2306 PolarHBondContact O-N 3.36Å; V2306-G2308 VanDerWaalsContact C-N 3.27Å; V2306-G2308 PolarHBondContact O-N 3.18Å; V2306-A2309 PolarHBondContact O-N 3.13Å; V2306-A2309 VanDerWaalsContact O-N 3.14Å; V2306-I2310 HydrophobicContact CG1-CD1 4.09Å; V2306-I2310 VanDerWaalsContact O-CG1 3.31Å; V2306-I2310 WeakPolarHBondContact O-CG1 3.33Å; V2306-I2310 PolarHBondContact O-N 3.14Å |
| 2307 | R | 82.5 | Confident | 75.7 | Confident | 0.75 Ų | 0.75 | 32.9 Ų | 32.9 | 0% | 0.003 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -37.2 | 173.2 | -68.8 | 178.8 | -176.4 | 133.8 | -5.7 | 111.7 | W2249 L2252 N2253 C2258 A2303 R2311 T2395 D2397 Y2401 | W2249-R2307 HydrophobicContact CD2-CG 4.42Å; W2249-R2307 HydrophobicContact CE3-CB 4.4Å; W2249-R2307 HydrophobicContact CE3-CG 3.89Å; W2249-R2307 HydrophobicContact CH2-CB 3.9Å; W2249-R2307 HydrophobicContact CH2-CG 3.77Å; W2249-R2307 HydrophobicContact CZ2-CG 4.4Å; W2249-R2307 HydrophobicContact CZ3-CB 3.6Å; W2249-R2307 HydrophobicContact CZ3-CG 3.5Å; W2249-R2307 VanDerWaalsContact CZ3-CG 3.48Å; L2252-R2307 HydrophobicContact CD1-CG 4.27Å; N2253-R2307 PolarHBondContact OD1-NE 2.77Å; N2253-R2307 PolarHBondContact OD1-NH2 3.1Å; C2258-R2307 PolarHBondContact SG-NH2 3.38Å; C2258-R2307 VanDerWaalsContact SG-NH2 3.38Å; A2303-R2307 VanDerWaalsContact O-CB 3.26Å; A2303-R2307 WeakPolarHBondContact O-CB 3.37Å; A2303-R2307 WeakPolarHBondContact O-CD 3.41Å; A2303-R2307 WeakPolarHBondContact O-CG 3.25Å; A2303-R2307 PolarHBondContact O-N 3.04Å; A2303-R2307 VanDerWaalsContact O-N 3.09Å; R2307-R2311 WeakPolarHBondContact O-CB 2.91Å; R2307-R2311 WeakPolarHBondContact O-CG 3.43Å; R2307-R2311 PolarHBondContact O-N 3.25Å; R2307-R2311 VanDerWaalsContact O-N 3.08Å; R2307-T2395 VanDerWaalsContact CD-CG2 3.48Å; R2307-D2397 IonicContact CZ-OD2 3.48Å; R2307-D2397 IonicContact NH1-OD2 3.07Å; R2307-D2397 PolarHBondContact NH1-OD2 3.28Å; R2307-D2397 IonicContact NH2-OD2 3.38Å; R2307-D2397 PolarHBondContact NH2-OD2 3.35Å; R2307-Y2401 HydrophobicContact CB-CE1 4.04Å; R2307-Y2401 HydrophobicContact CB-CE2 4.25Å; R2307-Y2401 VanDerWaalsContact CD-CE2 3.48Å |
| 2308 | G | 79.1 | Confident | 76.9 | Confident | 21.5 Ų | 21.5 | 32.5 Ų | 32.5 | 22% | 0.222 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T2304 L2305 V2306 R2311 R2312 | T2304-G2308 PolarHBondContact O-N 3Å; T2304-G2308 VanDerWaalsContact O-N 3.13Å; L2305-G2308 CarbonylContact O-C 3.54Å; L2305-G2308 WeakPolarHBondContact O-CA 3.44Å; L2305-G2308 PolarHBondContact O-N 3.05Å; V2306-G2308 VanDerWaalsContact C-N 3.27Å; V2306-G2308 PolarHBondContact O-N 3.18Å; G2308-R2311 PolarHBondContact O-N 3.17Å; G2308-R2312 WeakPolarHBondContact O-CB 3.42Å; G2308-R2312 WeakPolarHBondContact O-CG 3.4Å; G2308-R2312 PolarHBondContact O-N 2.94Å |
| 2309 | A | 79.3 | Confident | 77.7 | Confident | 4.25 Ų | 4.25 | 30.9 Ų | 30.9 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -46.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2044 L2047 V2093 L2305 V2306 R2311 R2312 L2313 | L2044-A2309 HydrophobicContact CD2-CB 3.97Å; L2047-A2309 HydrophobicContact CB-CB 4.35Å; L2047-A2309 HydrophobicContact CD1-CB 4.1Å; V2093-A2309 HydrophobicContact CG1-CB 4.36Å; V2093-A2309 HydrophobicContact CG2-CB 4.31Å; L2305-A2309 WeakPolarHBondContact O-CB 3.24Å; L2305-A2309 PolarHBondContact O-N 3.05Å; V2306-A2309 PolarHBondContact O-N 3.13Å; V2306-A2309 VanDerWaalsContact O-N 3.14Å; A2309-R2311 VanDerWaalsContact C-N 3.26Å; A2309-R2311 PolarHBondContact O-N 3.27Å; A2309-R2312 WeakPolarHBondContact O-CB 3.45Å; A2309-R2312 PolarHBondContact O-N 3.41Å; A2309-R2312 VanDerWaalsContact O-N 3.1Å; A2309-L2313 PolarHBondContact O-N 3.04Å |
| 2310 | I | 84.5 | Confident | 78.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.8 | -43.1 | 174 | -68.3 | 167.5 | 0 | 0 | 0 | 110.8 | L2047 I2245 L2248 W2249 V2306 L2313 L2314 L2390 | L2047-I2310 HydrophobicContact CD1-CD1 4.42Å; L2047-I2310 HydrophobicContact CD1-CG1 3.85Å; L2047-I2310 HydrophobicContact CD2-CG1 4.08Å; I2245-I2310 HydrophobicContact CG2-CB 4.4Å; I2245-I2310 HydrophobicContact CG2-CD1 4.13Å; I2245-I2310 HydrophobicContact CG2-CG1 4.04Å; I2245-I2310 HydrophobicContact CG2-CG2 3.51Å; I2245-I2310 VanDerWaalsContact CG2-CG2 3.49Å; L2248-I2310 HydrophobicContact CD2-CD1 4.04Å; L2248-I2310 HydrophobicContact CG-CD1 4.4Å; W2249-I2310 HydrophobicContact CE3-CB 4.45Å; W2249-I2310 HydrophobicContact CE3-CD1 3.99Å; W2249-I2310 HydrophobicContact CE3-CG2 4.26Å; W2249-I2310 HydrophobicContact CZ3-CB 4.48Å; W2249-I2310 HydrophobicContact CZ3-CG2 4.31Å; V2306-I2310 HydrophobicContact CG1-CD1 4.09Å; V2306-I2310 VanDerWaalsContact O-CG1 3.31Å; V2306-I2310 WeakPolarHBondContact O-CG1 3.33Å; V2306-I2310 PolarHBondContact O-N 3.14Å; I2310-L2313 WeakPolarHBondContact O-CB 3.36Å; I2310-L2313 PolarHBondContact O-N 3.02Å; I2310-L2314 HydrophobicContact CG2-CD1 3.98Å; I2310-L2314 PolarHBondContact O-N 3.21Å; I2310-L2390 HydrophobicContact CG2-CD1 3.68Å |
| 2311 | R | 82.6 | Confident | 79.1 | Confident | 73.25 Ų | 73.25 | 34.3 Ų | 34.3 | 28% | 0.276 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.4 | -36.9 | 178.2 | -139.7 | -174 | -172.6 | -173.9 | 11.7 | 112.9 | R2307 G2308 A2309 L2313 L2314 K2315 Y2401 G2402 P2403 | R2307-R2311 WeakPolarHBondContact O-CB 2.91Å; R2307-R2311 WeakPolarHBondContact O-CG 3.43Å; R2307-R2311 PolarHBondContact O-N 3.25Å; R2307-R2311 VanDerWaalsContact O-N 3.08Å; G2308-R2311 PolarHBondContact O-N 3.17Å; A2309-R2311 VanDerWaalsContact C-N 3.26Å; A2309-R2311 PolarHBondContact O-N 3.27Å; R2311-L2313 VanDerWaalsContact C-N 3.28Å; R2311-L2313 PolarHBondContact O-N 3.02Å; R2311-L2314 PolarHBondContact O-N 3.14Å; R2311-K2315 HydrophobicContact CG-CB 4.45Å; R2311-K2315 WeakPolarHBondContact O-CB 3.44Å; R2311-K2315 PolarHBondContact O-N 3.11Å; R2311-Y2401 VanDerWaalsContact CZ-C 3.44Å; R2311-Y2401 VanDerWaalsContact CZ-CB 3.48Å; R2311-Y2401 VanDerWaalsContact NH1-C 3.27Å; R2311-Y2401 VanDerWaalsContact NH1-CB 3.33Å; R2311-Y2401 PolarHBondContact NH1-O 3.17Å; R2311-Y2401 PolarHBondContact NH2-O 3.07Å; R2311-G2402 VanDerWaalsContact NH2-C 3.34Å; R2311-G2402 PolarHBondContact NH2-O 3.02Å; R2311-G2402 VanDerWaalsContact NH2-O 3.17Å; R2311-P2403 PolarHBondContact NH2-O 3.06Å |
| 2312 | R | 80.6 | Confident | 79.7 | Confident | 99.75 Ų | 99.75 | 34.5 Ų | 34.5 | 38% | 0.376 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.4 | -32.3 | 173.9 | -93.5 | 178.3 | -176 | 130 | -4.6 | 112.1 | H2055 V2093 I2103 G2308 A2309 P2316 | H2055-R2312 PolarHBondContact CE1-O 3.03Å; V2093-R2312 VanDerWaalsContact CG2-NH1 3.29Å; I2103-R2312 HydrophobicContact CD1-CG 4.35Å; G2308-R2312 WeakPolarHBondContact O-CB 3.42Å; G2308-R2312 WeakPolarHBondContact O-CG 3.4Å; G2308-R2312 PolarHBondContact O-N 2.94Å; A2309-R2312 WeakPolarHBondContact O-CB 3.45Å; A2309-R2312 PolarHBondContact O-N 3.41Å; A2309-R2312 VanDerWaalsContact O-N 3.1Å; R2312-P2316 WeakPolarHBondContact O-CD 3.31Å; R2312-P2316 WeakPolarHBondContact O-CG 3.37Å |
| 2313 | L | 83.8 | Confident | 80.1 | Confident | 1.75 Ų | 1.75 | 33.3 Ų | 33.3 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69 | -55.6 | 173.3 | -179.4 | 139.6 | 0 | 0 | 0 | 111.6 | L2047 I2050 Q2051 C2054 H2055 I2245 A2309 I2310 R2311 I2317 | L2047-L2313 HydrophobicContact CD2-CD1 4.38Å; I2050-L2313 HydrophobicContact CB-CD1 4Å; I2050-L2313 HydrophobicContact CG2-CD1 3.89Å; I2050-L2313 HydrophobicContact CG2-CD2 4.03Å; Q2051-L2313 VanDerWaalsContact CA-CD1 3.48Å; Q2051-L2313 HydrophobicContact CB-CB 4.27Å; Q2051-L2313 HydrophobicContact CB-CD1 4.01Å; Q2051-L2313 HydrophobicContact CB-CG 4.13Å; Q2051-L2313 HydrophobicContact CG-CB 4.32Å; Q2051-L2313 HydrophobicContact CG-CD1 4.24Å; Q2051-L2313 HydrophobicContact CG-CG 4.45Å; C2054-L2313 HydrophobicContact CB-CD1 4.09Å; H2055-L2313 PolarHBondContact NE2-O 2.96Å; I2245-L2313 HydrophobicContact CD1-CD1 4.21Å; I2245-L2313 HydrophobicContact CD1-CD2 3.95Å; I2245-L2313 VanDerWaalsContact CD1-CD2 3.45Å; A2309-L2313 PolarHBondContact O-N 3.04Å; I2310-L2313 WeakPolarHBondContact O-CB 3.36Å; I2310-L2313 PolarHBondContact O-N 3.02Å; R2311-L2313 VanDerWaalsContact C-N 3.28Å; R2311-L2313 PolarHBondContact O-N 3.02Å; L2313-I2317 HydrophobicContact CD1-CD1 4.3Å; L2313-I2317 HydrophobicContact CD2-CD1 4.37Å; L2313-I2317 WeakPolarHBondContact O-CD1 3.27Å; L2313-I2317 WeakPolarHBondContact O-CG1 3.21Å |
| 2314 | L | 85.7 | Confident | 80.5 | Confident | 4.25 Ų | 4.25 | 32.5 Ų | 32.5 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -80.4 | -34.1 | -169.8 | -67.1 | 174.5 | 0 | 0 | 0 | 114.2 | I2245 I2310 R2311 I2317 A2318 L2325 L2390 I2404 | I2245-L2314 HydrophobicContact CG2-CD1 4.31Å; I2310-L2314 HydrophobicContact CG2-CD1 3.98Å; I2310-L2314 PolarHBondContact O-N 3.21Å; R2311-L2314 PolarHBondContact O-N 3.14Å; L2314-I2317 PolarHBondContact O-N 3.11Å; L2314-A2318 VanDerWaalsContact O-CB 3.29Å; L2314-A2318 WeakPolarHBondContact O-CB 3.39Å; L2314-A2318 PolarHBondContact O-N 3.24Å; L2314-L2325 HydrophobicContact CD2-CD1 4.19Å; L2314-L2390 HydrophobicContact CD1-CD1 4.1Å; L2314-L2390 HydrophobicContact CD1-CD2 4.21Å; L2314-L2390 HydrophobicContact CD1-CG 4.3Å; L2314-I2404 HydrophobicContact CB-CD1 4.16Å; L2314-I2404 HydrophobicContact CB-CG2 4.24Å; L2314-I2404 HydrophobicContact CD1-CD1 3.72Å |
| 2315 | K | 82.8 | Confident | 81.1 | Confident | 104.25 Ų | 104.25 | 29.7 Ų | 29.7 | 45% | 0.453 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.2 | -46.2 | -173.5 | -173 | 179.7 | -179.1 | -176.3 | 0 | 113.3 | R2311 I2317 A2318 T2319 | R2311-K2315 HydrophobicContact CG-CB 4.45Å; R2311-K2315 WeakPolarHBondContact O-CB 3.44Å; R2311-K2315 PolarHBondContact O-N 3.11Å; K2315-I2317 VanDerWaalsContact C-N 3.33Å; K2315-I2317 PolarHBondContact O-N 3.16Å; K2315-A2318 WeakPolarHBondContact O-CB 3.25Å; K2315-A2318 PolarHBondContact O-N 3.17Å; K2315-T2319 WeakPolarHBondContact O-CG2 3.36Å; K2315-T2319 PolarHBondContact O-N 3.16Å; K2315-T2319 PolarHBondContact O-OG1 3.1Å; K2315-T2319 VanDerWaalsContact O-OG1 3.12Å |
| 2316 | P | 80.1 | Confident | 81.5 | Confident | 26 Ų | 26 | 27.5 Ų | 27.5 | 17% | 0.169 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.9 | -24.6 | 36.5 | 0 | 0 | 0 | 112.8 | L2059 L2068 R2312 T2319 Q2320 | L2059-P2316 HydrophobicContact CD1-CB 4.12Å; L2059-P2316 HydrophobicContact CD2-CB 4.09Å; L2068-P2316 HydrophobicContact CD2-CB 4.24Å; L2068-P2316 HydrophobicContact CD2-CG 4.32Å; R2312-P2316 WeakPolarHBondContact O-CD 3.31Å; R2312-P2316 WeakPolarHBondContact O-CG 3.37Å; P2316-T2319 WeakPolarHBondContact CA-OG1 3.4Å; P2316-T2319 PolarHBondContact O-N 2.95Å; P2316-T2319 PolarHBondContact O-OG1 3.26Å; P2316-Q2320 PolarHBondContact O-N 3.14Å; P2316-Q2320 VanDerWaalsContact O-N 3.09Å |
| 2317 | I | 81.1 | Confident | 81.6 | Confident | 1.5 Ų | 1.5 | 27.6 Ų | 27.6 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 177.4 | -58.1 | 173 | 0 | 0 | 0 | 109.8 | C2054 L2058 L2059 M2238 L2313 L2314 K2315 T2319 Q2320 H2321 L2324 | C2054-I2317 HydrophobicContact CB-CD1 4.01Å; L2058-I2317 HydrophobicContact CD1-CD1 4.35Å; L2058-I2317 HydrophobicContact CD1-CG2 4.41Å; L2059-I2317 HydrophobicContact CD2-CG1 4.39Å; M2238-I2317 HydrophobicContact CE-CD1 4.08Å; M2238-I2317 HydrophobicContact CE-CG2 4.31Å; L2313-I2317 HydrophobicContact CD1-CD1 4.3Å; L2313-I2317 HydrophobicContact CD2-CD1 4.37Å; L2313-I2317 WeakPolarHBondContact O-CD1 3.27Å; L2313-I2317 WeakPolarHBondContact O-CG1 3.21Å; L2314-I2317 PolarHBondContact O-N 3.11Å; K2315-I2317 VanDerWaalsContact C-N 3.33Å; K2315-I2317 PolarHBondContact O-N 3.16Å; I2317-T2319 VanDerWaalsContact C-N 3.29Å; I2317-T2319 PolarHBondContact O-N 3.23Å; I2317-Q2320 PolarHBondContact O-N 3.29Å; I2317-H2321 CarbonylContact O-C 3.58Å; I2317-H2321 WeakPolarHBondContact O-CA 3.39Å; I2317-H2321 PolarHBondContact O-N 3.27Å; I2317-L2324 HydrophobicContact CG2-CD2 4.15Å |
| 2318 | A | 81.6 | Confident | 81.6 | Confident | 3.5 Ų | 3.5 | 27.6 Ų | 27.6 | 3% | 0.029 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -33.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L2314 K2315 P2322 L2325 I2404 I2405 | L2314-A2318 VanDerWaalsContact O-CB 3.29Å; L2314-A2318 WeakPolarHBondContact O-CB 3.39Å; L2314-A2318 PolarHBondContact O-N 3.24Å; K2315-A2318 WeakPolarHBondContact O-CB 3.25Å; K2315-A2318 PolarHBondContact O-N 3.17Å; A2318-P2322 WeakPolarHBondContact O-CA 3.4Å; A2318-P2322 WeakPolarHBondContact O-CB 3.32Å; A2318-P2322 WeakPolarHBondContact O-CD 3.26Å; A2318-L2325 HydrophobicContact CB-CD2 3.69Å; A2318-I2404 HydrophobicContact CB-CG2 3.67Å; A2318-I2405 HydrophobicContact CB-CG1 4.25Å |
| 2319 | T | 78.3 | Confident | 81.8 | Confident | 74.25 Ų | 74.25 | 26.8 Ų | 26.8 | 46% | 0.456 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -77.5 | -33.9 | 178.6 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | L2067 K2315 P2316 I2317 | L2067-T2319 HydrophobicContact CD2-CG2 4.21Å; K2315-T2319 WeakPolarHBondContact O-CG2 3.36Å; K2315-T2319 PolarHBondContact O-N 3.16Å; K2315-T2319 PolarHBondContact O-OG1 3.1Å; K2315-T2319 VanDerWaalsContact O-OG1 3.12Å; P2316-T2319 WeakPolarHBondContact CA-OG1 3.4Å; P2316-T2319 PolarHBondContact O-N 2.95Å; P2316-T2319 PolarHBondContact O-OG1 3.26Å; I2317-T2319 VanDerWaalsContact C-N 3.29Å; I2317-T2319 PolarHBondContact O-N 3.23Å |
| 2320 | Q | 76.8 | Confident | 81.9 | Confident | 44.5 Ų | 44.5 | 26.5 Ų | 26.5 | 21% | 0.208 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -89.2 | -37.4 | -178.7 | -117.6 | -176.5 | -6.1 | 0 | 0 | 112.4 | L2058 L2059 S2060 P2316 I2317 | L2058-Q2320 PolarHBondContact O-NE2 3.05Å; L2059-Q2320 HydrophobicContact CD2-CB 4.41Å; L2059-Q2320 VanDerWaalsContact CD2-CD 3.43Å; L2059-Q2320 HydrophobicContact CD2-CG 4.21Å; L2059-Q2320 VanDerWaalsContact CD2-OE1 3.3Å; S2060-Q2320 VanDerWaalsContact N-OE1 3.11Å; P2316-Q2320 PolarHBondContact O-N 3.14Å; P2316-Q2320 VanDerWaalsContact O-N 3.09Å; I2317-Q2320 PolarHBondContact O-N 3.29Å |
| 2321 | H | 78.8 | Confident | 81.7 | Confident | 52.5 Ų | 52.5 | 27.7 Ų | 27.7 | 24% | 0.243 | 13% | 0.133 | C | C | . | . | trans | -135.2 | 71.2 | -176.9 | -63.1 | -59.6 | 0 | 0 | 0 | 110.7 | L2058 I2317 D2323 L2324 L2325 | L2058-H2321 PolarHBondContact O-CD2 3.2Å; L2058-H2321 PolarHBondContact O-NE2 3.2Å; I2317-H2321 CarbonylContact O-C 3.58Å; I2317-H2321 WeakPolarHBondContact O-CA 3.39Å; I2317-H2321 PolarHBondContact O-N 3.27Å; H2321-D2323 VanDerWaalsContact C-N 3.32Å; H2321-D2323 PolarHBondContact O-N 2.94Å; H2321-L2324 HydrophobicContact CB-CB 3.8Å; H2321-L2324 HydrophobicContact CB-CD2 4.29Å; H2321-L2324 WeakPolarHBondContact O-CB 3.41Å; H2321-L2324 PolarHBondContact O-N 3.25Å; H2321-L2325 PolarHBondContact O-N 3.2Å | ||
| 2322 | P | 81.4 | Confident | 81.5 | Confident | 18.25 Ų | 18.25 | 25.1 Ų | 25.1 | 12% | 0.119 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -38.5 | 178.7 | 23.9 | -33.8 | 0 | 0 | 0 | 112.9 | A2318 L2324 L2325 L2326 I2409 N2413 | A2318-P2322 WeakPolarHBondContact O-CA 3.4Å; A2318-P2322 WeakPolarHBondContact O-CB 3.32Å; A2318-P2322 WeakPolarHBondContact O-CD 3.26Å; P2322-L2324 VanDerWaalsContact C-N 3.28Å; P2322-L2324 PolarHBondContact O-N 3.11Å; P2322-L2325 PolarHBondContact O-N 3.16Å; P2322-L2325 VanDerWaalsContact O-N 3.15Å; P2322-L2326 PolarHBondContact O-N 3.29Å; P2322-I2409 HydrophobicContact CB-CG2 3.88Å; P2322-I2409 HydrophobicContact CG-CG2 4.09Å; P2322-N2413 HydrophobicContact CB-CB 4.35Å; P2322-N2413 WeakPolarHBondContact CB-ND2 3.43Å; P2322-N2413 HydrophobicContact CG-CB 4.29Å; P2322-N2413 VanDerWaalsContact CG-CG 3.43Å; P2322-N2413 WeakPolarHBondContact CG-ND2 3.25Å; P2322-N2413 WeakPolarHBondContact CG-OD1 3.36Å |
| 2323 | D | 81.1 | Confident | 81.5 | Confident | 31.25 Ų | 31.25 | 20.5 Ų | 20.5 | 17% | 0.167 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.4 | -40.6 | 175.6 | -63.1 | -25.5 | 0 | 0 | 0 | 112.3 | H2321 L2325 L2326 I2327 N2413 S2417 N2424 L2427 | H2321-D2323 VanDerWaalsContact C-N 3.32Å; H2321-D2323 PolarHBondContact O-N 2.94Å; D2323-L2325 PolarHBondContact O-N 3.16Å; D2323-L2326 PolarHBondContact O-N 3.14Å; D2323-I2327 WeakPolarHBondContact O-CB 3.39Å; D2323-I2327 WeakPolarHBondContact O-CG1 3.4Å; D2323-I2327 PolarHBondContact O-N 2.99Å; D2323-N2413 WeakPolarHBondContact OD1-CB 3.44Å; D2323-N2413 PolarHBondContact OD1-OD1 3.1Å; D2323-S2417 PolarHBondContact OD1-OG 2.92Å; D2323-N2424 PolarHBondContact OD2-ND2 3.37Å; D2323-L2427 HydrophobicContact CB-CD1 4.07Å |
| 2324 | L | 82.2 | Confident | 80.9 | Confident | 2.25 Ų | 2.25 | 21.8 Ų | 21.8 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 178.8 | 172.9 | 60.6 | 0 | 0 | 0 | 110.3 | L2058 L2235 M2238 I2317 H2321 P2322 T2328 L2427 I2430 | L2058-L2324 HydrophobicContact CD1-CD2 4.05Å; L2058-L2324 HydrophobicContact CD2-CD2 4.16Å; L2235-L2324 HydrophobicContact CD2-CD1 3.45Å; L2235-L2324 VanDerWaalsContact CD2-CD1 3.45Å; L2235-L2324 HydrophobicContact CD2-CD2 3.81Å; L2235-L2324 HydrophobicContact CD2-CG 4.3Å; M2238-L2324 HydrophobicContact CE-CD2 4.47Å; M2238-L2324 HydrophobicContact CE-CG 4.49Å; I2317-L2324 HydrophobicContact CG2-CD2 4.15Å; H2321-L2324 HydrophobicContact CB-CB 3.8Å; H2321-L2324 HydrophobicContact CB-CD2 4.29Å; H2321-L2324 WeakPolarHBondContact O-CB 3.41Å; H2321-L2324 PolarHBondContact O-N 3.25Å; P2322-L2324 VanDerWaalsContact C-N 3.28Å; P2322-L2324 PolarHBondContact O-N 3.11Å; L2324-T2328 HydrophobicContact CD1-CG2 3.69Å; L2324-T2328 HydrophobicContact CG-CG2 4.42Å; L2324-T2328 VanDerWaalsContact O-CB 3.27Å; L2324-T2328 WeakPolarHBondContact O-CB 3.34Å; L2324-T2328 WeakPolarHBondContact O-CG2 3.44Å; L2324-T2328 PolarHBondContact O-N 3.28Å; L2324-T2328 PolarHBondContact O-OG1 3.13Å; L2324-L2427 HydrophobicContact CB-CD2 4.15Å; L2324-L2427 HydrophobicContact CD1-CD2 3.58Å; L2324-L2427 VanDerWaalsContact CD1-CD2 3.49Å; L2324-L2427 HydrophobicContact CG-CD2 4.38Å; L2324-I2430 HydrophobicContact CD1-CD1 3.28Å |
| 2325 | L | 84.3 | Confident | 79.9 | Confident | 6 Ų | 6 | 23.4 Ų | 23.4 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 179.6 | -172.7 | 65.2 | 0 | 0 | 0 | 111.5 | I2242 L2314 A2318 H2321 P2322 D2323 T2328 T2329 I2404 I2405 | I2242-L2325 HydrophobicContact CD1-CD1 3.78Å; L2314-L2325 HydrophobicContact CD2-CD1 4.19Å; A2318-L2325 HydrophobicContact CB-CD2 3.69Å; H2321-L2325 PolarHBondContact O-N 3.2Å; P2322-L2325 PolarHBondContact O-N 3.16Å; P2322-L2325 VanDerWaalsContact O-N 3.15Å; D2323-L2325 PolarHBondContact O-N 3.16Å; L2325-T2328 WeakPolarHBondContact CA-OG1 3.38Å; L2325-T2328 PolarHBondContact O-OG1 3.2Å; L2325-T2328 VanDerWaalsContact O-OG1 3.06Å; L2325-T2329 HydrophobicContact CD1-CG2 4.1Å; L2325-T2329 HydrophobicContact CG-CG2 4.42Å; L2325-T2329 VanDerWaalsContact O-CB 3.31Å; L2325-T2329 WeakPolarHBondContact O-CB 3.33Å; L2325-T2329 VanDerWaalsContact O-CG2 3.22Å; L2325-T2329 WeakPolarHBondContact O-CG2 3.46Å; L2325-T2329 PolarHBondContact O-N 3.3Å; L2325-T2329 PolarHBondContact O-OG1 2.92Å; L2325-I2404 HydrophobicContact CD2-CG2 3.95Å; L2325-I2405 HydrophobicContact CD2-CD1 3.95Å; L2325-I2405 HydrophobicContact CD2-CG1 3.97Å; L2325-I2405 HydrophobicContact CG-CD1 4.41Å |
| 2326 | L | 84.5 | Confident | 78.8 | Confident | 6.5 Ų | 6.5 | 19.3 Ų | 19.3 | 3% | 0.034 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.6 | -47.9 | 179.4 | -123 | 119.9 | 0 | 0 | 0 | 112.1 | P2322 D2323 T2329 A2330 I2405 L2410 N2413 L2414 L2484 L2487 | P2322-L2326 PolarHBondContact O-N 3.29Å; D2323-L2326 PolarHBondContact O-N 3.14Å; L2326-T2329 WeakPolarHBondContact CA-OG1 3.41Å; L2326-T2329 PolarHBondContact O-N 2.95Å; L2326-T2329 PolarHBondContact O-OG1 3.09Å; L2326-A2330 WeakPolarHBondContact O-CB 3.26Å; L2326-A2330 PolarHBondContact O-N 3.3Å; L2326-I2405 HydrophobicContact CD2-CD1 4.17Å; L2326-I2405 HydrophobicContact CG-CD1 4.33Å; L2326-L2410 HydrophobicContact CD2-CG 4.25Å; L2326-N2413 HydrophobicContact CD1-CB 3.79Å; L2326-L2414 HydrophobicContact CD1-CB 4.39Å; L2326-L2414 VanDerWaalsContact CD2-CA 3.46Å; L2326-L2414 HydrophobicContact CD2-CB 3.75Å; L2326-L2414 HydrophobicContact CD2-CG 4.28Å; L2326-L2484 HydrophobicContact CB-CD2 4.07Å; L2326-L2484 HydrophobicContact CD1-CD2 4Å; L2326-L2484 HydrophobicContact CD2-CD2 3.92Å; L2326-L2484 HydrophobicContact CG-CD2 3.51Å; L2326-L2484 WeakPolarHBondContact O-CD2 3.49Å; L2326-L2487 HydrophobicContact CD1-CD2 4.38Å |
| 2327 | I | 82.7 | Confident | 77.7 | Confident | 2.75 Ų | 2.75 | 18.6 Ų | 18.6 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 178.5 | -70.5 | 175.2 | 0 | 0 | 0 | 110.5 | D2323 T2329 A2330 V2331 L2427 I2430 I2431 L2480 | D2323-I2327 WeakPolarHBondContact O-CB 3.39Å; D2323-I2327 WeakPolarHBondContact O-CG1 3.4Å; D2323-I2327 PolarHBondContact O-N 2.99Å; I2327-T2329 VanDerWaalsContact C-N 3.29Å; I2327-T2329 PolarHBondContact O-N 3.17Å; I2327-A2330 PolarHBondContact O-N 3.1Å; I2327-A2330 VanDerWaalsContact O-N 3.14Å; I2327-V2331 HydrophobicContact CG2-CG2 4.3Å; I2327-V2331 WeakPolarHBondContact O-CB 3.32Å; I2327-V2331 VanDerWaalsContact O-CG2 3.29Å; I2327-V2331 WeakPolarHBondContact O-CG2 3.42Å; I2327-V2331 PolarHBondContact O-N 3.22Å; I2327-L2427 HydrophobicContact CD1-CB 4.44Å; I2327-L2427 HydrophobicContact CD1-CD1 3.68Å; I2327-L2427 VanDerWaalsContact CD1-CD1 3.45Å; I2327-I2430 HydrophobicContact CG2-CG2 4.41Å; I2327-I2431 HydrophobicContact CG2-CG1 4.19Å; I2327-L2480 HydrophobicContact CD1-CD2 4.2Å; I2327-L2480 HydrophobicContact CG1-CD2 4.37Å; I2327-L2480 HydrophobicContact CG2-CD1 4.16Å; I2327-L2480 HydrophobicContact CG2-CD2 4.16Å |
| 2328 | T | 82 | Confident | 76.6 | Confident | 0.5 Ų | 0.5 | 20.1 Ų | 20.1 | 0% | 0.003 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | 179 | 33.8 | 0 | 0 | 0 | 0 | 112.4 | M2238 P2239 I2242 L2324 L2325 V2331 A2332 I2430 | M2238-T2328 HydrophobicContact CB-CG2 3.49Å; M2238-T2328 VanDerWaalsContact CB-CG2 3.43Å; M2238-T2328 HydrophobicContact CG-CG2 4.33Å; M2238-T2328 WeakPolarHBondContact O-CG2 3.27Å; P2239-T2328 HydrophobicContact CB-CG2 4.28Å; P2239-T2328 HydrophobicContact CG-CG2 4.15Å; P2239-T2328 VanDerWaalsContact N-CG2 3.3Å; I2242-T2328 HydrophobicContact CB-CG2 4.42Å; I2242-T2328 HydrophobicContact CD1-CG2 3.33Å; I2242-T2328 WeakPolarHBondContact CD1-OG1 3.35Å; I2242-T2328 HydrophobicContact CG1-CG2 3.9Å; L2324-T2328 HydrophobicContact CD1-CG2 3.69Å; L2324-T2328 HydrophobicContact CG-CG2 4.42Å; L2324-T2328 VanDerWaalsContact O-CB 3.27Å; L2324-T2328 WeakPolarHBondContact O-CB 3.34Å; L2324-T2328 WeakPolarHBondContact O-CG2 3.44Å; L2324-T2328 PolarHBondContact O-N 3.28Å; L2324-T2328 PolarHBondContact O-OG1 3.13Å; L2325-T2328 WeakPolarHBondContact CA-OG1 3.38Å; L2325-T2328 PolarHBondContact O-OG1 3.2Å; L2325-T2328 VanDerWaalsContact O-OG1 3.06Å; T2328-V2331 PolarHBondContact O-N 3.27Å; T2328-A2332 VanDerWaalsContact O-CB 3.29Å; T2328-A2332 WeakPolarHBondContact O-CB 3.37Å; T2328-A2332 PolarHBondContact O-N 3.19Å; T2328-I2430 HydrophobicContact CG2-CD1 3.64Å; T2328-I2430 HydrophobicContact CG2-CG2 3.79Å |
| 2329 | T | 83.5 | Confident | 75.3 | Confident | 3.5 Ų | 3.5 | 21.6 Ų | 21.6 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68 | -38 | 173.9 | 31.9 | 0 | 0 | 0 | 0 | 112.1 | I2242 L2325 L2326 I2327 V2331 A2332 W2333 L2387 I2391 L2487 | I2242-T2329 HydrophobicContact CD1-CG2 4.12Å; I2242-T2329 HydrophobicContact CG2-CG2 3.95Å; L2325-T2329 HydrophobicContact CD1-CG2 4.1Å; L2325-T2329 HydrophobicContact CG-CG2 4.42Å; L2325-T2329 VanDerWaalsContact O-CB 3.31Å; L2325-T2329 WeakPolarHBondContact O-CB 3.33Å; L2325-T2329 VanDerWaalsContact O-CG2 3.22Å; L2325-T2329 WeakPolarHBondContact O-CG2 3.46Å; L2325-T2329 PolarHBondContact O-N 3.3Å; L2325-T2329 PolarHBondContact O-OG1 2.92Å; L2326-T2329 WeakPolarHBondContact CA-OG1 3.41Å; L2326-T2329 PolarHBondContact O-N 2.95Å; L2326-T2329 PolarHBondContact O-OG1 3.09Å; I2327-T2329 VanDerWaalsContact C-N 3.29Å; I2327-T2329 PolarHBondContact O-N 3.17Å; T2329-V2331 VanDerWaalsContact C-N 3.29Å; T2329-V2331 PolarHBondContact O-N 2.95Å; T2329-A2332 CarbonylContact O-C 3.58Å; T2329-A2332 PolarHBondContact O-N 3.28Å; T2329-W2333 WeakPolarHBondContact O-CB 3.38Å; T2329-W2333 PolarHBondContact O-N 3.12Å; T2329-L2387 HydrophobicContact CG2-CB 4.4Å; T2329-L2387 HydrophobicContact CG2-CD2 4.18Å; T2329-I2391 HydrophobicContact CG2-CD1 3.43Å; T2329-I2391 HydrophobicContact CG2-CG1 4.03Å; T2329-L2487 HydrophobicContact CG2-CD2 4.21Å |
| 2330 | A | 82.4 | Confident | 74 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.6 | -28.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L2326 I2327 W2333 L2480 N2483 L2484 | L2326-A2330 WeakPolarHBondContact O-CB 3.26Å; L2326-A2330 PolarHBondContact O-N 3.3Å; I2327-A2330 PolarHBondContact O-N 3.1Å; I2327-A2330 VanDerWaalsContact O-N 3.14Å; A2330-W2333 VanDerWaalsContact O-CB 3.31Å; A2330-W2333 WeakPolarHBondContact O-CB 3.31Å; A2330-W2333 PolarHBondContact O-N 3.44Å; A2330-L2480 HydrophobicContact CB-CD1 3.68Å; A2330-N2483 HydrophobicContact CB-CB 4.23Å; A2330-N2483 WeakPolarHBondContact O-CB 3.5Å; A2330-N2483 PolarHBondContact O-ND2 3.04Å; A2330-L2484 HydrophobicContact CB-CB 4.46Å; A2330-L2484 HydrophobicContact CB-CD2 3.54Å; A2330-L2484 VanDerWaalsContact CB-CD2 3.47Å; A2330-L2484 HydrophobicContact CB-CG 3.64Å |
| 2331 | V | 79.4 | Confident | 72.7 | Confident | 24.25 Ų | 24.25 | 26.9 Ų | 26.9 | 15% | 0.147 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.3 | -40.3 | 171.3 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | P2239 I2327 T2328 T2329 W2333 I2430 T2433 I2434 L2480 | P2239-V2331 HydrophobicContact CB-CB 4.43Å; P2239-V2331 HydrophobicContact CB-CG1 3.99Å; P2239-V2331 HydrophobicContact CG-CB 4.18Å; P2239-V2331 HydrophobicContact CG-CG1 3.72Å; I2327-V2331 HydrophobicContact CG2-CG2 4.3Å; I2327-V2331 WeakPolarHBondContact O-CB 3.32Å; I2327-V2331 VanDerWaalsContact O-CG2 3.29Å; I2327-V2331 WeakPolarHBondContact O-CG2 3.42Å; I2327-V2331 PolarHBondContact O-N 3.22Å; T2328-V2331 PolarHBondContact O-N 3.27Å; T2329-V2331 VanDerWaalsContact C-N 3.29Å; T2329-V2331 PolarHBondContact O-N 2.95Å; V2331-W2333 PolarHBondContact O-N 3.18Å; V2331-I2430 HydrophobicContact CB-CG2 4.46Å; V2331-I2430 HydrophobicContact CG2-CG2 4.2Å; V2331-T2433 WeakPolarHBondContact CG1-OG1 3.44Å; V2331-I2434 HydrophobicContact CB-CG1 4.37Å; V2331-I2434 HydrophobicContact CG1-CG1 3.94Å; V2331-I2434 HydrophobicContact CG2-CD1 3.92Å; V2331-I2434 HydrophobicContact CG2-CG1 3.8Å; V2331-L2480 HydrophobicContact CG2-CD1 4.01Å |
| 2332 | A | 78.7 | Confident | 71.3 | Confident | 19.25 Ų | 19.25 | 27.5 Ų | 27.5 | 16% | 0.159 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.5 | -14.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | P2239 I2242 T2328 T2329 P2334 L2387 | P2239-A2332 HydrophobicContact CB-CB 4.25Å; I2242-A2332 HydrophobicContact CG2-CB 4.28Å; T2328-A2332 VanDerWaalsContact O-CB 3.29Å; T2328-A2332 WeakPolarHBondContact O-CB 3.37Å; T2328-A2332 PolarHBondContact O-N 3.19Å; T2329-A2332 CarbonylContact O-C 3.58Å; T2329-A2332 PolarHBondContact O-N 3.28Å; A2332-P2334 VanDerWaalsContact O-CD 3.25Å; A2332-P2334 WeakPolarHBondContact O-CD 3.35Å; A2332-L2387 HydrophobicContact CB-CD1 4.31Å; A2332-L2387 HydrophobicContact CB-CD2 4.38Å; A2332-L2387 WeakPolarHBondContact O-CD1 3.37Å |
| 2333 | W | 79.4 | Confident | 69.6 | Low | 2.5 Ų | 2.5 | 28.3 Ų | 28.3 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -68.4 | 115.7 | -179.8 | -166.6 | -95.3 | 0 | 0 | 0 | 110.9 | T2329 A2330 V2331 N2335 L2380 Q2384 L2387 L2388 N2483 H2486 L2487 A2490 | T2329-W2333 WeakPolarHBondContact O-CB 3.38Å; T2329-W2333 PolarHBondContact O-N 3.12Å; A2330-W2333 VanDerWaalsContact O-CB 3.31Å; A2330-W2333 WeakPolarHBondContact O-CB 3.31Å; A2330-W2333 PolarHBondContact O-N 3.44Å; V2331-W2333 PolarHBondContact O-N 3.18Å; W2333-N2335 PolarHBondContact O-N 3.27Å; W2333-L2380 HydrophobicContact CH2-CD2 4.42Å; W2333-L2380 HydrophobicContact CZ2-CD2 4.08Å; W2333-Q2384 HydrophobicContact CD2-CB 4.41Å; W2333-Q2384 HydrophobicContact CD2-CG 3.98Å; W2333-Q2384 HydrophobicContact CE3-CB 4.3Å; W2333-Q2384 HydrophobicContact CE3-CG 4.27Å; W2333-Q2384 HydrophobicContact CH2-CB 3.6Å; W2333-Q2384 HydrophobicContact CH2-CG 4.05Å; W2333-Q2384 HydrophobicContact CZ2-CB 3.62Å; W2333-Q2384 HydrophobicContact CZ2-CG 3.61Å; W2333-Q2384 HydrophobicContact CZ3-CB 4.01Å; W2333-Q2384 HydrophobicContact CZ3-CG 4.3Å; W2333-Q2384 VanDerWaalsContact CZ3-O 3.27Å; W2333-Q2384 WeakPolarHBondContact CZ3-O 3.38Å; W2333-Q2384 VanDerWaalsContact NE1-NE2 3.1Å; W2333-L2387 HydrophobicContact CE3-CB 4.15Å; W2333-L2387 HydrophobicContact CE3-CD1 3.99Å; W2333-L2387 HydrophobicContact CZ3-CB 4.05Å; W2333-L2387 HydrophobicContact CZ3-CD1 4.49Å; W2333-L2388 HydrophobicContact CZ3-CB 4.44Å; W2333-N2483 HydrophobicContact CB-CB 4.41Å; W2333-N2483 PolarHBondContact O-ND2 3.39Å; W2333-H2486 AromaticContact CE2-ND1 3.55Å; W2333-H2486 AromaticContact CZ2-CE1 3.91Å; W2333-H2486 AromaticContact CZ2-ND1 3.48Å; W2333-H2486 WeakPolarHBondContact CZ2-ND1 3.36Å; W2333-H2486 AromaticContact NE1-CE1 3.93Å; W2333-H2486 AromaticContact NE1-ND1 3.15Å; W2333-H2486 PolarHBondContact NE1-ND1 3.1Å; W2333-H2486 VanDerWaalsContact NE1-ND1 3.15Å; W2333-L2487 HydrophobicContact CD2-CB 4.46Å; W2333-L2487 HydrophobicContact CD2-CD1 4.35Å; W2333-L2487 HydrophobicContact CE3-CB 4.48Å; W2333-L2487 HydrophobicContact CE3-CD1 3.56Å; W2333-L2487 HydrophobicContact CH2-CD1 3.95Å; W2333-L2487 HydrophobicContact CZ3-CD1 3.34Å; W2333-L2487 VanDerWaalsContact CZ3-CD1 3.44Å; W2333-A2490 HydrophobicContact CH2-CB 4.47Å |
| 2334 | P | 71.3 | Confident | 68.1 | Low | 31 Ų | 31 | 27.5 Ų | 27.5 | 20% | 0.201 | 16% | 0.161 | C | C | . | . | trans | -58 | 133.5 | 176.6 | -21.2 | 30.9 | 0 | 0 | 0 | 111 | A2332 T2336 L2381 K2383 Q2384 | A2332-P2334 VanDerWaalsContact O-CD 3.25Å; A2332-P2334 WeakPolarHBondContact O-CD 3.35Å; P2334-T2336 PolarHBondContact O-N 2.99Å; P2334-L2381 HydrophobicContact CB-CD1 4Å; P2334-L2381 HydrophobicContact CB-CD2 4.48Å; P2334-K2383 HydrophobicContact CG-CB 3.71Å; P2334-K2383 HydrophobicContact CG-CD 4.3Å; P2334-Q2384 HydrophobicContact CB-CG 4.41Å; P2334-Q2384 HydrophobicContact CG-CG 4.17Å; P2334-Q2384 PolarHBondContact O-NE2 3.21Å | ||
| 2335 | N | 65.8 | Low | 66.7 | Low | 37 Ų | 37 | 29.2 Ų | 29.2 | 20% | 0.198 | 17% | 0.169 | C | C | . | . | trans | -75.6 | 118.4 | 178.7 | -124.3 | 7.9 | 0 | 0 | 0 | 110 | W2333 T2337 F2338 R2479 N2483 | W2333-N2335 PolarHBondContact O-N 3.27Å; N2335-T2337 PolarHBondContact OD1-N 3.38Å; N2335-F2338 PolarHBondContact ND2-O 3.16Å; N2335-F2338 WeakPolarHBondContact OD1-CB 3.14Å; N2335-F2338 PolarHBondContact OD1-N 3.17Å; N2335-F2338 PolarHBondContact OD1-O 3.46Å; N2335-R2479 PolarHBondContact ND2-NH2 3.42Å; N2335-R2479 PolarHBondContact OD1-NE 3.07Å; N2335-N2483 PolarHBondContact OD1-ND2 3.32Å; N2335-N2483 VanDerWaalsContact OD1-ND2 3.1Å | ||
| 2336 | T | 59.6 | Low | 65.1 | Low | 17.75 Ų | 17.75 | 32.2 Ų | 32.2 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -116.3 | -10.9 | 177.3 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | P2334 L2345 M2360 L2381 Q2384 | P2334-T2336 PolarHBondContact O-N 2.99Å; T2336-L2345 VanDerWaalsContact O-CD1 3.22Å; T2336-L2345 WeakPolarHBondContact O-CD1 3.48Å; T2336-L2345 PolarHBondContact O-N 3.5Å; T2336-M2360 VanDerWaalsContact O-CE 3.24Å; T2336-M2360 WeakPolarHBondContact O-CE 3.19Å; T2336-L2381 HydrophobicContact CG2-CB 4.37Å; T2336-L2381 HydrophobicContact CG2-CD1 3.29Å; T2336-L2381 HydrophobicContact CG2-CD2 3.71Å; T2336-L2381 HydrophobicContact CG2-CG 4.25Å; T2336-Q2384 PolarHBondContact OG1-NE2 3.13Å |
| 2337 | T | 57.2 | Low | 63.1 | Low | 12.25 Ų | 12.25 | 34.3 Ų | 34.3 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -121.5 | -23.4 | -165.1 | 48.6 | 0 | 0 | 0 | 0 | 114.5 | N2335 L2345 L2346 M2360 L2361 H2486 | N2335-T2337 PolarHBondContact OD1-N 3.38Å; T2337-L2345 HydrophobicContact CG2-CD2 4.44Å; T2337-L2345 CarbonylContact O-C 3.43Å; T2337-L2345 WeakPolarHBondContact O-CA 3.07Å; T2337-L2345 WeakPolarHBondContact O-CD2 3.31Å; T2337-L2346 WeakPolarHBondContact O-CD1 3.46Å; T2337-L2346 PolarHBondContact O-N 2.93Å; T2337-M2360 HydrophobicContact CG2-CB 4.12Å; T2337-M2360 HydrophobicContact CG2-CE 3.73Å; T2337-M2360 HydrophobicContact CG2-SD 4.16Å; T2337-L2361 HydrophobicContact CG2-CD2 4.4Å; T2337-H2486 HydrophobicContact CG2-CB 4.5Å; T2337-H2486 WeakPolarHBondContact CG2-CD2 3.48Å; T2337-H2486 WeakPolarHBondContact CG2-NE2 3.4Å |
| 2338 | F | 56.9 | Low | 61.1 | Low | 33.25 Ų | 33.25 | 35.8 Ų | 35.8 | 15% | 0.146 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -122.6 | 60.7 | -169.4 | -120.6 | -88.1 | 0 | 0 | 0 | 114.6 | N2335 I2340 L2346 L2361 I2478 R2479 T2482 Y2520 A2547 I2551 | N2335-F2338 PolarHBondContact ND2-O 3.16Å; N2335-F2338 WeakPolarHBondContact OD1-CB 3.14Å; N2335-F2338 PolarHBondContact OD1-N 3.17Å; N2335-F2338 PolarHBondContact OD1-O 3.46Å; F2338-I2340 HydrophobicContact CD1-CG1 4.27Å; F2338-I2340 HydrophobicContact CE1-CG1 4.16Å; F2338-I2340 PolarHBondContact O-N 3.09Å; F2338-I2340 VanDerWaalsContact O-N 3.14Å; F2338-L2346 HydrophobicContact CD1-CD1 4.34Å; F2338-L2346 HydrophobicContact CE1-CD1 4.42Å; F2338-L2346 WeakPolarHBondContact O-CD1 3.39Å; F2338-L2346 VanDerWaalsContact O-CG 3.28Å; F2338-L2346 WeakPolarHBondContact O-CG 3.33Å; F2338-L2361 HydrophobicContact CZ-CD1 4.5Å; F2338-I2478 HydrophobicContact CE1-CG2 4.46Å; F2338-I2478 HydrophobicContact CE2-CG2 3.77Å; F2338-I2478 HydrophobicContact CZ-CB 4.47Å; F2338-I2478 HydrophobicContact CZ-CG2 3.64Å; F2338-R2479 HydrophobicContact CD1-CB 3.98Å; F2338-R2479 HydrophobicContact CD1-CG 4.25Å; F2338-R2479 HydrophobicContact CE1-CB 4.29Å; F2338-T2482 HydrophobicContact CB-CG2 3.96Å; F2338-T2482 HydrophobicContact CD2-CG2 4.1Å; F2338-T2482 HydrophobicContact CE2-CG2 4.33Å; F2338-T2482 HydrophobicContact CG-CG2 4.45Å; F2338-Y2520 WeakPolarHBondContact CE2-OH 3.41Å; F2338-Y2520 HydrophobicContact CZ-CE1 4.07Å; F2338-Y2520 HydrophobicContact CZ-CE2 4.08Å; F2338-Y2520 WeakPolarHBondContact CZ-OH 3.42Å; F2338-A2547 HydrophobicContact CB-CB 4.33Å; F2338-A2547 HydrophobicContact CD1-CB 3.65Å; F2338-A2547 HydrophobicContact CD2-CB 3.84Å; F2338-A2547 VanDerWaalsContact CD2-CB 3.46Å; F2338-A2547 HydrophobicContact CE1-CB 3.72Å; F2338-A2547 HydrophobicContact CE2-CB 3.53Å; F2338-A2547 HydrophobicContact CG-CB 3.53Å; F2338-A2547 HydrophobicContact CZ-CB 3.66Å; F2338-I2551 HydrophobicContact CE2-CD1 4.48Å |
| 2339 | D | 54.6 | Low | 59.1 | Low | 34.25 Ų | 34.25 | 40.9 Ų | 40.9 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | trans | -83.5 | 109.9 | 178.2 | -133.5 | 15 | 0 | 0 | 0 | 110.7 | E2341 T2342 G2343 G2344 L2346 A2347 R2479 | D2339-E2341 VanDerWaalsContact C-N 3.29Å; D2339-E2341 PolarHBondContact O-N 3.28Å; D2339-E2341 PolarHBondContact OD1-N 3.34Å; D2339-E2341 VanDerWaalsContact OD1-N 3.11Å; D2339-T2342 WeakPolarHBondContact CB-OG1 3.27Å; D2339-T2342 VanDerWaalsContact CG-OG1 3.27Å; D2339-T2342 WeakPolarHBondContact OD2-CB 3.37Å; D2339-T2342 VanDerWaalsContact OD2-CG2 3.32Å; D2339-T2342 WeakPolarHBondContact OD2-CG2 3.18Å; D2339-T2342 PolarHBondContact OD2-OG1 2.93Å; D2339-T2342 VanDerWaalsContact OD2-OG1 3.14Å; D2339-G2343 WeakPolarHBondContact O-CA 3.33Å; D2339-G2343 PolarHBondContact O-N 2.83Å; D2339-G2344 PolarHBondContact N-O 3.27Å; D2339-G2344 PolarHBondContact O-N 3Å; D2339-L2346 HydrophobicContact CB-CD2 3.7Å; D2339-L2346 HydrophobicContact CB-CG 4Å; D2339-A2347 WeakPolarHBondContact O-CB 2.98Å; D2339-R2479 VanDerWaalsContact CG-CZ 3.45Å; D2339-R2479 VanDerWaalsContact CG-NH1 3.28Å; D2339-R2479 IonicContact OD1-CZ 3.2Å; D2339-R2479 IonicContact OD1-NE 3.38Å; D2339-R2479 IonicContact OD1-NH1 2.79Å; D2339-R2479 PolarHBondContact OD1-NH1 3.3Å; D2339-R2479 IonicContact OD1-NH2 3.44Å; D2339-R2479 PolarHBondContact OD1-NH2 3.44Å; D2339-R2479 IonicContact OD2-CZ 2.91Å; D2339-R2479 IonicContact OD2-NH1 2.75Å; D2339-R2479 PolarHBondContact OD2-NH1 2.9Å; D2339-R2479 IonicContact OD2-NH2 3.54Å; D2339-R2479 PolarHBondContact OD2-NH2 3.32Å | ||
| 2340 | I | 51.4 | Low | 56.9 | Low | 81 Ų | 81 | 47.5 Ų | 47.5 | 42% | 0.415 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -29 | -177.2 | -62.8 | 169.4 | 0 | 0 | 0 | 111.8 | F2338 A2347 Y2438 I2475 Y2520 | F2338-I2340 HydrophobicContact CD1-CG1 4.27Å; F2338-I2340 HydrophobicContact CE1-CG1 4.16Å; F2338-I2340 PolarHBondContact O-N 3.09Å; F2338-I2340 VanDerWaalsContact O-N 3.14Å; I2340-A2347 WeakPolarHBondContact O-CB 3.26Å; I2340-Y2438 HydrophobicContact CD1-CE2 4.3Å; I2340-Y2438 HydrophobicContact CG2-CE2 4.46Å; I2340-I2475 HydrophobicContact CG1-CG2 4.39Å; I2340-I2475 HydrophobicContact CG2-CD1 4.49Å; I2340-I2475 HydrophobicContact CG2-CG2 3.95Å; I2340-Y2520 HydrophobicContact CD1-CE2 4.34Å; I2340-Y2520 WeakPolarHBondContact O-CE1 3.39Å; I2340-Y2520 PolarHBondContact O-OH 2.76Å |
| 2341 | E | 49.3 | Very low | 54.8 | Low | 148.5 Ų | 148.5 | 50.2 Ų | 50.2 | 69% | 0.694 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -30.4 | -170.7 | -64.7 | -177.6 | 172.6 | 0 | 0 | 113.2 | D2339 Y2438 Y2520 | D2339-E2341 VanDerWaalsContact C-N 3.29Å; D2339-E2341 PolarHBondContact O-N 3.28Å; D2339-E2341 PolarHBondContact OD1-N 3.34Å; D2339-E2341 VanDerWaalsContact OD1-N 3.11Å; E2341-Y2438 PolarHBondContact OE1-OH 3.01Å; E2341-Y2520 WeakPolarHBondContact O-CD1 3.46Å |
| 2342 | T | 49.6 | Very low | 52.9 | Low | 65.75 Ų | 65.75 | 52.6 Ų | 52.6 | 40% | 0.403 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 0.2 | -172.4 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | D2339 G2344 Y2520 S2719 V2721 | D2339-T2342 WeakPolarHBondContact CB-OG1 3.27Å; D2339-T2342 VanDerWaalsContact CG-OG1 3.27Å; D2339-T2342 WeakPolarHBondContact OD2-CB 3.37Å; D2339-T2342 VanDerWaalsContact OD2-CG2 3.32Å; D2339-T2342 WeakPolarHBondContact OD2-CG2 3.18Å; D2339-T2342 PolarHBondContact OD2-OG1 2.93Å; D2339-T2342 VanDerWaalsContact OD2-OG1 3.14Å; T2342-G2344 PolarHBondContact O-N 3.1Å; T2342-G2344 PolarHBondContact OG1-N 3.34Å; T2342-Y2520 VanDerWaalsContact C-CD1 3.42Å; T2342-Y2520 WeakPolarHBondContact O-CB 3.36Å; T2342-S2719 WeakPolarHBondContact CG2-O 3.39Å; T2342-V2721 VanDerWaalsContact O-CG2 3.3Å; T2342-V2721 WeakPolarHBondContact O-CG2 3.27Å |
| 2343 | G | 45.9 | Very low | 51.2 | Low | 34.75 Ų | 34.75 | 57.2 Ų | 57.2 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 70 | 13.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D2339 L2345 Y2520 P2546 A2547 | D2339-G2343 WeakPolarHBondContact O-CA 3.33Å; D2339-G2343 PolarHBondContact O-N 2.83Å; G2343-L2345 VanDerWaalsContact C-N 3.31Å; G2343-L2345 PolarHBondContact O-N 3.49Å; G2343-Y2520 VanDerWaalsContact CA-CZ 3.4Å; G2343-P2546 WeakPolarHBondContact O-CD 3.23Å; G2343-A2547 PolarHBondContact O-N 3.1Å |
| 2344 | G | 49.8 | Very low | 49.4 | Very low | 15.25 Ų | 15.25 | 62.3 Ų | 62.3 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -78.7 | 165.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | D2339 T2342 L2346 A2347 | D2339-G2344 PolarHBondContact N-O 3.27Å; D2339-G2344 PolarHBondContact O-N 3Å; T2342-G2344 PolarHBondContact O-N 3.1Å; T2342-G2344 PolarHBondContact OG1-N 3.34Å; G2344-L2346 PolarHBondContact O-N 3.3Å; G2344-A2347 WeakPolarHBondContact O-CB 2.96Å; G2344-A2347 PolarHBondContact O-N 2.92Å |
| 2345 | L | 52.5 | Low | 48.1 | Very low | 36.25 Ų | 36.25 | 65.6 Ų | 65.6 | 19% | 0.19 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -89.2 | 59 | 177.4 | -94.1 | 161.1 | 0 | 0 | 0 | 113.4 | T2336 T2337 G2343 A2347 L2352 P2357 L2358 D2359 M2360 L2361 A2547 F2550 Q2724 | T2336-L2345 VanDerWaalsContact O-CD1 3.22Å; T2336-L2345 WeakPolarHBondContact O-CD1 3.48Å; T2336-L2345 PolarHBondContact O-N 3.5Å; T2337-L2345 HydrophobicContact CG2-CD2 4.44Å; T2337-L2345 CarbonylContact O-C 3.43Å; T2337-L2345 WeakPolarHBondContact O-CA 3.07Å; T2337-L2345 WeakPolarHBondContact O-CD2 3.31Å; G2343-L2345 VanDerWaalsContact C-N 3.31Å; G2343-L2345 PolarHBondContact O-N 3.49Å; L2345-A2347 PolarHBondContact O-N 3.01Å; L2345-L2352 HydrophobicContact CD2-CD1 3.9Å; L2345-P2357 HydrophobicContact CB-CB 3.67Å; L2345-L2358 HydrophobicContact CD1-CD2 3.77Å; L2345-L2358 HydrophobicContact CD1-CG 4.45Å; L2345-D2359 HydrophobicContact CD2-CB 4.48Å; L2345-M2360 HydrophobicContact CD1-CE 4.15Å; L2345-M2360 HydrophobicContact CD1-SD 4.48Å; L2345-L2361 HydrophobicContact CD1-CD1 3.7Å; L2345-L2361 HydrophobicContact CD1-CG 4.49Å; L2345-L2361 HydrophobicContact CD2-CD1 4.17Å; L2345-A2547 HydrophobicContact CD2-CB 4.05Å; L2345-A2547 HydrophobicContact CG-CB 4.45Å; L2345-F2550 HydrophobicContact CD1-CB 4.21Å; L2345-F2550 HydrophobicContact CD1-CD2 3.84Å; L2345-F2550 HydrophobicContact CD1-CG 4.48Å; L2345-F2550 HydrophobicContact CG-CD2 3.95Å; L2345-Q2724 PolarHBondContact O-NE2 2.93Å; L2345-Q2724 VanDerWaalsContact O-NE2 3.14Å |
| 2346 | L | 49.7 | Very low | 47.4 | Very low | 70.75 Ų | 70.75 | 64.6 Ų | 64.6 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | trans | -85.9 | 70.9 | -179.2 | -72.7 | 173.1 | 0 | 0 | 0 | 112.9 | T2337 F2338 D2339 G2344 G2348 I2353 M2360 | T2337-L2346 WeakPolarHBondContact O-CD1 3.46Å; T2337-L2346 PolarHBondContact O-N 2.93Å; F2338-L2346 HydrophobicContact CD1-CD1 4.34Å; F2338-L2346 HydrophobicContact CE1-CD1 4.42Å; F2338-L2346 WeakPolarHBondContact O-CD1 3.39Å; F2338-L2346 VanDerWaalsContact O-CG 3.28Å; F2338-L2346 WeakPolarHBondContact O-CG 3.33Å; D2339-L2346 HydrophobicContact CB-CD2 3.7Å; D2339-L2346 HydrophobicContact CB-CG 4Å; G2344-L2346 PolarHBondContact O-N 3.3Å; L2346-G2348 PolarHBondContact O-N 3.21Å; L2346-G2348 VanDerWaalsContact O-N 3.1Å; L2346-I2353 HydrophobicContact CD2-CG1 4.38Å; L2346-M2360 WeakPolarHBondContact O-CE 3.28Å | ||
| 2347 | A | 43.9 | Very low | 47.2 | Very low | 49.5 Ų | 49.5 | 65.3 Ų | 65.3 | 41% | 0.409 | 38% | 0.38 | S | S | . | . | trans | -85.8 | 51.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | D2339 I2340 G2344 L2345 V2349 R2718 | D2339-A2347 WeakPolarHBondContact O-CB 2.98Å; I2340-A2347 WeakPolarHBondContact O-CB 3.26Å; G2344-A2347 WeakPolarHBondContact O-CB 2.96Å; G2344-A2347 PolarHBondContact O-N 2.92Å; L2345-A2347 PolarHBondContact O-N 3.01Å; A2347-V2349 PolarHBondContact O-N 3.07Å; A2347-V2349 VanDerWaalsContact O-N 3.08Å; A2347-R2718 HydrophobicContact CB-CB 4.06Å; A2347-R2718 HydrophobicContact CB-CG 3.94Å | ||
| 2348 | G | 40.3 | Very low | 47.2 | Very low | 35 Ų | 35 | 66.2 Ų | 66.2 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | trans | -86 | 101.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L2346 D2350 A2351 L2352 | L2346-G2348 PolarHBondContact O-N 3.21Å; L2346-G2348 VanDerWaalsContact O-N 3.1Å; G2348-D2350 PolarHBondContact O-N 3.02Å; G2348-D2350 VanDerWaalsContact O-N 3.1Å; G2348-A2351 PolarHBondContact O-N 3.27Å; G2348-L2352 PolarHBondContact O-N 2.96Å | ||
| 2349 | V | 38.8 | Very low | 47.2 | Very low | 107.75 Ų | 107.75 | 67.3 Ų | 67.3 | 65% | 0.653 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 40.2 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | A2347 A2351 L2352 | A2347-V2349 PolarHBondContact O-N 3.07Å; A2347-V2349 VanDerWaalsContact O-N 3.08Å; V2349-A2351 HydrophobicContact CG1-CB 3.96Å; V2349-A2351 PolarHBondContact O-N 3.27Å; V2349-L2352 PolarHBondContact O-N 3.43Å; V2349-L2352 VanDerWaalsContact O-N 3.16Å |
| 2350 | D | 38.3 | Very low | 47.3 | Very low | 142.5 Ų | 142.5 | 66.4 Ų | 66.4 | 76% | 0.762 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.7 | 176.4 | -61.6 | -35.9 | 0 | 0 | 0 | 115.9 | G2348 L2352 I2353 | G2348-D2350 PolarHBondContact O-N 3.02Å; G2348-D2350 VanDerWaalsContact O-N 3.1Å; D2350-L2352 VanDerWaalsContact C-N 3.33Å; D2350-L2352 PolarHBondContact O-N 3.02Å; D2350-I2353 HydrophobicContact CB-CD1 4.3Å; D2350-I2353 WeakPolarHBondContact O-CD1 3.4Å |
| 2351 | A | 38.8 | Very low | 47.7 | Very low | 56.5 Ų | 56.5 | 63.2 Ų | 63.2 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | G2348 V2349 I2353 N2354 | G2348-A2351 PolarHBondContact O-N 3.27Å; V2349-A2351 HydrophobicContact CG1-CB 3.96Å; V2349-A2351 PolarHBondContact O-N 3.27Å; A2351-I2353 PolarHBondContact O-N 3.35Å; A2351-I2353 VanDerWaalsContact O-N 3.13Å; A2351-N2354 PolarHBondContact O-N 3.2Å |
| 2352 | L | 38.4 | Very low | 48.3 | Very low | 74.75 Ų | 74.75 | 59.2 Ų | 59.2 | 39% | 0.391 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5.6 | -175 | -94.3 | 146.5 | 0 | 0 | 0 | 114.4 | L2345 G2348 V2349 D2350 N2354 Y2355 M2360 P2379 | L2345-L2352 HydrophobicContact CD2-CD1 3.9Å; G2348-L2352 PolarHBondContact O-N 2.96Å; V2349-L2352 PolarHBondContact O-N 3.43Å; V2349-L2352 VanDerWaalsContact O-N 3.16Å; D2350-L2352 VanDerWaalsContact C-N 3.33Å; D2350-L2352 PolarHBondContact O-N 3.02Å; L2352-N2354 PolarHBondContact O-N 3.15Å; L2352-Y2355 HydrophobicContact CD2-CD2 4.18Å; L2352-Y2355 PolarHBondContact O-N 3Å; L2352-M2360 HydrophobicContact CD1-CE 4.42Å; L2352-M2360 HydrophobicContact CD1-SD 3.87Å; L2352-M2360 HydrophobicContact CD2-CE 4.05Å; L2352-P2379 HydrophobicContact CD2-CB 4.45Å |
| 2353 | I | 43 | Very low | 48.6 | Very low | 115 Ų | 115 | 58.2 Ų | 58.2 | 59% | 0.59 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -22.3 | -174.6 | -60.9 | 174.4 | 0 | 0 | 0 | 112.8 | L2346 D2350 A2351 Y2355 | L2346-I2353 HydrophobicContact CD2-CG1 4.38Å; D2350-I2353 HydrophobicContact CB-CD1 4.3Å; D2350-I2353 WeakPolarHBondContact O-CD1 3.4Å; A2351-I2353 PolarHBondContact O-N 3.35Å; A2351-I2353 VanDerWaalsContact O-N 3.13Å; I2353-Y2355 VanDerWaalsContact C-N 3.34Å; I2353-Y2355 PolarHBondContact O-N 3.46Å |
| 2354 | N | 42.3 | Very low | 49 | Very low | 108.75 Ų | 108.75 | 59.2 Ų | 59.2 | 58% | 0.582 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -7.3 | -172 | -69.8 | -33.9 | 0 | 0 | 0 | 116.7 | M2272 A2351 L2352 | M2272-N2354 PolarHBondContact O-ND2 3.44Å; M2272-N2354 VanDerWaalsContact O-ND2 3.15Å; A2351-N2354 PolarHBondContact O-N 3.2Å; L2352-N2354 PolarHBondContact O-N 3.15Å |
| 2355 | Y | 44.4 | Very low | 48.8 | Very low | 102 Ų | 102 | 67 Ų | 67 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | trans | -126.5 | 124.4 | -175.5 | -65.5 | -77.1 | 0 | 0 | 0 | 112.5 | L2352 I2353 D2359 R2718 | L2352-Y2355 HydrophobicContact CD2-CD2 4.18Å; L2352-Y2355 PolarHBondContact O-N 3Å; I2353-Y2355 VanDerWaalsContact C-N 3.34Å; I2353-Y2355 PolarHBondContact O-N 3.46Å; Y2355-D2359 WeakPolarHBondContact CA-OD2 3.08Å; Y2355-D2359 HydrophobicContact CD1-CB 4.04Å; Y2355-D2359 WeakPolarHBondContact CD1-OD2 3.48Å; Y2355-D2359 HydrophobicContact CG-CB 4.45Å; Y2355-R2718 PolarHBondContact O-NE 3.05Å; Y2355-R2718 VanDerWaalsContact O-NE 3.16Å; Y2355-R2718 PolarHBondContact O-NH2 3.36Å; Y2355-R2718 VanDerWaalsContact O-NH2 3.12Å | ||
| 2356 | G | 49.6 | Very low | 48.4 | Very low | 15.75 Ų | 15.75 | 69.1 Ų | 69.1 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | trans | -69.2 | 162.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2358 D2359 M2360 R2718 | G2356-L2358 PolarHBondContact O-N 3.4Å; G2356-L2358 VanDerWaalsContact O-N 3.09Å; G2356-D2359 WeakPolarHBondContact CA-OD2 3.4Å; G2356-D2359 VanDerWaalsContact N-CG 3.3Å; G2356-D2359 PolarHBondContact N-OD1 3.46Å; G2356-D2359 PolarHBondContact N-OD2 2.98Å; G2356-D2359 WeakPolarHBondContact O-CA 3.48Å; G2356-D2359 WeakPolarHBondContact O-CB 3.28Å; G2356-D2359 PolarHBondContact O-N 3.23Å; G2356-M2360 PolarHBondContact O-N 3.11Å; G2356-M2360 VanDerWaalsContact O-N 3.08Å; G2356-R2718 VanDerWaalsContact CA-NH2 3.31Å | ||
| 2357 | P | 55.7 | Low | 47.8 | Very low | 31.25 Ų | 31.25 | 75.2 Ų | 75.2 | 20% | 0.203 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.8 | 172.2 | 24 | -32.3 | 0 | 0 | 0 | 111.7 | L2345 D2359 M2360 R2718 Q2724 | L2345-P2357 HydrophobicContact CB-CB 3.67Å; P2357-D2359 VanDerWaalsContact C-N 3.25Å; P2357-D2359 PolarHBondContact O-N 2.91Å; P2357-M2360 PolarHBondContact O-N 3.12Å; P2357-R2718 VanDerWaalsContact CD-CG 3.45Å; P2357-R2718 HydrophobicContact CG-CB 4.26Å; P2357-R2718 HydrophobicContact CG-CG 3.99Å; P2357-Q2724 HydrophobicContact CG-CG 4.16Å |
| 2358 | L | 57.5 | Low | 47.6 | Very low | 31.75 Ų | 31.75 | 76.3 Ų | 76.3 | 17% | 0.166 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -32 | 170.2 | -71.6 | 174.7 | 0 | 0 | 0 | 113 | L2345 G2356 M2360 L2361 I2362 E2727 L2728 | L2345-L2358 HydrophobicContact CD1-CD2 3.77Å; L2345-L2358 HydrophobicContact CD1-CG 4.45Å; G2356-L2358 PolarHBondContact O-N 3.4Å; G2356-L2358 VanDerWaalsContact O-N 3.09Å; L2358-M2360 PolarHBondContact O-N 3.12Å; L2358-L2361 HydrophobicContact CD2-CD1 4.28Å; L2358-L2361 WeakPolarHBondContact O-CA 3.26Å; L2358-L2361 VanDerWaalsContact O-CB 3.29Å; L2358-L2361 WeakPolarHBondContact O-CB 3.27Å; L2358-L2361 PolarHBondContact O-N 3.21Å; L2358-I2362 WeakPolarHBondContact O-CG1 3.13Å; L2358-I2362 PolarHBondContact O-N 3.12Å; L2358-E2727 HydrophobicContact CD1-CB 3.47Å; L2358-E2727 VanDerWaalsContact CD1-CB 3.43Å; L2358-L2728 HydrophobicContact CD1-CB 4.4Å; L2358-L2728 HydrophobicContact CD2-CB 4.3Å; L2358-L2728 HydrophobicContact CD2-CD1 3.95Å |
| 2359 | D | 56.9 | Low | 47.9 | Very low | 55.75 Ų | 55.75 | 81.3 Ų | 81.3 | 30% | 0.298 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -64.7 | -26.8 | 175.9 | -62 | -13.4 | 0 | 0 | 0 | 111.6 | L2345 Y2355 G2356 P2357 L2361 I2362 | L2345-D2359 HydrophobicContact CD2-CB 4.48Å; Y2355-D2359 WeakPolarHBondContact CA-OD2 3.08Å; Y2355-D2359 HydrophobicContact CD1-CB 4.04Å; Y2355-D2359 WeakPolarHBondContact CD1-OD2 3.48Å; Y2355-D2359 HydrophobicContact CG-CB 4.45Å; G2356-D2359 WeakPolarHBondContact CA-OD2 3.4Å; G2356-D2359 VanDerWaalsContact N-CG 3.3Å; G2356-D2359 PolarHBondContact N-OD1 3.46Å; G2356-D2359 PolarHBondContact N-OD2 2.98Å; G2356-D2359 WeakPolarHBondContact O-CA 3.48Å; G2356-D2359 WeakPolarHBondContact O-CB 3.28Å; G2356-D2359 PolarHBondContact O-N 3.23Å; P2357-D2359 VanDerWaalsContact C-N 3.25Å; P2357-D2359 PolarHBondContact O-N 2.91Å; D2359-L2361 PolarHBondContact O-N 3.22Å; D2359-L2361 VanDerWaalsContact O-N 3.17Å; D2359-I2362 HydrophobicContact CB-CD1 4.34Å; D2359-I2362 PolarHBondContact O-N 3.16Å; D2359-I2362 VanDerWaalsContact O-N 3.1Å; D2359-I2362 VanDerWaalsContact OD1-CD1 3.31Å; D2359-I2362 WeakPolarHBondContact OD1-CD1 3.42Å |
| 2360 | M | 56 | Low | 48 | Very low | 15 Ų | 15 | 79.6 Ų | 79.6 | 7% | 0.074 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -65.6 | -11.7 | 168.9 | -71.9 | -161.3 | -132.4 | 0 | 0 | 113.6 | T2336 T2337 L2345 L2346 L2352 G2356 P2357 L2358 I2378 | T2336-M2360 VanDerWaalsContact O-CE 3.24Å; T2336-M2360 WeakPolarHBondContact O-CE 3.19Å; T2337-M2360 HydrophobicContact CG2-CB 4.12Å; T2337-M2360 HydrophobicContact CG2-CE 3.73Å; T2337-M2360 HydrophobicContact CG2-SD 4.16Å; L2345-M2360 HydrophobicContact CD1-CE 4.15Å; L2345-M2360 HydrophobicContact CD1-SD 4.48Å; L2346-M2360 WeakPolarHBondContact O-CE 3.28Å; L2352-M2360 HydrophobicContact CD1-CE 4.42Å; L2352-M2360 HydrophobicContact CD1-SD 3.87Å; L2352-M2360 HydrophobicContact CD2-CE 4.05Å; G2356-M2360 PolarHBondContact O-N 3.11Å; G2356-M2360 VanDerWaalsContact O-N 3.08Å; P2357-M2360 PolarHBondContact O-N 3.12Å; L2358-M2360 PolarHBondContact O-N 3.12Å; M2360-I2378 HydrophobicContact CE-CD1 4.22Å; M2360-I2378 WeakPolarHBondContact O-CG2 3.39Å |
| 2361 | L | 60.8 | Low | 48.2 | Very low | 15 Ų | 15 | 76.6 Ų | 76.6 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -104.7 | -6 | 173 | -60.3 | 176.2 | 0 | 0 | 0 | 112.8 | T2337 F2338 L2345 L2358 D2359 Y2489 I2551 K2554 | T2337-L2361 HydrophobicContact CG2-CD2 4.4Å; F2338-L2361 HydrophobicContact CZ-CD1 4.5Å; L2345-L2361 HydrophobicContact CD1-CD1 3.7Å; L2345-L2361 HydrophobicContact CD1-CG 4.49Å; L2345-L2361 HydrophobicContact CD2-CD1 4.17Å; L2358-L2361 HydrophobicContact CD2-CD1 4.28Å; L2358-L2361 WeakPolarHBondContact O-CA 3.26Å; L2358-L2361 VanDerWaalsContact O-CB 3.29Å; L2358-L2361 WeakPolarHBondContact O-CB 3.27Å; L2358-L2361 PolarHBondContact O-N 3.21Å; D2359-L2361 PolarHBondContact O-N 3.22Å; D2359-L2361 VanDerWaalsContact O-N 3.17Å; L2361-Y2489 HydrophobicContact CB-CE1 4.26Å; L2361-Y2489 HydrophobicContact CD2-CD1 4.36Å; L2361-Y2489 HydrophobicContact CD2-CE1 4.4Å; L2361-Y2489 WeakPolarHBondContact O-CE1 3.31Å; L2361-Y2489 PolarHBondContact O-OH 3.13Å; L2361-Y2489 VanDerWaalsContact O-OH 3.09Å; L2361-I2551 HydrophobicContact CD1-CG1 4.14Å; L2361-I2551 HydrophobicContact CD2-CG1 4.1Å; L2361-K2554 HydrophobicContact CB-CG 4.15Å; L2361-K2554 HydrophobicContact CD1-CG 4.24Å |
| 2362 | I | 61.6 | Low | 48.2 | Very low | 64.75 Ų | 64.75 | 78.4 Ų | 78.4 | 33% | 0.332 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -85.3 | 125 | -179.5 | -62.2 | 173.4 | 0 | 0 | 0 | 109.2 | L2358 D2359 V2364 P2379 | L2358-I2362 WeakPolarHBondContact O-CG1 3.13Å; L2358-I2362 PolarHBondContact O-N 3.12Å; D2359-I2362 HydrophobicContact CB-CD1 4.34Å; D2359-I2362 PolarHBondContact O-N 3.16Å; D2359-I2362 VanDerWaalsContact O-N 3.1Å; D2359-I2362 VanDerWaalsContact OD1-CD1 3.31Å; D2359-I2362 WeakPolarHBondContact OD1-CD1 3.42Å; I2362-V2364 PolarHBondContact O-N 3.4Å; I2362-V2364 VanDerWaalsContact O-N 3.14Å; I2362-P2379 WeakPolarHBondContact O-CD 3.41Å |
| 2363 | P | 56.9 | Low | 48.2 | Very low | 44.5 Ų | 44.5 | 79 Ų | 79 | 29% | 0.289 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 115.7 | 173.6 | 15.9 | -17.1 | 0 | 0 | 0 | 110.1 | R2365 M2375 Y2376 I2493 | P2363-R2365 PolarHBondContact O-N 3.07Å; P2363-M2375 HydrophobicContact CB-CE 3.84Å; P2363-M2375 HydrophobicContact CB-CG 4.38Å; P2363-M2375 HydrophobicContact CG-CE 3.67Å; P2363-Y2376 HydrophobicContact CB-CD1 4.19Å; P2363-Y2376 HydrophobicContact CB-CG 4.48Å; P2363-I2493 HydrophobicContact CB-CD1 4.02Å; P2363-I2493 HydrophobicContact CB-CG2 4.32Å; P2363-I2493 HydrophobicContact CG-CD1 4.03Å |
| 2364 | V | 54.2 | Low | 48 | Very low | 54.5 Ų | 54.5 | 78.6 Ų | 78.6 | 33% | 0.33 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 124.1 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | I2362 M2366 S2377 P2379 | I2362-V2364 PolarHBondContact O-N 3.4Å; I2362-V2364 VanDerWaalsContact O-N 3.14Å; V2364-M2366 HydrophobicContact CB-CE 4.29Å; V2364-M2366 HydrophobicContact CG1-CE 3.84Å; V2364-M2366 HydrophobicContact CG1-SD 4.29Å; V2364-M2366 PolarHBondContact O-N 3.08Å; V2364-M2366 VanDerWaalsContact O-N 3.16Å; V2364-S2377 PolarHBondContact N-O 3.1Å; V2364-S2377 PolarHBondContact O-N 2.99Å; V2364-S2377 VanDerWaalsContact O-N 3.08Å; V2364-P2379 HydrophobicContact CG2-CG 4.01Å |
| 2365 | R | 44.5 | Very low | 48.1 | Very low | 180 Ų | 180 | 76.6 Ų | 76.6 | 68% | 0.679 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 108.5 | 174.6 | -91.7 | -176.5 | -161.5 | 157.6 | -1.4 | 109.7 | P2363 K2367 E2374 Y2376 | P2363-R2365 PolarHBondContact O-N 3.07Å; R2365-K2367 PolarHBondContact O-N 3.19Å; R2365-E2374 IonicContact CZ-OE1 2.73Å; R2365-E2374 IonicContact CZ-OE2 2.63Å; R2365-E2374 IonicContact NE-OE1 3.35Å; R2365-E2374 IonicContact NE-OE2 3.08Å; R2365-E2374 PolarHBondContact NE-OE2 2.91Å; R2365-E2374 VanDerWaalsContact NE-OE2 3.12Å; R2365-E2374 IonicContact NH2-OE1 3.95Å; R2365-E2374 PolarHBondContact NH2-OE1 2.77Å; R2365-E2374 IonicContact NH2-OE2 3.96Å; R2365-E2374 PolarHBondContact NH2-OE2 3.09Å; R2365-Y2376 HydrophobicContact CB-CD1 4.21Å; R2365-Y2376 HydrophobicContact CB-CE1 3.85Å; R2365-Y2376 HydrophobicContact CG-CD1 4.06Å; R2365-Y2376 HydrophobicContact CG-CE1 3.63Å; R2365-Y2376 VanDerWaalsContact CZ-OH 3.31Å; R2365-Y2376 PolarHBondContact NE-OH 3.07Å; R2365-Y2376 VanDerWaalsContact NE-OH 3.08Å; R2365-Y2376 PolarHBondContact NH2-OH 3.18Å; R2365-Y2376 VanDerWaalsContact NH2-OH 3.11Å |
| 2366 | M | 43.9 | Very low | 48.4 | Very low | 80.5 Ų | 80.5 | 75.3 Ų | 75.3 | 40% | 0.397 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.8 | 170.8 | -69 | -65.3 | 177 | 0 | 0 | 109.3 | T2269 M2272 V2364 R2368 M2375 | T2269-M2366 HydrophobicContact CG2-CE 4.42Å; M2272-M2366 HydrophobicContact CB-CE 4.34Å; M2272-M2366 HydrophobicContact CE-SD 3.8Å; M2272-M2366 HydrophobicContact CG-CE 3.73Å; M2272-M2366 HydrophobicContact CG-SD 3.76Å; M2272-M2366 HydrophobicContact SD-CE 3.69Å; M2272-M2366 HydrophobicContact SD-SD 3.7Å; V2364-M2366 HydrophobicContact CB-CE 4.29Å; V2364-M2366 HydrophobicContact CG1-CE 3.84Å; V2364-M2366 HydrophobicContact CG1-SD 4.29Å; V2364-M2366 PolarHBondContact O-N 3.08Å; V2364-M2366 VanDerWaalsContact O-N 3.16Å; M2366-R2368 PolarHBondContact O-N 3.35Å; M2366-M2375 HydrophobicContact CB-CB 4.48Å; M2366-M2375 PolarHBondContact N-O 3.2Å; M2366-M2375 PolarHBondContact O-N 2.81Å |
| 2367 | K | 37.4 | Very low | 48.7 | Very low | 199.25 Ų | 199.25 | 76.3 Ų | 76.3 | 87% | 0.866 | 41% | 0.405 | S | S | * | . | trans | -74.2 | 116.9 | 173.5 | -147.9 | 176.4 | -177.8 | 179 | 0 | 108.5 | R2365 | R2365-K2367 PolarHBondContact O-N 3.19Š| ||
| 2368 | R | 40.5 | Very low | 49.1 | Very low | 72.25 Ų | 72.25 | 75.2 Ų | 75.2 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | trans | -76.3 | 138 | 167.5 | -134.4 | -177.4 | -69.4 | 170.5 | -2.1 | 108.3 | F2265 D2278 M2366 N2370 G2371 T2372 S2373 E2374 Y2376 | F2265-R2368 HydrophobicContact CD1-CG 4.45Å; F2265-R2368 HydrophobicContact CE1-CB 4.26Å; F2265-R2368 HydrophobicContact CE1-CG 3.27Å; F2265-R2368 HydrophobicContact CZ-CG 3.43Å; F2265-R2368 VanDerWaalsContact CZ-CG 3.43Å; D2278-R2368 IonicContact OD2-CZ 3.49Å; D2278-R2368 IonicContact OD2-NH1 2.69Å; D2278-R2368 PolarHBondContact OD2-NH1 3.43Å; D2278-R2368 IonicContact OD2-NH2 3.71Å; M2366-R2368 PolarHBondContact O-N 3.35Å; R2368-N2370 HydrophobicContact CG-CB 4.38Å; R2368-N2370 CarbonylContact O-C 3.57Å; R2368-N2370 PolarHBondContact O-N 3.13Å; R2368-N2370 VanDerWaalsContact O-N 3.12Å; R2368-G2371 PolarHBondContact O-N 3.09Å; R2368-T2372 PolarHBondContact NE-O 3.33Å; R2368-T2372 PolarHBondContact NH1-O 3.42Å; R2368-S2373 VanDerWaalsContact CZ-O 3.26Å; R2368-S2373 PolarHBondContact NE-O 2.9Å; R2368-S2373 PolarHBondContact NH1-O 3.19Å; R2368-S2373 PolarHBondContact NH1-OG 3.25Å; R2368-S2373 VanDerWaalsContact NH2-CB 3.32Å; R2368-S2373 PolarHBondContact NH2-O 2.98Å; R2368-S2373 PolarHBondContact NH2-OG 3.17Å; R2368-E2374 IonicContact CZ-OE2 3.88Å; R2368-E2374 VanDerWaalsContact NH2-CD 3.35Å; R2368-E2374 IonicContact NH2-OE1 2.92Å; R2368-E2374 IonicContact NH2-OE2 2.67Å; R2368-E2374 PolarHBondContact NH2-OE2 2.7Å; R2368-Y2376 PolarHBondContact NH2-OH 3.46Å | ||
| 2369 | D | 45.3 | Very low | 49.3 | Very low | 139.5 Ų | 139.5 | 76 Ų | 76 | 75% | 0.746 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -60.1 | -18.5 | 178 | -69.2 | -36.6 | 0 | 0 | 0 | 112.8 | G2371 | D2369-G2371 VanDerWaalsContact C-N 3.29Å; D2369-G2371 PolarHBondContact O-N 2.89Å |
| 2370 | N | 41.7 | Very low | 49.8 | Very low | 72 Ų | 72 | 74.6 Ų | 74.6 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -92.2 | 58.1 | 179.1 | -47.2 | 4.9 | 0 | 0 | 0 | 110.1 | S2268 R2368 T2372 | S2268-N2370 PolarHBondContact OG-OD1 2.87Å; R2368-N2370 HydrophobicContact CG-CB 4.38Å; R2368-N2370 CarbonylContact O-C 3.57Å; R2368-N2370 PolarHBondContact O-N 3.13Å; R2368-N2370 VanDerWaalsContact O-N 3.12Å; N2370-T2372 PolarHBondContact O-N 3.17Å; N2370-T2372 VanDerWaalsContact O-N 3.08Å; N2370-T2372 PolarHBondContact O-OG1 3.38Å |
| 2371 | G | 43.2 | Very low | 50.4 | Low | 79.25 Ų | 79.25 | 77.6 Ų | 77.6 | 82% | 0.817 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 1.9 | 14.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117 | R2368 D2369 | R2368-G2371 PolarHBondContact O-N 3.09Å; D2369-G2371 VanDerWaalsContact C-N 3.29Å; D2369-G2371 PolarHBondContact O-N 2.89Å |
| 2372 | T | 37.5 | Very low | 50.7 | Low | 95.25 Ų | 95.25 | 80.4 Ų | 80.4 | 58% | 0.584 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -112.9 | 118.5 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | R2368 N2370 E2374 | R2368-T2372 PolarHBondContact NE-O 3.33Å; R2368-T2372 PolarHBondContact NH1-O 3.42Å; N2370-T2372 PolarHBondContact O-N 3.17Å; N2370-T2372 VanDerWaalsContact O-N 3.08Å; N2370-T2372 PolarHBondContact O-OG1 3.38Å; T2372-E2374 PolarHBondContact O-N 2.85Å |
| 2373 | S | 39.2 | Very low | 51.2 | Low | 88 Ų | 88 | 84 Ų | 84 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | trans | 50 | 109 | 179 | 148.8 | 0 | 0 | 0 | 0 | 114 | R2368 | R2368-S2373 VanDerWaalsContact CZ-O 3.26Å; R2368-S2373 PolarHBondContact NE-O 2.9Å; R2368-S2373 PolarHBondContact NH1-O 3.19Å; R2368-S2373 PolarHBondContact NH1-OG 3.25Å; R2368-S2373 VanDerWaalsContact NH2-CB 3.32Å; R2368-S2373 PolarHBondContact NH2-O 2.98Å; R2368-S2373 PolarHBondContact NH2-OG 3.17Å | ||
| 2374 | E | 39.7 | Very low | 52.2 | Low | 104.75 Ų | 104.75 | 81.9 Ų | 81.9 | 49% | 0.489 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 137.9 | 168.2 | -59.4 | -175.2 | 161.6 | 0 | 0 | 110.1 | S2274 R2365 R2368 T2372 Y2376 | S2274-E2374 PolarHBondContact OG-OE1 2.79Å; R2365-E2374 IonicContact CZ-OE1 2.73Å; R2365-E2374 IonicContact CZ-OE2 2.63Å; R2365-E2374 IonicContact NE-OE1 3.35Å; R2365-E2374 IonicContact NE-OE2 3.08Å; R2365-E2374 PolarHBondContact NE-OE2 2.91Å; R2365-E2374 VanDerWaalsContact NE-OE2 3.12Å; R2365-E2374 IonicContact NH2-OE1 3.95Å; R2365-E2374 PolarHBondContact NH2-OE1 2.77Å; R2365-E2374 IonicContact NH2-OE2 3.96Å; R2365-E2374 PolarHBondContact NH2-OE2 3.09Å; R2368-E2374 IonicContact CZ-OE2 3.88Å; R2368-E2374 VanDerWaalsContact NH2-CD 3.35Å; R2368-E2374 IonicContact NH2-OE1 2.92Å; R2368-E2374 IonicContact NH2-OE2 2.67Å; R2368-E2374 PolarHBondContact NH2-OE2 2.7Å; T2372-E2374 PolarHBondContact O-N 2.85Å; E2374-Y2376 HydrophobicContact CB-CE2 4.2Å; E2374-Y2376 PolarHBondContact O-N 3.31Å; E2374-Y2376 WeakPolarHBondContact OE2-CE2 3.28Å; E2374-Y2376 PolarHBondContact OE2-OH 3.19Å |
| 2375 | M | 42.8 | Very low | 53.2 | Low | 68.5 Ų | 68.5 | 80.9 Ų | 80.9 | 34% | 0.337 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123 | 176 | -142 | 172.5 | 129.7 | 0 | 0 | 109.8 | Y2266 P2363 M2366 R2394 M2494 | Y2266-M2375 HydrophobicContact CE1-CE 4.47Å; Y2266-M2375 PolarHBondContact OH-SD 3.38Å; Y2266-M2375 VanDerWaalsContact OH-SD 3.33Å; P2363-M2375 HydrophobicContact CB-CE 3.84Å; P2363-M2375 HydrophobicContact CB-CG 4.38Å; P2363-M2375 HydrophobicContact CG-CE 3.67Å; M2366-M2375 HydrophobicContact CB-CB 4.48Å; M2366-M2375 PolarHBondContact N-O 3.2Å; M2366-M2375 PolarHBondContact O-N 2.81Å; M2375-R2394 VanDerWaalsContact CE-NH2 3.3Å; M2375-R2394 PolarHBondContact SD-NH2 3.24Å; M2375-M2494 HydrophobicContact CE-CG 3.53Å |
| 2376 | Y | 50.4 | Low | 54.6 | Low | 73.25 Ų | 73.25 | 72.6 Ų | 72.6 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.8 | 174.5 | -67.1 | -89.2 | 0 | 0 | 0 | 109.5 | P2363 R2365 R2368 E2374 I2493 | P2363-Y2376 HydrophobicContact CB-CD1 4.19Å; P2363-Y2376 HydrophobicContact CB-CG 4.48Å; R2365-Y2376 HydrophobicContact CB-CD1 4.21Å; R2365-Y2376 HydrophobicContact CB-CE1 3.85Å; R2365-Y2376 HydrophobicContact CG-CD1 4.06Å; R2365-Y2376 HydrophobicContact CG-CE1 3.63Å; R2365-Y2376 VanDerWaalsContact CZ-OH 3.31Å; R2365-Y2376 PolarHBondContact NE-OH 3.07Å; R2365-Y2376 VanDerWaalsContact NE-OH 3.08Å; R2365-Y2376 PolarHBondContact NH2-OH 3.18Å; R2365-Y2376 VanDerWaalsContact NH2-OH 3.11Å; R2368-Y2376 PolarHBondContact NH2-OH 3.46Å; E2374-Y2376 HydrophobicContact CB-CE2 4.2Å; E2374-Y2376 PolarHBondContact O-N 3.31Å; E2374-Y2376 WeakPolarHBondContact OE2-CE2 3.28Å; E2374-Y2376 PolarHBondContact OE2-OH 3.19Å; Y2376-I2493 WeakPolarHBondContact O-CG2 3.23Å |
| 2377 | S | 56 | Low | 56.4 | Low | 36.25 Ų | 36.25 | 69 Ų | 69 | 25% | 0.253 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.2 | 170.7 | 55 | 0 | 0 | 0 | 0 | 110.5 | V2364 | V2364-S2377 PolarHBondContact N-O 3.1Å; V2364-S2377 PolarHBondContact O-N 2.99Å; V2364-S2377 VanDerWaalsContact O-N 3.08Å |
| 2378 | I | 65.6 | Low | 58.4 | Low | 9.25 Ų | 9.25 | 59.6 Ų | 59.6 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | trans | -61.8 | 141.9 | 171.7 | -55.2 | 175.8 | 0 | 0 | 0 | 109.1 | M2360 L2380 Y2489 A2490 I2493 | M2360-I2378 HydrophobicContact CE-CD1 4.22Å; M2360-I2378 WeakPolarHBondContact O-CG2 3.39Å; I2378-L2380 HydrophobicContact CB-CD2 4.4Å; I2378-L2380 HydrophobicContact CB-CG 4.22Å; I2378-L2380 HydrophobicContact CG2-CD2 4.16Å; I2378-L2380 HydrophobicContact CG2-CG 4.01Å; I2378-L2380 WeakPolarHBondContact O-CG 3.36Å; I2378-L2380 PolarHBondContact O-N 3.3Å; I2378-L2380 VanDerWaalsContact O-N 3.07Å; I2378-Y2489 HydrophobicContact CD1-CD1 3.32Å; I2378-Y2489 HydrophobicContact CD1-CE1 3.39Å; I2378-Y2489 VanDerWaalsContact CD1-CE1 3.43Å; I2378-Y2489 HydrophobicContact CD1-CG 4.13Å; I2378-Y2489 HydrophobicContact CG1-CD1 4.39Å; I2378-Y2489 HydrophobicContact CG1-CE1 4.16Å; I2378-A2490 HydrophobicContact CD1-CB 4.05Å; I2378-I2493 HydrophobicContact CD1-CD1 3.81Å; I2378-I2493 HydrophobicContact CG1-CB 4.42Å; I2378-I2493 HydrophobicContact CG1-CD1 3.62Å; I2378-I2493 VanDerWaalsContact CG1-CD1 3.41Å; I2378-I2493 HydrophobicContact CG1-CG1 4.47Å; I2378-I2493 HydrophobicContact CG1-CG2 4.47Å | ||
| 2379 | P | 61.6 | Low | 60.3 | Low | 49.25 Ų | 49.25 | 56.3 Ų | 56.3 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | trans | -62.7 | 101.1 | 172.6 | 4.5 | -2.3 | 0 | 0 | 0 | 110.8 | L2352 I2362 V2364 | L2352-P2379 HydrophobicContact CD2-CB 4.45Å; I2362-P2379 WeakPolarHBondContact O-CD 3.41Å; V2364-P2379 HydrophobicContact CG2-CG 4.01Å | ||
| 2380 | L | 67.1 | Low | 62 | Low | 26 Ų | 26 | 49.8 Ų | 49.8 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | trans | -101.3 | 143.4 | -179.9 | -65.8 | 171.7 | 0 | 0 | 0 | 110.6 | W2333 I2378 Q2384 I2385 L2388 A2490 | W2333-L2380 HydrophobicContact CH2-CD2 4.42Å; W2333-L2380 HydrophobicContact CZ2-CD2 4.08Å; I2378-L2380 HydrophobicContact CB-CD2 4.4Å; I2378-L2380 HydrophobicContact CB-CG 4.22Å; I2378-L2380 HydrophobicContact CG2-CD2 4.16Å; I2378-L2380 HydrophobicContact CG2-CG 4.01Å; I2378-L2380 WeakPolarHBondContact O-CG 3.36Å; I2378-L2380 PolarHBondContact O-N 3.3Å; I2378-L2380 VanDerWaalsContact O-N 3.07Å; L2380-Q2384 HydrophobicContact CB-CB 4.08Å; L2380-Q2384 HydrophobicContact CD2-CB 4.35Å; L2380-I2385 HydrophobicContact CB-CD1 4.33Å; L2380-I2385 HydrophobicContact CB-CG1 3.74Å; L2380-I2385 HydrophobicContact CD1-CG1 4.34Å; L2380-L2388 HydrophobicContact CD1-CD2 3.96Å; L2380-A2490 HydrophobicContact CD1-CB 4.08Å; L2380-A2490 HydrophobicContact CD2-CB 4.25Å | ||
| 2381 | L | 67.6 | Low | 63.9 | Low | 77.25 Ų | 77.25 | 46.8 Ų | 46.8 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | trans | -64.9 | 152.2 | 169.2 | -90 | 105 | 0 | 0 | 0 | 110.9 | P2334 T2336 K2383 Q2384 I2385 | P2334-L2381 HydrophobicContact CB-CD1 4Å; P2334-L2381 HydrophobicContact CB-CD2 4.48Å; T2336-L2381 HydrophobicContact CG2-CB 4.37Å; T2336-L2381 HydrophobicContact CG2-CD1 3.29Å; T2336-L2381 HydrophobicContact CG2-CD2 3.71Å; T2336-L2381 HydrophobicContact CG2-CG 4.25Å; L2381-K2383 PolarHBondContact O-N 3.11Å; L2381-K2383 VanDerWaalsContact O-N 3.12Å; L2381-Q2384 HydrophobicContact CB-CB 4.4Å; L2381-Q2384 HydrophobicContact CB-CG 4.23Å; L2381-Q2384 WeakPolarHBondContact O-CA 3.35Å; L2381-Q2384 WeakPolarHBondContact O-CB 3.46Å; L2381-Q2384 PolarHBondContact O-N 3.17Å; L2381-I2385 PolarHBondContact O-N 3.05Å | ||
| 2382 | Q | 67.7 | Low | 65.4 | Low | 73.25 Ų | 73.25 | 43.1 Ų | 43.1 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.9 | -36.7 | 177.7 | -171.3 | 62.8 | 44.6 | 0 | 0 | 113 | N2250 S2268 I2385 S2386 | N2250-Q2382 PolarHBondContact ND2-NE2 2.92Å; N2250-Q2382 PolarHBondContact OD1-NE2 3.07Å; S2268-Q2382 PolarHBondContact OG-OE1 2.99Å; Q2382-I2385 PolarHBondContact O-N 3.08Å; Q2382-S2386 WeakPolarHBondContact O-CB 3.36Å; Q2382-S2386 PolarHBondContact O-N 3.09Å; Q2382-S2386 PolarHBondContact O-OG 3.09Å |
| 2383 | K | 71.8 | Confident | 67.1 | Low | 140.75 Ų | 140.75 | 38.7 Ų | 38.7 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -68.1 | -31.7 | 175 | -71.7 | -175.7 | 179 | -177.9 | 0 | 113.4 | P2334 L2381 S2386 L2387 | P2334-K2383 HydrophobicContact CG-CB 3.71Å; P2334-K2383 HydrophobicContact CG-CD 4.3Å; L2381-K2383 PolarHBondContact O-N 3.11Å; L2381-K2383 VanDerWaalsContact O-N 3.12Å; K2383-S2386 WeakPolarHBondContact CA-OG 3.28Å; K2383-S2386 PolarHBondContact O-OG 3.1Å; K2383-L2387 WeakPolarHBondContact O-CD1 3.35Å; K2383-L2387 VanDerWaalsContact O-CG 3.3Å; K2383-L2387 WeakPolarHBondContact O-CG 3.43Å; K2383-L2387 PolarHBondContact O-N 3.08Å; K2383-L2387 VanDerWaalsContact O-N 3.15Å |
| 2384 | Q | 77.7 | Confident | 68.7 | Low | 0.5 Ų | 0.5 | 37.3 Ų | 37.3 | 0% | 0.002 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.3 | -42.5 | 174.9 | -70.8 | 175.1 | -25.5 | 0 | 0 | 110.5 | W2333 P2334 T2336 L2380 L2381 S2386 L2387 L2388 | W2333-Q2384 HydrophobicContact CD2-CB 4.41Å; W2333-Q2384 HydrophobicContact CD2-CG 3.98Å; W2333-Q2384 HydrophobicContact CE3-CB 4.3Å; W2333-Q2384 HydrophobicContact CE3-CG 4.27Å; W2333-Q2384 HydrophobicContact CH2-CB 3.6Å; W2333-Q2384 HydrophobicContact CH2-CG 4.05Å; W2333-Q2384 HydrophobicContact CZ2-CB 3.62Å; W2333-Q2384 HydrophobicContact CZ2-CG 3.61Å; W2333-Q2384 HydrophobicContact CZ3-CB 4.01Å; W2333-Q2384 HydrophobicContact CZ3-CG 4.3Å; W2333-Q2384 VanDerWaalsContact CZ3-O 3.27Å; W2333-Q2384 WeakPolarHBondContact CZ3-O 3.38Å; W2333-Q2384 VanDerWaalsContact NE1-NE2 3.1Å; P2334-Q2384 HydrophobicContact CB-CG 4.41Å; P2334-Q2384 HydrophobicContact CG-CG 4.17Å; P2334-Q2384 PolarHBondContact O-NE2 3.21Å; T2336-Q2384 PolarHBondContact OG1-NE2 3.13Å; L2380-Q2384 HydrophobicContact CB-CB 4.08Å; L2380-Q2384 HydrophobicContact CD2-CB 4.35Å; L2381-Q2384 HydrophobicContact CB-CB 4.4Å; L2381-Q2384 HydrophobicContact CB-CG 4.23Å; L2381-Q2384 WeakPolarHBondContact O-CA 3.35Å; L2381-Q2384 WeakPolarHBondContact O-CB 3.46Å; L2381-Q2384 PolarHBondContact O-N 3.17Å; Q2384-S2386 VanDerWaalsContact C-N 3.33Å; Q2384-S2386 PolarHBondContact O-N 3.24Å; Q2384-L2387 PolarHBondContact O-N 3.13Å; Q2384-L2388 VanDerWaalsContact O-CB 3.3Å; Q2384-L2388 WeakPolarHBondContact O-CB 3.33Å; Q2384-L2388 PolarHBondContact O-N 3.2Å |
| 2385 | I | 75.8 | Confident | 70 | Confident | 34.25 Ų | 34.25 | 32.6 Ų | 32.6 | 18% | 0.176 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 174.5 | -61.2 | 171.1 | 0 | 0 | 0 | 110.2 | Y2266 Y2276 L2380 L2381 Q2382 L2387 L2388 D2389 | Y2266-I2385 HydrophobicContact CD1-CD1 4.31Å; Y2266-I2385 HydrophobicContact CE1-CD1 4.26Å; Y2276-I2385 HydrophobicContact CE1-CD1 4.44Å; L2380-I2385 HydrophobicContact CB-CD1 4.33Å; L2380-I2385 HydrophobicContact CB-CG1 3.74Å; L2380-I2385 HydrophobicContact CD1-CG1 4.34Å; L2381-I2385 PolarHBondContact O-N 3.05Å; Q2382-I2385 PolarHBondContact O-N 3.08Å; I2385-L2387 VanDerWaalsContact C-N 3.33Å; I2385-L2387 PolarHBondContact O-N 3.1Å; I2385-L2388 PolarHBondContact O-N 3.29Å; I2385-D2389 WeakPolarHBondContact O-CB 3.29Å; I2385-D2389 PolarHBondContact O-N 3.21Å |
| 2386 | S | 73.7 | Confident | 71.1 | Confident | 5.75 Ų | 5.75 | 33.1 Ų | 33.1 | 4% | 0.04 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 179.1 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | S2246 N2250 Q2382 K2383 Q2384 L2388 L2390 | S2246-S2386 VanDerWaalsContact OG-CB 3.25Å; S2246-S2386 WeakPolarHBondContact OG-CB 3.34Å; S2246-S2386 PolarHBondContact OG-O 3.18Å; S2246-S2386 PolarHBondContact OG-OG 3.17Å; N2250-S2386 VanDerWaalsContact CB-CB 3.5Å; Q2382-S2386 WeakPolarHBondContact O-CB 3.36Å; Q2382-S2386 PolarHBondContact O-N 3.09Å; Q2382-S2386 PolarHBondContact O-OG 3.09Å; K2383-S2386 WeakPolarHBondContact CA-OG 3.28Å; K2383-S2386 PolarHBondContact O-OG 3.1Å; Q2384-S2386 VanDerWaalsContact C-N 3.33Å; Q2384-S2386 PolarHBondContact O-N 3.24Å; S2386-L2388 VanDerWaalsContact C-N 3.33Å; S2386-L2390 WeakPolarHBondContact O-CB 3.34Å; S2386-L2390 PolarHBondContact O-N 3.26Å |
| 2387 | L | 81.6 | Confident | 71.4 | Confident | 3.75 Ų | 3.75 | 31.3 Ų | 31.3 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.1 | -77.2 | 167 | 0 | 0 | 0 | 110.6 | I2242 S2246 T2329 A2332 W2333 K2383 Q2384 I2385 L2390 I2391 | I2242-L2387 HydrophobicContact CG2-CD2 3.63Å; S2246-L2387 VanDerWaalsContact OG-CA 3.3Å; S2246-L2387 WeakPolarHBondContact OG-CA 3.29Å; S2246-L2387 WeakPolarHBondContact OG-CG 3.37Å; S2246-L2387 PolarHBondContact OG-N 3.15Å; T2329-L2387 HydrophobicContact CG2-CB 4.4Å; T2329-L2387 HydrophobicContact CG2-CD2 4.18Å; A2332-L2387 HydrophobicContact CB-CD1 4.31Å; A2332-L2387 HydrophobicContact CB-CD2 4.38Å; A2332-L2387 WeakPolarHBondContact O-CD1 3.37Å; W2333-L2387 HydrophobicContact CE3-CB 4.15Å; W2333-L2387 HydrophobicContact CE3-CD1 3.99Å; W2333-L2387 HydrophobicContact CZ3-CB 4.05Å; W2333-L2387 HydrophobicContact CZ3-CD1 4.49Å; K2383-L2387 WeakPolarHBondContact O-CD1 3.35Å; K2383-L2387 VanDerWaalsContact O-CG 3.3Å; K2383-L2387 WeakPolarHBondContact O-CG 3.43Å; K2383-L2387 PolarHBondContact O-N 3.08Å; K2383-L2387 VanDerWaalsContact O-N 3.15Å; Q2384-L2387 PolarHBondContact O-N 3.13Å; I2385-L2387 VanDerWaalsContact C-N 3.33Å; I2385-L2387 PolarHBondContact O-N 3.1Å; L2387-L2390 WeakPolarHBondContact O-CB 3.34Å; L2387-L2390 PolarHBondContact O-N 3.29Å; L2387-I2391 WeakPolarHBondContact O-CD1 3.42Å; L2387-I2391 VanDerWaalsContact O-CG1 3.28Å; L2387-I2391 WeakPolarHBondContact O-CG1 3.29Å; L2387-I2391 PolarHBondContact O-N 3.17Å; L2387-I2391 VanDerWaalsContact O-N 3.09Å |
| 2388 | L | 79.6 | Confident | 71.4 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -41.1 | 179.8 | -170.2 | 60.4 | 0 | 0 | 0 | 112.2 | W2333 L2380 Q2384 I2385 S2386 L2390 I2391 S2392 L2487 A2490 W2491 M2494 | W2333-L2388 HydrophobicContact CZ3-CB 4.44Å; L2380-L2388 HydrophobicContact CD1-CD2 3.96Å; Q2384-L2388 VanDerWaalsContact O-CB 3.3Å; Q2384-L2388 WeakPolarHBondContact O-CB 3.33Å; Q2384-L2388 PolarHBondContact O-N 3.2Å; I2385-L2388 PolarHBondContact O-N 3.29Å; S2386-L2388 VanDerWaalsContact C-N 3.33Å; L2388-L2390 VanDerWaalsContact C-N 3.33Å; L2388-L2390 PolarHBondContact O-N 3.2Å; L2388-I2391 PolarHBondContact O-N 3.32Å; L2388-S2392 WeakPolarHBondContact O-CB 3.25Å; L2388-S2392 PolarHBondContact O-N 3.28Å; L2388-S2392 PolarHBondContact O-OG 3.21Å; L2388-L2487 HydrophobicContact CD1-CD1 4.42Å; L2388-A2490 HydrophobicContact CD1-CB 4.46Å; L2388-A2490 HydrophobicContact CD2-CB 3.98Å; L2388-W2491 HydrophobicContact CD1-CB 3.72Å; L2388-W2491 HydrophobicContact CD1-CD2 4.46Å; L2388-W2491 HydrophobicContact CD1-CG 4.14Å; L2388-M2494 HydrophobicContact CB-SD 4.47Å; L2388-M2494 HydrophobicContact CD1-CE 4.24Å; L2388-M2494 HydrophobicContact CD2-CB 4.39Å; L2388-M2494 HydrophobicContact CD2-CE 4.04Å; L2388-M2494 HydrophobicContact CD2-CG 4.27Å; L2388-M2494 HydrophobicContact CD2-SD 3.68Å; L2388-M2494 WeakPolarHBondContact CD2-SD 3.47Å; L2388-M2494 HydrophobicContact CG-CE 3.93Å; L2388-M2494 HydrophobicContact CG-SD 3.97Å |
| 2389 | D | 79.8 | Confident | 71.2 | Confident | 1.5 Ų | 1.5 | 40.5 Ų | 40.5 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 174.6 | -85.6 | -7.5 | 0 | 0 | 0 | 111.6 | W2249 N2253 I2385 S2392 G2393 R2394 Y2396 | W2249-D2389 PolarHBondContact NE1-O 3.1Å; N2253-D2389 PolarHBondContact ND2-OD2 3.34Å; I2385-D2389 WeakPolarHBondContact O-CB 3.29Å; I2385-D2389 PolarHBondContact O-N 3.21Å; D2389-S2392 WeakPolarHBondContact CA-OG 3.2Å; D2389-S2392 PolarHBondContact O-OG 3.35Å; D2389-G2393 CarbonylContact O-C 3.59Å; D2389-G2393 WeakPolarHBondContact O-CA 3.35Å; D2389-G2393 PolarHBondContact O-N 3.21Å; D2389-G2393 VanDerWaalsContact O-N 3.08Å; D2389-R2394 PolarHBondContact O-N 3.23Å; D2389-R2394 WeakPolarHBondContact OD1-CD 3.45Å; D2389-Y2396 PolarHBondContact OD2-OH 3.33Å |
| 2390 | L | 82.6 | Confident | 71.2 | Confident | 3.5 Ų | 3.5 | 44.3 Ų | 44.3 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -53.7 | 175.9 | 176 | 67.8 | 0 | 0 | 0 | 111.6 | I2242 I2245 W2249 I2310 L2314 S2386 L2387 L2388 S2392 G2393 I2404 | I2242-L2390 HydrophobicContact CG2-CD2 4.37Å; I2245-L2390 HydrophobicContact CB-CD2 4.48Å; I2245-L2390 HydrophobicContact CG2-CD1 3.84Å; I2245-L2390 HydrophobicContact CG2-CD2 3.9Å; W2249-L2390 HydrophobicContact CB-CB 4.47Å; W2249-L2390 HydrophobicContact CB-CD1 4.22Å; W2249-L2390 HydrophobicContact CD2-CD1 4.04Å; W2249-L2390 HydrophobicContact CE3-CD1 3.82Å; W2249-L2390 HydrophobicContact CG-CB 4.38Å; W2249-L2390 HydrophobicContact CG-CD1 4.22Å; W2249-L2390 HydrophobicContact CZ3-CD1 4.49Å; I2310-L2390 HydrophobicContact CG2-CD1 3.68Å; L2314-L2390 HydrophobicContact CD1-CD1 4.1Å; L2314-L2390 HydrophobicContact CD1-CD2 4.21Å; L2314-L2390 HydrophobicContact CD1-CG 4.3Å; S2386-L2390 WeakPolarHBondContact O-CB 3.34Å; S2386-L2390 PolarHBondContact O-N 3.26Å; L2387-L2390 WeakPolarHBondContact O-CB 3.34Å; L2387-L2390 PolarHBondContact O-N 3.29Å; L2388-L2390 VanDerWaalsContact C-N 3.33Å; L2388-L2390 PolarHBondContact O-N 3.2Å; L2390-S2392 VanDerWaalsContact C-N 3.33Å; L2390-S2392 PolarHBondContact O-N 2.92Å; L2390-G2393 PolarHBondContact O-N 3.21Å; L2390-I2404 HydrophobicContact CD1-CD1 4.5Å; L2390-I2404 HydrophobicContact CG-CD1 4.48Å; L2390-I2404 WeakPolarHBondContact O-CD1 3.19Å |
| 2391 | I | 81.2 | Confident | 71.1 | Confident | 10.5 Ų | 10.5 | 45.5 Ų | 45.5 | 5% | 0.054 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | -176.2 | -62.3 | 163.4 | 0 | 0 | 0 | 111.1 | T2329 L2387 L2388 G2393 I2404 L2487 W2491 | T2329-I2391 HydrophobicContact CG2-CD1 3.43Å; T2329-I2391 HydrophobicContact CG2-CG1 4.03Å; L2387-I2391 WeakPolarHBondContact O-CD1 3.42Å; L2387-I2391 VanDerWaalsContact O-CG1 3.28Å; L2387-I2391 WeakPolarHBondContact O-CG1 3.29Å; L2387-I2391 PolarHBondContact O-N 3.17Å; L2387-I2391 VanDerWaalsContact O-N 3.09Å; L2388-I2391 PolarHBondContact O-N 3.32Å; I2391-G2393 VanDerWaalsContact C-N 3.29Å; I2391-G2393 PolarHBondContact O-N 3.41Å; I2391-I2404 PolarHBondContact O-N 3.2Å; I2391-L2487 HydrophobicContact CD1-CD1 4.05Å; I2391-L2487 HydrophobicContact CD1-CD2 4.32Å; I2391-W2491 HydrophobicContact CB-CZ3 4.45Å; I2391-W2491 HydrophobicContact CG2-CE3 4.17Å; I2391-W2491 HydrophobicContact CG2-CH2 3.52Å; I2391-W2491 VanDerWaalsContact CG2-CH2 3.46Å; I2391-W2491 HydrophobicContact CG2-CZ2 4.38Å; I2391-W2491 HydrophobicContact CG2-CZ3 3.32Å |
| 2392 | S | 74.4 | Confident | 71.2 | Confident | 0.5 Ų | 0.5 | 42.6 Ų | 42.6 | 0% | 0.003 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.9 | -13.6 | 178.5 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | L2388 D2389 L2390 R2394 G2402 M2494 K2495 | L2388-S2392 WeakPolarHBondContact O-CB 3.25Å; L2388-S2392 PolarHBondContact O-N 3.28Å; L2388-S2392 PolarHBondContact O-OG 3.21Å; D2389-S2392 WeakPolarHBondContact CA-OG 3.2Å; D2389-S2392 PolarHBondContact O-OG 3.35Å; L2390-S2392 VanDerWaalsContact C-N 3.33Å; L2390-S2392 PolarHBondContact O-N 2.92Å; S2392-R2394 VanDerWaalsContact C-N 3.28Å; S2392-R2394 PolarHBondContact O-N 3.11Å; S2392-R2394 WeakPolarHBondContact OG-CB 3.47Å; S2392-R2394 PolarHBondContact OG-N 3.42Å; S2392-G2402 CarbonylContact O-C 3.45Å; S2392-M2494 VanDerWaalsContact CB-CE 3.47Å; S2392-M2494 VanDerWaalsContact OG-CE 3.27Å; S2392-M2494 WeakPolarHBondContact OG-CE 3.45Å; S2392-K2495 PolarHBondContact O-NZ 3.33Å |
| 2393 | G | 73.8 | Confident | 71.7 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 33.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D2389 L2390 I2391 Y2401 G2402 | D2389-G2393 CarbonylContact O-C 3.59Å; D2389-G2393 WeakPolarHBondContact O-CA 3.35Å; D2389-G2393 PolarHBondContact O-N 3.21Å; D2389-G2393 VanDerWaalsContact O-N 3.08Å; L2390-G2393 PolarHBondContact O-N 3.21Å; I2391-G2393 VanDerWaalsContact C-N 3.29Å; I2391-G2393 PolarHBondContact O-N 3.41Å; G2393-Y2401 WeakPolarHBondContact O-CB 3.22Å; G2393-Y2401 PolarHBondContact O-N 3.01Å; G2393-G2402 WeakPolarHBondContact CA-O 3.34Å; G2393-G2402 PolarHBondContact O-N 3.18Å |
| 2394 | R | 71.6 | Confident | 71.8 | Confident | 59.25 Ų | 59.25 | 35 Ų | 35 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | trans | -82.4 | 133.6 | -178.1 | -172.3 | 178 | -177.3 | 177.4 | 0.4 | 110.7 | W2249 N2253 Y2266 M2375 D2389 S2392 M2494 | W2249-R2394 PolarHBondContact NE1-O 2.98Å; N2253-R2394 PolarHBondContact ND2-O 2.96Å; Y2266-R2394 PolarHBondContact OH-NH1 3.4Å; Y2266-R2394 PolarHBondContact OH-NH2 3.25Å; M2375-R2394 VanDerWaalsContact CE-NH2 3.3Å; M2375-R2394 PolarHBondContact SD-NH2 3.24Å; D2389-R2394 PolarHBondContact O-N 3.23Å; D2389-R2394 WeakPolarHBondContact OD1-CD 3.45Å; S2392-R2394 VanDerWaalsContact C-N 3.28Å; S2392-R2394 PolarHBondContact O-N 3.11Å; S2392-R2394 WeakPolarHBondContact OG-CB 3.47Å; S2392-R2394 PolarHBondContact OG-N 3.42Å; R2394-M2494 PolarHBondContact NH1-SD 3.08Å | ||
| 2395 | T | 67.2 | Low | 71.8 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | trans | -130.4 | 156.5 | 172.6 | 72.4 | 0 | 0 | 0 | 0 | 109.4 | W2249 R2307 D2397 K2399 Y2401 | W2249-T2395 HydrophobicContact CH2-CG2 4.35Å; W2249-T2395 HydrophobicContact CZ2-CG2 3.69Å; R2307-T2395 VanDerWaalsContact CD-CG2 3.48Å; T2395-D2397 VanDerWaalsContact C-N 3.29Å; T2395-D2397 PolarHBondContact O-N 3.35Å; T2395-K2399 PolarHBondContact OG1-O 3.1Å; T2395-Y2401 HydrophobicContact CG2-CD2 3.56Å; T2395-Y2401 VanDerWaalsContact CG2-CD2 3.47Å; T2395-Y2401 HydrophobicContact CG2-CE2 3.81Å | ||
| 2396 | Y | 66.9 | Low | 71.9 | Confident | 79.25 Ų | 79.25 | 36.5 Ų | 36.5 | 31% | 0.311 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -85 | 0.9 | 176.6 | -57.5 | -41.2 | 0 | 0 | 0 | 113.4 | N2253 Y2266 D2389 D2398 | N2253-Y2396 HydrophobicContact CB-CD2 3.69Å; N2253-Y2396 HydrophobicContact CB-CE2 3.67Å; N2253-Y2396 HydrophobicContact CB-CG 4.29Å; N2253-Y2396 VanDerWaalsContact O-CD2 3.31Å; N2253-Y2396 WeakPolarHBondContact O-CD2 3.37Å; Y2266-Y2396 HydrophobicContact CD2-CD1 4.44Å; Y2266-Y2396 HydrophobicContact CD2-CD2 4.23Å; Y2266-Y2396 HydrophobicContact CD2-CE1 4.11Å; Y2266-Y2396 AromaticContact CD2-CE2 3.85Å; Y2266-Y2396 HydrophobicContact CD2-CE2 4.11Å; Y2266-Y2396 AromaticContact CD2-CZ 3.86Å; Y2266-Y2396 AromaticContact CE2-CD1 3.94Å; Y2266-Y2396 HydrophobicContact CE2-CD1 3.94Å; Y2266-Y2396 HydrophobicContact CE2-CD2 4.49Å; Y2266-Y2396 AromaticContact CE2-CE1 3.83Å; Y2266-Y2396 HydrophobicContact CE2-CE1 3.83Å; Y2266-Y2396 HydrophobicContact CE2-CE2 4.29Å; Y2266-Y2396 HydrophobicContact CE2-CG 4.37Å; Y2266-Y2396 AromaticContact CE2-CZ 3.8Å; Y2266-Y2396 VanDerWaalsContact CE2-OH 3.27Å; Y2266-Y2396 WeakPolarHBondContact CE2-OH 3.15Å; D2389-Y2396 PolarHBondContact OD2-OH 3.33Å; Y2396-D2398 VanDerWaalsContact C-N 3.32Å; Y2396-D2398 PolarHBondContact O-N 3.25Å |
| 2397 | D | 57.1 | Low | 71.9 | Confident | 36.5 Ų | 36.5 | 37.5 Ų | 37.5 | 20% | 0.195 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -91.9 | 15.8 | -173.4 | -57.1 | -19.4 | 0 | 0 | 0 | 113.9 | C2258 R2307 T2395 K2399 | C2258-D2397 VanDerWaalsContact CA-OD1 3.25Å; C2258-D2397 WeakPolarHBondContact CA-OD1 3.28Å; C2258-D2397 WeakPolarHBondContact CB-OD1 3.32Å; C2258-D2397 VanDerWaalsContact O-OD1 3.1Å; C2258-D2397 VanDerWaalsContact SG-CG 3.51Å; C2258-D2397 PolarHBondContact SG-OD1 3.2Å; C2258-D2397 PolarHBondContact SG-OD2 3.12Å; R2307-D2397 IonicContact CZ-OD2 3.48Å; R2307-D2397 IonicContact NH1-OD2 3.07Å; R2307-D2397 PolarHBondContact NH1-OD2 3.28Å; R2307-D2397 IonicContact NH2-OD2 3.38Å; R2307-D2397 PolarHBondContact NH2-OD2 3.35Å; T2395-D2397 VanDerWaalsContact C-N 3.29Å; T2395-D2397 PolarHBondContact O-N 3.35Å; D2397-K2399 HydrophobicContact CB-CB 4.44Å; D2397-K2399 PolarHBondContact O-N 3.14Å |
| 2398 | D | 55.5 | Low | 71.6 | Confident | 108.5 Ų | 108.5 | 40.3 Ų | 40.3 | 58% | 0.58 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 56.8 | -9.2 | -164.4 | -68.1 | -31.8 | 0 | 0 | 0 | 115.6 | K2262 Y2396 H2400 | K2262-D2398 IonicContact NZ-OD2 3.55Å; K2262-D2398 PolarHBondContact NZ-OD2 3.2Å; Y2396-D2398 VanDerWaalsContact C-N 3.32Å; Y2396-D2398 PolarHBondContact O-N 3.25Å; D2398-H2400 VanDerWaalsContact C-N 3.33Å; D2398-H2400 PolarHBondContact O-N 3.34Å; D2398-H2400 VanDerWaalsContact O-N 3.12Å; D2398-H2400 PolarHBondContact O-ND1 3.15Å |
| 2399 | K | 59.9 | Low | 71.6 | Confident | 128.75 Ų | 128.75 | 43.7 Ų | 43.7 | 56% | 0.56 | 22% | 0.224 | S | C | * | . | trans | -78.3 | 89.1 | 176.5 | -69.9 | -177.2 | -178.8 | 177.3 | 0 | 110.8 | T2395 D2397 Y2401 | T2395-K2399 PolarHBondContact OG1-O 3.1Å; D2397-K2399 HydrophobicContact CB-CB 4.44Å; D2397-K2399 PolarHBondContact O-N 3.14Å; K2399-Y2401 HydrophobicContact CB-CE2 4.37Å; K2399-Y2401 WeakPolarHBondContact O-CD2 3.39Å; K2399-Y2401 PolarHBondContact O-N 3.2Å | ||
| 2400 | H | 63.2 | Low | 71.6 | Confident | 130.5 Ų | 130.5 | 43.9 Ų | 43.9 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | trans | -71.1 | 110.4 | 176.8 | -68.5 | 79.3 | 0 | 0 | 0 | 110.4 | D2398 G2402 | D2398-H2400 VanDerWaalsContact C-N 3.33Å; D2398-H2400 PolarHBondContact O-N 3.34Å; D2398-H2400 VanDerWaalsContact O-N 3.12Å; D2398-H2400 PolarHBondContact O-ND1 3.15Å; H2400-G2402 VanDerWaalsContact C-N 3.27Å; H2400-G2402 PolarHBondContact O-N 3.43Å | ||
| 2401 | Y | 63.6 | Low | 71.5 | Confident | 49.6667 Ų | 49.6667 | 43.8 Ų | 43.8 | 20% | 0.195 | 23% | 0.225 | C | C | . | . | trans | -70.5 | -29.5 | 171.9 | -75.9 | -97.6 | 0 | 0 | 0 | 109.8 | W2249 T2304 R2307 R2311 G2393 T2395 K2399 | W2249-Y2401 HydrophobicContact CH2-CD2 4.32Å; W2249-Y2401 HydrophobicContact CH2-CG 4.3Å; T2304-Y2401 WeakPolarHBondContact CA-OH 3.4Å; T2304-Y2401 PolarHBondContact O-OH 3.42Å; R2307-Y2401 HydrophobicContact CB-CE1 4.04Å; R2307-Y2401 HydrophobicContact CB-CE2 4.25Å; R2307-Y2401 VanDerWaalsContact CD-CE2 3.48Å; R2311-Y2401 VanDerWaalsContact CZ-C 3.44Å; R2311-Y2401 VanDerWaalsContact CZ-CB 3.48Å; R2311-Y2401 VanDerWaalsContact NH1-C 3.27Å; R2311-Y2401 VanDerWaalsContact NH1-CB 3.33Å; R2311-Y2401 PolarHBondContact NH1-O 3.17Å; R2311-Y2401 PolarHBondContact NH2-O 3.07Å; G2393-Y2401 WeakPolarHBondContact O-CB 3.22Å; G2393-Y2401 PolarHBondContact O-N 3.01Å; T2395-Y2401 HydrophobicContact CG2-CD2 3.56Å; T2395-Y2401 VanDerWaalsContact CG2-CD2 3.47Å; T2395-Y2401 HydrophobicContact CG2-CE2 3.81Å; K2399-Y2401 HydrophobicContact CB-CE2 4.37Å; K2399-Y2401 WeakPolarHBondContact O-CD2 3.39Å; K2399-Y2401 PolarHBondContact O-N 3.2Å | ||
| 2402 | G | 70.9 | Confident | 71.4 | Confident | 16.3333 Ų | 16.3333 | 46.9 Ų | 46.9 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | trans | 83.1 | 166.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R2311 S2392 G2393 H2400 | R2311-G2402 VanDerWaalsContact NH2-C 3.34Å; R2311-G2402 PolarHBondContact NH2-O 3.02Å; R2311-G2402 VanDerWaalsContact NH2-O 3.17Å; S2392-G2402 CarbonylContact O-C 3.45Å; G2393-G2402 WeakPolarHBondContact CA-O 3.34Å; G2393-G2402 PolarHBondContact O-N 3.18Å; H2400-G2402 VanDerWaalsContact C-N 3.27Å; H2400-G2402 PolarHBondContact O-N 3.43Å | ||
| 2403 | P | 77.6 | Confident | 71.7 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 24% | 0.24 | 25% | 0.249 | C | C | . | . | trans | -66.3 | 153.1 | -171.7 | 30.9 | -37 | 0 | 0 | 0 | 112 | R2311 I2405 W2491 F2498 | R2311-P2403 PolarHBondContact NH2-O 3.06Å; P2403-I2405 WeakPolarHBondContact CB-O 3.23Å; P2403-W2491 HydrophobicContact CB-CH2 4.43Å; P2403-W2491 HydrophobicContact CB-CZ2 3.87Å; P2403-F2498 HydrophobicContact CB-CE2 4.25Å; P2403-F2498 HydrophobicContact CB-CZ 3.91Å; P2403-F2498 HydrophobicContact CG-CD2 4.44Å; P2403-F2498 HydrophobicContact CG-CE2 3.51Å; P2403-F2498 VanDerWaalsContact CG-CE2 3.5Å; P2403-F2498 HydrophobicContact CG-CZ 3.61Å | ||
| 2404 | I | 74.7 | Confident | 72.1 | Confident | 17.3333 Ų | 17.3333 | 48.3 Ų | 48.3 | 9% | 0.089 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -76.5 | -37 | 177.6 | -59.2 | 178.9 | 0 | 0 | 0 | 110.8 | L2314 A2318 L2325 L2390 I2391 | L2314-I2404 HydrophobicContact CB-CD1 4.16Å; L2314-I2404 HydrophobicContact CB-CG2 4.24Å; L2314-I2404 HydrophobicContact CD1-CD1 3.72Å; A2318-I2404 HydrophobicContact CB-CG2 3.67Å; L2325-I2404 HydrophobicContact CD2-CG2 3.95Å; L2390-I2404 HydrophobicContact CD1-CD1 4.5Å; L2390-I2404 HydrophobicContact CG-CD1 4.48Å; L2390-I2404 WeakPolarHBondContact O-CD1 3.19Å; I2391-I2404 PolarHBondContact O-N 3.2Å |
| 2405 | I | 77.3 | Confident | 72.6 | Confident | 8.33333 Ų | 8.33333 | 48.5 Ų | 48.5 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -106.2 | 138.1 | 178.1 | -48 | 173 | 0 | 0 | 0 | 108.5 | A2318 L2325 L2326 P2403 I2409 L2410 | A2318-I2405 HydrophobicContact CB-CG1 4.25Å; L2325-I2405 HydrophobicContact CD2-CD1 3.95Å; L2325-I2405 HydrophobicContact CD2-CG1 3.97Å; L2325-I2405 HydrophobicContact CG-CD1 4.41Å; L2326-I2405 HydrophobicContact CD2-CD1 4.17Å; L2326-I2405 HydrophobicContact CG-CD1 4.33Å; P2403-I2405 WeakPolarHBondContact CB-O 3.23Å; I2405-I2409 HydrophobicContact CG2-CB 4.05Å; I2405-I2409 HydrophobicContact CG2-CG2 3.85Å; I2405-L2410 HydrophobicContact CB-CB 4.39Å; I2405-L2410 HydrophobicContact CB-CD1 4.46Å; I2405-L2410 HydrophobicContact CD1-CD1 4.47Å; I2405-L2410 HydrophobicContact CG2-CB 3.87Å |
| 2406 | S | 77 | Confident | 73.1 | Confident | 59.3333 Ų | 59.3333 | 51.8 Ų | 51.8 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | trans | -63.9 | 146.2 | 170.1 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | T2408 I2409 L2410 | S2406-T2408 VanDerWaalsContact C-N 3.32Å; S2406-T2408 PolarHBondContact O-N 2.97Å; S2406-T2408 PolarHBondContact OG-OG1 3.03Å; S2406-I2409 PolarHBondContact O-N 3.02Å; S2406-I2409 VanDerWaalsContact O-N 3.09Å; S2406-L2410 WeakPolarHBondContact O-CB 3.32Å; S2406-L2410 PolarHBondContact O-N 3.29Å | ||
| 2407 | S | 73.9 | Confident | 73.6 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -42.6 | -177.8 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | L2410 I2411 F2498 | S2407-L2410 PolarHBondContact O-N 2.94Å; S2407-I2411 WeakPolarHBondContact O-CB 3.32Å; S2407-I2411 WeakPolarHBondContact O-CG1 3.41Å; S2407-I2411 PolarHBondContact O-N 3.03Å; S2407-I2411 VanDerWaalsContact O-N 3.08Å; S2407-F2498 WeakPolarHBondContact CB-O 3.48Å; S2407-F2498 PolarHBondContact OG-O 3.04Å |
| 2408 | T | 76.2 | Confident | 74.7 | Confident | 62.6667 Ų | 62.6667 | 46.6 Ų | 46.6 | 38% | 0.384 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | S2406 L2410 I2411 N2412 L2503 | S2406-T2408 VanDerWaalsContact C-N 3.32Å; S2406-T2408 PolarHBondContact O-N 2.97Å; S2406-T2408 PolarHBondContact OG-OG1 3.03Å; T2408-L2410 VanDerWaalsContact C-N 3.32Å; T2408-L2410 PolarHBondContact O-N 3.14Å; T2408-I2411 PolarHBondContact O-N 3.17Å; T2408-N2412 PolarHBondContact O-N 3.21Å; T2408-N2412 PolarHBondContact O-ND2 3.1Å; T2408-L2503 HydrophobicContact CG2-CD1 3.78Å |
| 2409 | I | 78.8 | Confident | 75.7 | Confident | 73.6667 Ų | 73.6667 | 44.2 Ų | 44.2 | 38% | 0.378 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 179 | -63.2 | 175.8 | 0 | 0 | 0 | 109.7 | P2322 I2405 S2406 I2411 N2413 | P2322-I2409 HydrophobicContact CB-CG2 3.88Å; P2322-I2409 HydrophobicContact CG-CG2 4.09Å; I2405-I2409 HydrophobicContact CG2-CB 4.05Å; I2405-I2409 HydrophobicContact CG2-CG2 3.85Å; S2406-I2409 PolarHBondContact O-N 3.02Å; S2406-I2409 VanDerWaalsContact O-N 3.09Å; I2409-I2411 PolarHBondContact O-N 3.38Å; I2409-N2413 WeakPolarHBondContact CG2-ND2 3.41Å; I2409-N2413 WeakPolarHBondContact O-CB 3.38Å; I2409-N2413 PolarHBondContact O-N 3.22Å; I2409-N2413 VanDerWaalsContact O-N 3.09Å; I2409-N2413 PolarHBondContact O-ND2 3.17Å |
| 2410 | L | 80.5 | Confident | 76.1 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 178.8 | -177.1 | 145.8 | 0 | 0 | 0 | 111.6 | L2326 I2405 S2406 S2407 T2408 N2413 L2414 F2488 W2491 | L2326-L2410 HydrophobicContact CD2-CG 4.25Å; I2405-L2410 HydrophobicContact CB-CB 4.39Å; I2405-L2410 HydrophobicContact CB-CD1 4.46Å; I2405-L2410 HydrophobicContact CD1-CD1 4.47Å; I2405-L2410 HydrophobicContact CG2-CB 3.87Å; S2406-L2410 WeakPolarHBondContact O-CB 3.32Å; S2406-L2410 PolarHBondContact O-N 3.29Å; S2407-L2410 PolarHBondContact O-N 2.94Å; T2408-L2410 VanDerWaalsContact C-N 3.32Å; T2408-L2410 PolarHBondContact O-N 3.14Å; L2410-N2413 PolarHBondContact O-N 3.11Å; L2410-L2414 HydrophobicContact CD2-CD1 4.4Å; L2410-L2414 WeakPolarHBondContact O-CB 3.42Å; L2410-L2414 PolarHBondContact O-N 3.17Å; L2410-F2488 HydrophobicContact CD2-CD2 3.89Å; L2410-F2488 HydrophobicContact CD2-CE2 3.97Å; L2410-W2491 HydrophobicContact CD1-CD2 4.45Å; L2410-W2491 HydrophobicContact CD1-CE3 3.77Å; L2410-W2491 HydrophobicContact CD1-CH2 3.67Å; L2410-W2491 HydrophobicContact CD1-CZ2 4.31Å; L2410-W2491 HydrophobicContact CD1-CZ3 3.49Å; L2410-W2491 HydrophobicContact CG-CZ3 4.45Å |
| 2411 | I | 79.7 | Confident | 76.3 | Confident | 2.33333 Ų | 2.33333 | 37.9 Ų | 37.9 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | -175.6 | -71.3 | 169.1 | 0 | 0 | 0 | 111.4 | S2407 T2408 I2409 L2414 R2415 F2488 I2499 L2503 L2507 | S2407-I2411 WeakPolarHBondContact O-CB 3.32Å; S2407-I2411 WeakPolarHBondContact O-CG1 3.41Å; S2407-I2411 PolarHBondContact O-N 3.03Å; S2407-I2411 VanDerWaalsContact O-N 3.08Å; T2408-I2411 PolarHBondContact O-N 3.17Å; I2409-I2411 PolarHBondContact O-N 3.38Å; I2411-L2414 PolarHBondContact O-N 3.18Å; I2411-R2415 VanDerWaalsContact O-CB 3.26Å; I2411-R2415 WeakPolarHBondContact O-CB 3.37Å; I2411-R2415 PolarHBondContact O-N 3.36Å; I2411-F2488 HydrophobicContact CD1-CE2 4.47Å; I2411-F2488 HydrophobicContact CD1-CZ 4.5Å; I2411-F2488 HydrophobicContact CG1-CE2 3.94Å; I2411-F2488 HydrophobicContact CG1-CZ 4.22Å; I2411-I2499 HydrophobicContact CD1-CB 4.41Å; I2411-I2499 HydrophobicContact CD1-CG1 4.19Å; I2411-I2499 HydrophobicContact CD1-CG2 3.54Å; I2411-I2499 VanDerWaalsContact CD1-CG2 3.47Å; I2411-L2503 HydrophobicContact CD1-CB 3.68Å; I2411-L2503 HydrophobicContact CD1-CD1 4.16Å; I2411-L2503 HydrophobicContact CD1-CG 4.45Å; I2411-L2503 HydrophobicContact CG2-CB 4.33Å; I2411-L2507 HydrophobicContact CB-CD1 4.47Å; I2411-L2507 HydrophobicContact CG1-CD1 4.27Å; I2411-L2507 HydrophobicContact CG2-CB 4.01Å; I2411-L2507 HydrophobicContact CG2-CD1 4.15Å; I2411-L2507 HydrophobicContact CG2-CD2 4.46Å; I2411-L2507 HydrophobicContact CG2-CG 4.44Å |
| 2412 | N | 80.4 | Confident | 76.3 | Confident | 75.6667 Ų | 75.6667 | 39.7 Ų | 39.7 | 41% | 0.405 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.4 | -46.2 | 178.8 | -71.6 | -21.8 | 0 | 0 | 0 | 112 | T2408 L2414 R2415 D2416 | T2408-N2412 PolarHBondContact O-N 3.21Å; T2408-N2412 PolarHBondContact O-ND2 3.1Å; N2412-L2414 VanDerWaalsContact C-N 3.34Å; N2412-L2414 PolarHBondContact O-N 3Å; N2412-R2415 WeakPolarHBondContact O-CB 3.39Å; N2412-R2415 PolarHBondContact O-N 3.19Å; N2412-D2416 PolarHBondContact O-N 2.99Å; N2412-D2416 VanDerWaalsContact O-N 3.16Å |
| 2413 | N | 80.4 | Confident | 75.9 | Confident | 30 Ų | 30 | 44 Ų | 44 | 16% | 0.16 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.4 | -32.3 | 179.1 | -70.9 | -59.1 | 0 | 0 | 0 | 112.3 | P2322 D2323 L2326 I2409 L2410 D2416 S2417 | P2322-N2413 HydrophobicContact CB-CB 4.35Å; P2322-N2413 WeakPolarHBondContact CB-ND2 3.43Å; P2322-N2413 HydrophobicContact CG-CB 4.29Å; P2322-N2413 VanDerWaalsContact CG-CG 3.43Å; P2322-N2413 WeakPolarHBondContact CG-ND2 3.25Å; P2322-N2413 WeakPolarHBondContact CG-OD1 3.36Å; D2323-N2413 WeakPolarHBondContact OD1-CB 3.44Å; D2323-N2413 PolarHBondContact OD1-OD1 3.1Å; L2326-N2413 HydrophobicContact CD1-CB 3.79Å; I2409-N2413 WeakPolarHBondContact CG2-ND2 3.41Å; I2409-N2413 WeakPolarHBondContact O-CB 3.38Å; I2409-N2413 PolarHBondContact O-N 3.22Å; I2409-N2413 VanDerWaalsContact O-N 3.09Å; I2409-N2413 PolarHBondContact O-ND2 3.17Å; L2410-N2413 PolarHBondContact O-N 3.11Å; N2413-D2416 PolarHBondContact O-N 3.24Å; N2413-S2417 WeakPolarHBondContact O-CB 3.38Å; N2413-S2417 PolarHBondContact O-N 2.96Å; N2413-S2417 PolarHBondContact O-OG 3.12Å |
| 2414 | L | 82.5 | Confident | 75.2 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 172.1 | -177.4 | 154 | 0 | 0 | 0 | 111.2 | L2326 L2410 I2411 N2412 D2416 S2417 I2418 F2488 L2507 | L2326-L2414 HydrophobicContact CD1-CB 4.39Å; L2326-L2414 VanDerWaalsContact CD2-CA 3.46Å; L2326-L2414 HydrophobicContact CD2-CB 3.75Å; L2326-L2414 HydrophobicContact CD2-CG 4.28Å; L2410-L2414 HydrophobicContact CD2-CD1 4.4Å; L2410-L2414 WeakPolarHBondContact O-CB 3.42Å; L2410-L2414 PolarHBondContact O-N 3.17Å; I2411-L2414 PolarHBondContact O-N 3.18Å; N2412-L2414 VanDerWaalsContact C-N 3.34Å; N2412-L2414 PolarHBondContact O-N 3Å; L2414-D2416 VanDerWaalsContact C-N 3.33Å; L2414-D2416 PolarHBondContact O-N 3.03Å; L2414-S2417 PolarHBondContact O-N 3.25Å; L2414-I2418 HydrophobicContact CD2-CD1 3.45Å; L2414-I2418 VanDerWaalsContact CD2-CD1 3.4Å; L2414-I2418 HydrophobicContact CD2-CG1 4.31Å; L2414-I2418 HydrophobicContact CG-CD1 4.03Å; L2414-I2418 WeakPolarHBondContact O-CB 3.32Å; L2414-I2418 VanDerWaalsContact O-CG1 3.29Å; L2414-I2418 WeakPolarHBondContact O-CG1 3.37Å; L2414-I2418 PolarHBondContact O-N 3.4Å; L2414-F2488 HydrophobicContact CD1-CB 3.6Å; L2414-F2488 HydrophobicContact CD1-CD1 4.44Å; L2414-F2488 HydrophobicContact CD1-CD2 3.68Å; L2414-F2488 HydrophobicContact CD1-CE2 4.47Å; L2414-F2488 HydrophobicContact CD1-CG 3.72Å; L2414-L2507 HydrophobicContact CD2-CD1 3.72Å; L2414-L2507 HydrophobicContact CD2-CD2 3.99Å; L2414-L2507 HydrophobicContact CD2-CG 4.42Å |
| 2415 | R | 81.1 | Confident | 74.7 | Confident | 62 Ų | 62 | 47.9 Ų | 47.9 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.5 | -48.5 | 175 | 175.8 | -168.7 | -177.9 | -145.3 | 11.4 | 110.9 | I2411 N2412 I2418 R2419 L2507 D2510 | I2411-R2415 VanDerWaalsContact O-CB 3.26Å; I2411-R2415 WeakPolarHBondContact O-CB 3.37Å; I2411-R2415 PolarHBondContact O-N 3.36Å; N2412-R2415 WeakPolarHBondContact O-CB 3.39Å; N2412-R2415 PolarHBondContact O-N 3.19Å; R2415-I2418 PolarHBondContact O-N 3.1Å; R2415-R2419 VanDerWaalsContact O-CB 3.32Å; R2415-R2419 WeakPolarHBondContact O-CB 3.38Å; R2415-R2419 VanDerWaalsContact O-CG 3.27Å; R2415-R2419 WeakPolarHBondContact O-CG 3.31Å; R2415-R2419 PolarHBondContact O-N 3.03Å; R2415-R2419 VanDerWaalsContact O-N 3.17Å; R2415-L2507 HydrophobicContact CB-CD1 3.88Å; R2415-D2510 HydrophobicContact CG-CB 4.17Å; R2415-D2510 VanDerWaalsContact CZ-CG 3.44Å; R2415-D2510 IonicContact CZ-OD1 3.48Å; R2415-D2510 IonicContact CZ-OD2 2.91Å; R2415-D2510 IonicContact NE-OD1 3.74Å; R2415-D2510 IonicContact NE-OD2 3.09Å; R2415-D2510 PolarHBondContact NE-OD2 3.15Å; R2415-D2510 IonicContact NH1-OD2 3.23Å; R2415-D2510 VanDerWaalsContact NH2-CG 3.27Å; R2415-D2510 IonicContact NH2-OD1 3.3Å; R2415-D2510 PolarHBondContact NH2-OD1 3.07Å; R2415-D2510 IonicContact NH2-OD2 3.44Å; R2415-D2510 PolarHBondContact NH2-OD2 3.24Å |
| 2416 | D | 78.6 | Confident | 74.1 | Confident | 76.3333 Ų | 76.3333 | 51 Ų | 51 | 41% | 0.408 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.9 | -39 | -178.5 | -69.3 | -22.5 | 0 | 0 | 0 | 112.1 | N2412 N2413 L2414 I2418 R2419 R2420 | N2412-D2416 PolarHBondContact O-N 2.99Å; N2412-D2416 VanDerWaalsContact O-N 3.16Å; N2413-D2416 PolarHBondContact O-N 3.24Å; L2414-D2416 VanDerWaalsContact C-N 3.33Å; L2414-D2416 PolarHBondContact O-N 3.03Å; D2416-I2418 VanDerWaalsContact C-N 3.34Å; D2416-I2418 PolarHBondContact O-N 3.16Å; D2416-R2419 PolarHBondContact O-N 3.04Å; D2416-R2420 CarbonylContact O-C 3.52Å; D2416-R2420 PolarHBondContact O-N 3.09Å |
| 2417 | S | 77.2 | Confident | 73.6 | Confident | 5.33333 Ų | 5.33333 | 48.2 Ų | 48.2 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 175.4 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | D2323 N2413 L2414 P2421 | D2323-S2417 PolarHBondContact OD1-OG 2.92Å; N2413-S2417 WeakPolarHBondContact O-CB 3.38Å; N2413-S2417 PolarHBondContact O-N 2.96Å; N2413-S2417 PolarHBondContact O-OG 3.12Å; L2414-S2417 PolarHBondContact O-N 3.25Å; S2417-P2421 VanDerWaalsContact O-CA 3.26Å; S2417-P2421 WeakPolarHBondContact O-CA 3.47Å; S2417-P2421 VanDerWaalsContact O-CB 3.27Å; S2417-P2421 WeakPolarHBondContact O-CB 3.4Å; S2417-P2421 WeakPolarHBondContact O-CD 3.26Å |
| 2418 | I | 78.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.5 | -41.1 | 176.5 | -66.1 | 176.3 | 0 | 0 | 0 | 110.9 | L2414 R2415 D2416 Q2481 L2484 L2485 L2511 L2514 L2544 | L2414-I2418 HydrophobicContact CD2-CD1 3.45Å; L2414-I2418 VanDerWaalsContact CD2-CD1 3.4Å; L2414-I2418 HydrophobicContact CD2-CG1 4.31Å; L2414-I2418 HydrophobicContact CG-CD1 4.03Å; L2414-I2418 WeakPolarHBondContact O-CB 3.32Å; L2414-I2418 VanDerWaalsContact O-CG1 3.29Å; L2414-I2418 WeakPolarHBondContact O-CG1 3.37Å; L2414-I2418 PolarHBondContact O-N 3.4Å; R2415-I2418 PolarHBondContact O-N 3.1Å; D2416-I2418 VanDerWaalsContact C-N 3.34Å; D2416-I2418 PolarHBondContact O-N 3.16Å; I2418-Q2481 HydrophobicContact CG2-CG 4.23Å; I2418-Q2481 PolarHBondContact O-NE2 3.22Å; I2418-L2484 HydrophobicContact CD1-CB 4.32Å; I2418-L2484 HydrophobicContact CG1-CB 4.23Å; I2418-L2484 HydrophobicContact CG1-CD1 4.08Å; I2418-L2485 HydrophobicContact CD1-CB 4.4Å; I2418-L2485 HydrophobicContact CD1-CD1 4.23Å; I2418-L2485 HydrophobicContact CD1-CD2 3.61Å; I2418-L2485 HydrophobicContact CD1-CG 3.89Å; I2418-L2511 HydrophobicContact CB-CD2 3.97Å; I2418-L2511 HydrophobicContact CD1-CD1 4.4Å; I2418-L2511 HydrophobicContact CD1-CD2 4.11Å; I2418-L2511 HydrophobicContact CG2-CD2 3.6Å; I2418-L2514 HydrophobicContact CG2-CD2 4.21Å; I2418-L2544 HydrophobicContact CG2-CD1 4.22Å |
| 2419 | R | 76.4 | Confident | 72.9 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 22% | 0.219 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69 | -41.6 | -179.1 | -77.6 | -178.9 | 158.9 | -171.5 | -8.5 | 113.5 | R2415 D2416 D2510 L2514 | R2415-R2419 VanDerWaalsContact O-CB 3.32Å; R2415-R2419 WeakPolarHBondContact O-CB 3.38Å; R2415-R2419 VanDerWaalsContact O-CG 3.27Å; R2415-R2419 WeakPolarHBondContact O-CG 3.31Å; R2415-R2419 PolarHBondContact O-N 3.03Å; R2415-R2419 VanDerWaalsContact O-N 3.17Å; D2416-R2419 PolarHBondContact O-N 3.04Å; R2419-D2510 VanDerWaalsContact CZ-CB 3.49Å; R2419-D2510 VanDerWaalsContact CZ-O 3.32Å; R2419-D2510 IonicContact CZ-OD1 3.26Å; R2419-D2510 PolarHBondContact NE-O 2.82Å; R2419-D2510 VanDerWaalsContact NE-O 3.15Å; R2419-D2510 IonicContact NH1-OD1 3.26Å; R2419-D2510 PolarHBondContact NH1-OD1 3.08Å; R2419-D2510 VanDerWaalsContact NH2-CB 3.28Å; R2419-D2510 VanDerWaalsContact NH2-CG 3.26Å; R2419-D2510 PolarHBondContact NH2-O 3.08Å; R2419-D2510 IonicContact NH2-OD1 2.71Å; R2419-D2510 PolarHBondContact NH2-OD1 3.23Å; R2419-L2514 HydrophobicContact CB-CD1 4.42Å; R2419-L2514 HydrophobicContact CG-CD1 3.8Å |
| 2420 | R | 70.1 | Confident | 72.5 | Confident | 125.333 Ų | 125.333 | 44 Ų | 44 | 47% | 0.473 | 22% | 0.223 | S | C | . | . | trans | -140.7 | 68.9 | -173.5 | -62.7 | -178.6 | -179.1 | 162.4 | -2.3 | 109.7 | D2416 L2422 N2423 | D2416-R2420 CarbonylContact O-C 3.52Å; D2416-R2420 PolarHBondContact O-N 3.09Å; R2420-L2422 PolarHBondContact O-N 3.1Å; R2420-L2422 VanDerWaalsContact O-N 3.08Å; R2420-N2423 HydrophobicContact CB-CB 3.91Å; R2420-N2423 WeakPolarHBondContact CD-OD1 3.38Å; R2420-N2423 VanDerWaalsContact O-CB 3.29Å; R2420-N2423 WeakPolarHBondContact O-CB 3.46Å; R2420-N2423 PolarHBondContact O-N 3.38Å | ||
| 2421 | P | 66.1 | Low | 71.9 | Confident | 3.33333 Ų | 3.33333 | 43.9 Ų | 43.9 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.6 | -178.4 | 25.2 | -35.3 | 0 | 0 | 0 | 113.4 | S2417 L2477 L2480 L2542 | S2417-P2421 VanDerWaalsContact O-CA 3.26Å; S2417-P2421 WeakPolarHBondContact O-CA 3.47Å; S2417-P2421 VanDerWaalsContact O-CB 3.27Å; S2417-P2421 WeakPolarHBondContact O-CB 3.4Å; S2417-P2421 WeakPolarHBondContact O-CD 3.26Å; P2421-L2477 HydrophobicContact CB-CD1 3.42Å; P2421-L2477 HydrophobicContact CB-CG 4.19Å; P2421-L2477 HydrophobicContact CG-CD1 3.35Å; P2421-L2477 HydrophobicContact CG-CD2 3.92Å; P2421-L2477 HydrophobicContact CG-CG 3.54Å; P2421-L2477 VanDerWaalsContact CG-CG 3.43Å; P2421-L2480 HydrophobicContact CB-CD2 4.37Å; P2421-L2542 HydrophobicContact CG-CD1 3.73Å |
| 2422 | L | 63.8 | Low | 71.2 | Confident | 87 Ų | 87 | 48.2 Ų | 48.2 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 5.1 | 176.2 | -67.4 | 167.7 | 0 | 0 | 0 | 114.3 | R2420 N2424 V2428 I2431 L2477 | R2420-L2422 PolarHBondContact O-N 3.1Å; R2420-L2422 VanDerWaalsContact O-N 3.08Å; L2422-N2424 VanDerWaalsContact C-N 3.26Å; L2422-N2424 PolarHBondContact O-N 2.89Å; L2422-V2428 HydrophobicContact CD2-CG2 3.75Å; L2422-I2431 HydrophobicContact CD2-CD1 3.99Å; L2422-L2477 HydrophobicContact CD1-CD2 3.84Å; L2422-L2477 HydrophobicContact CD2-CD1 4.38Å; L2422-L2477 HydrophobicContact CG-CD1 4.42Å; L2422-L2477 HydrophobicContact CG-CD2 4.11Å |
| 2423 | N | 62.3 | Low | 70.5 | Confident | 105.333 Ų | 105.333 | 46.6 Ų | 46.6 | 56% | 0.563 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -58.7 | -37 | 178.7 | -143.3 | 29 | 0 | 0 | 0 | 111.4 | R2420 S2425 | R2420-N2423 HydrophobicContact CB-CB 3.91Å; R2420-N2423 WeakPolarHBondContact CD-OD1 3.38Å; R2420-N2423 VanDerWaalsContact O-CB 3.29Å; R2420-N2423 WeakPolarHBondContact O-CB 3.46Å; R2420-N2423 PolarHBondContact O-N 3.38Å; N2423-S2425 PolarHBondContact O-N 3.26Å |
| 2424 | N | 63.1 | Low | 69.6 | Low | 49.3333 Ų | 49.3333 | 45.9 Ų | 45.9 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -95.6 | 84.3 | 175.7 | -69.8 | -26.6 | 0 | 0 | 0 | 109.6 | D2323 L2422 F2426 L2427 | D2323-N2424 PolarHBondContact OD2-ND2 3.37Å; L2422-N2424 VanDerWaalsContact C-N 3.26Å; L2422-N2424 PolarHBondContact O-N 2.89Å; N2424-F2426 HydrophobicContact CB-CD1 3.78Å; N2424-F2426 HydrophobicContact CB-CE1 3.5Å; N2424-F2426 VanDerWaalsContact CB-CE1 3.49Å; N2424-F2426 HydrophobicContact CB-CZ 4.27Å; N2424-F2426 PolarHBondContact O-N 3.12Å; N2424-L2427 HydrophobicContact CB-CB 4.42Å; N2424-L2427 HydrophobicContact CB-CD1 3.7Å; N2424-L2427 HydrophobicContact CB-CG 3.89Å; N2424-L2427 WeakPolarHBondContact O-CB 3.26Å; N2424-L2427 PolarHBondContact O-N 3.15Å |
| 2425 | S | 63.6 | Low | 68.2 | Low | 88.3333 Ų | 88.3333 | 52.2 Ų | 52.2 | 62% | 0.618 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -51.5 | -27.4 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 113.2 | N2423 L2427 V2428 | N2423-S2425 PolarHBondContact O-N 3.26Å; S2425-L2427 VanDerWaalsContact C-N 3.27Å; S2425-L2427 PolarHBondContact O-N 3.14Å; S2425-V2428 WeakPolarHBondContact O-CB 3.48Å; S2425-V2428 VanDerWaalsContact O-CG2 3.24Å; S2425-V2428 WeakPolarHBondContact O-CG2 3.26Å; S2425-V2428 PolarHBondContact O-N 3.18Å |
| 2426 | F | 65.8 | Low | 66 | Low | 72.3333 Ų | 72.3333 | 52.1 Ų | 52.1 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -62.8 | -21.1 | 174.7 | 109.1 | -99.5 | 0 | 0 | 0 | 114.5 | Q2231 L2235 N2424 P2429 | Q2231-F2426 HydrophobicContact CG-CE2 3.77Å; Q2231-F2426 HydrophobicContact CG-CZ 3.73Å; L2235-F2426 HydrophobicContact CD1-CD1 4.02Å; L2235-F2426 HydrophobicContact CD1-CD2 4.04Å; L2235-F2426 HydrophobicContact CD1-CE1 3.69Å; L2235-F2426 HydrophobicContact CD1-CE2 3.63Å; L2235-F2426 HydrophobicContact CD1-CG 4.17Å; L2235-F2426 HydrophobicContact CD1-CZ 3.5Å; L2235-F2426 VanDerWaalsContact CD1-CZ 3.5Å; L2235-F2426 HydrophobicContact CD2-CD1 4.34Å; L2235-F2426 HydrophobicContact CD2-CD2 4.44Å; L2235-F2426 HydrophobicContact CD2-CE1 3.66Å; L2235-F2426 HydrophobicContact CD2-CE2 4.44Å; L2235-F2426 HydrophobicContact CD2-CZ 4.02Å; L2235-F2426 HydrophobicContact CG-CE1 4.28Å; L2235-F2426 HydrophobicContact CG-CZ 4.23Å; N2424-F2426 HydrophobicContact CB-CD1 3.78Å; N2424-F2426 HydrophobicContact CB-CE1 3.5Å; N2424-F2426 VanDerWaalsContact CB-CE1 3.49Å; N2424-F2426 HydrophobicContact CB-CZ 4.27Å; N2424-F2426 PolarHBondContact O-N 3.12Å; F2426-P2429 WeakPolarHBondContact O-CD 3.38Å |
| 2427 | L | 67.4 | Low | 64 | Low | 1.33333 Ų | 1.33333 | 52.9 Ų | 52.9 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -92.9 | -8.4 | -178.8 | -60.5 | 178.6 | 0 | 0 | 0 | 113.4 | L2235 D2323 L2324 I2327 N2424 S2425 P2429 I2430 I2431 | L2235-L2427 HydrophobicContact CD2-CD2 4.47Å; D2323-L2427 HydrophobicContact CB-CD1 4.07Å; L2324-L2427 HydrophobicContact CB-CD2 4.15Å; L2324-L2427 HydrophobicContact CD1-CD2 3.58Å; L2324-L2427 VanDerWaalsContact CD1-CD2 3.49Å; L2324-L2427 HydrophobicContact CG-CD2 4.38Å; I2327-L2427 HydrophobicContact CD1-CB 4.44Å; I2327-L2427 HydrophobicContact CD1-CD1 3.68Å; I2327-L2427 VanDerWaalsContact CD1-CD1 3.45Å; N2424-L2427 HydrophobicContact CB-CB 4.42Å; N2424-L2427 HydrophobicContact CB-CD1 3.7Å; N2424-L2427 HydrophobicContact CB-CG 3.89Å; N2424-L2427 WeakPolarHBondContact O-CB 3.26Å; N2424-L2427 PolarHBondContact O-N 3.15Å; S2425-L2427 VanDerWaalsContact C-N 3.27Å; S2425-L2427 PolarHBondContact O-N 3.14Å; L2427-P2429 VanDerWaalsContact C-CD 3.41Å; L2427-P2429 VanDerWaalsContact C-N 3.31Å; L2427-I2430 HydrophobicContact CD2-CD1 3.83Å; L2427-I2430 WeakPolarHBondContact O-CA 3.19Å; L2427-I2430 WeakPolarHBondContact O-CB 3.34Å; L2427-I2430 PolarHBondContact O-N 3.1Å; L2427-I2431 PolarHBondContact O-N 3.11Å; L2427-I2431 VanDerWaalsContact O-N 3.11Å |
| 2428 | V | 69.7 | Low | 61.8 | Low | 41.6667 Ų | 41.6667 | 59.7 Ų | 59.7 | 25% | 0.253 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -51.4 | -40.7 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 113.2 | L2422 S2425 I2430 I2431 N2432 | L2422-V2428 HydrophobicContact CD2-CG2 3.75Å; S2425-V2428 WeakPolarHBondContact O-CB 3.48Å; S2425-V2428 VanDerWaalsContact O-CG2 3.24Å; S2425-V2428 WeakPolarHBondContact O-CG2 3.26Å; S2425-V2428 PolarHBondContact O-N 3.18Å; V2428-I2430 PolarHBondContact O-N 3.21Å; V2428-I2431 PolarHBondContact O-N 3.04Å; V2428-N2432 WeakPolarHBondContact O-CB 3.45Å; V2428-N2432 VanDerWaalsContact O-CG 3.32Å; V2428-N2432 PolarHBondContact O-N 3.32Å |
| 2429 | P | 65.3 | Low | 59.3 | Low | 31.3333 Ų | 31.3333 | 68.3 Ų | 68.3 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.2 | -32.5 | 176.1 | -25.4 | 35.9 | 0 | 0 | 0 | 113.6 | M2232 F2426 L2427 T2433 | M2232-P2429 HydrophobicContact CE-CG 4.12Å; F2426-P2429 WeakPolarHBondContact O-CD 3.38Å; L2427-P2429 VanDerWaalsContact C-CD 3.41Å; L2427-P2429 VanDerWaalsContact C-N 3.31Å; P2429-T2433 VanDerWaalsContact O-CG2 3.27Å; P2429-T2433 WeakPolarHBondContact O-CG2 3.28Å; P2429-T2433 PolarHBondContact O-N 3.17Å |
| 2430 | I | 69.3 | Low | 56.9 | Low | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76.4 | -41.6 | 179.1 | -43.4 | -170.9 | 0 | 0 | 0 | 110.4 | L2235 P2239 L2324 I2327 T2328 V2331 L2427 V2428 N2432 T2433 | L2235-I2430 HydrophobicContact CB-CD1 3.98Å; L2235-I2430 HydrophobicContact CB-CG1 4.02Å; L2235-I2430 HydrophobicContact CD2-CD1 4.05Å; L2235-I2430 WeakPolarHBondContact O-CD1 3.34Å; L2235-I2430 WeakPolarHBondContact O-CG1 3.24Å; P2239-I2430 HydrophobicContact CG-CG2 3.82Å; L2324-I2430 HydrophobicContact CD1-CD1 3.28Å; I2327-I2430 HydrophobicContact CG2-CG2 4.41Å; T2328-I2430 HydrophobicContact CG2-CD1 3.64Å; T2328-I2430 HydrophobicContact CG2-CG2 3.79Å; V2331-I2430 HydrophobicContact CB-CG2 4.46Å; V2331-I2430 HydrophobicContact CG2-CG2 4.2Å; L2427-I2430 HydrophobicContact CD2-CD1 3.83Å; L2427-I2430 WeakPolarHBondContact O-CA 3.19Å; L2427-I2430 WeakPolarHBondContact O-CB 3.34Å; L2427-I2430 PolarHBondContact O-N 3.1Å; V2428-I2430 PolarHBondContact O-N 3.21Å; I2430-N2432 VanDerWaalsContact C-N 3.26Å; I2430-N2432 PolarHBondContact O-N 3.18Å; I2430-T2433 WeakPolarHBondContact O-CB 3.45Å; I2430-T2433 PolarHBondContact O-N 3Å; I2430-T2433 VanDerWaalsContact O-N 3.15Å; I2430-T2433 PolarHBondContact O-OG1 3.01Å |
| 2431 | I | 67.5 | Low | 54.9 | Low | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 176.9 | -58.5 | 176.7 | 0 | 0 | 0 | 110.1 | I2327 L2422 L2427 V2428 T2433 I2434 N2476 L2477 L2480 | I2327-I2431 HydrophobicContact CG2-CG1 4.19Å; L2422-I2431 HydrophobicContact CD2-CD1 3.99Å; L2427-I2431 PolarHBondContact O-N 3.11Å; L2427-I2431 VanDerWaalsContact O-N 3.11Å; V2428-I2431 PolarHBondContact O-N 3.04Å; I2431-T2433 PolarHBondContact O-N 3.04Å; I2431-I2434 HydrophobicContact CG2-CD1 4.41Å; I2431-I2434 WeakPolarHBondContact O-CB 3.41Å; I2431-I2434 WeakPolarHBondContact O-CD1 3.27Å; I2431-I2434 VanDerWaalsContact O-CG1 3.28Å; I2431-I2434 WeakPolarHBondContact O-CG1 3.37Å; I2431-I2434 PolarHBondContact O-N 3.38Å; I2431-I2434 VanDerWaalsContact O-N 3.16Å; I2431-N2476 HydrophobicContact CG2-CB 4.42Å; I2431-L2477 HydrophobicContact CD1-CD1 4.12Å; I2431-L2477 HydrophobicContact CG2-CD1 4.1Å; I2431-L2480 HydrophobicContact CD1-CD2 4.1Å; I2431-L2480 HydrophobicContact CG1-CD2 4.02Å |
| 2432 | N | 66.6 | Low | 53 | Low | 91.6667 Ų | 91.6667 | 77 Ų | 77 | 49% | 0.49 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -13.6 | 177.3 | -71.1 | -13.8 | 0 | 0 | 0 | 114.1 | V2428 I2430 I2434 | V2428-N2432 WeakPolarHBondContact O-CB 3.45Å; V2428-N2432 VanDerWaalsContact O-CG 3.32Å; V2428-N2432 PolarHBondContact O-N 3.32Å; I2430-N2432 VanDerWaalsContact C-N 3.26Å; I2430-N2432 PolarHBondContact O-N 3.18Å; N2432-I2434 VanDerWaalsContact C-N 3.33Å; N2432-I2434 PolarHBondContact O-N 3.2Å |
| 2433 | T | 65 | Low | 51.2 | Low | 43.6667 Ų | 43.6667 | 78.2 Ų | 78.2 | 27% | 0.268 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.5 | 172.3 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | R2236 V2331 P2429 I2430 I2431 Q2435 C2436 | R2236-T2433 HydrophobicContact CG-CG2 3.55Å; R2236-T2433 VanDerWaalsContact CG-CG2 3.47Å; V2331-T2433 WeakPolarHBondContact CG1-OG1 3.44Å; P2429-T2433 VanDerWaalsContact O-CG2 3.27Å; P2429-T2433 WeakPolarHBondContact O-CG2 3.28Å; P2429-T2433 PolarHBondContact O-N 3.17Å; I2430-T2433 WeakPolarHBondContact O-CB 3.45Å; I2430-T2433 PolarHBondContact O-N 3Å; I2430-T2433 VanDerWaalsContact O-N 3.15Å; I2430-T2433 PolarHBondContact O-OG1 3.01Å; I2431-T2433 PolarHBondContact O-N 3.04Å; T2433-Q2435 VanDerWaalsContact C-N 3.3Å; T2433-Q2435 PolarHBondContact O-N 3.15Å; T2433-C2436 PolarHBondContact O-N 3.4Å |
| 2434 | I | 61.4 | Low | 49.4 | Very low | 15 Ų | 15 | 77.8 Ų | 77.8 | 8% | 0.077 | 44% | 0.437 | C | S | . | . | trans | -61.1 | 60.2 | 172.1 | -60.7 | 173.1 | 0 | 0 | 0 | 109.1 | V2331 I2431 N2432 C2436 N2476 R2479 L2480 | V2331-I2434 HydrophobicContact CB-CG1 4.37Å; V2331-I2434 HydrophobicContact CG1-CG1 3.94Å; V2331-I2434 HydrophobicContact CG2-CD1 3.92Å; V2331-I2434 HydrophobicContact CG2-CG1 3.8Å; I2431-I2434 HydrophobicContact CG2-CD1 4.41Å; I2431-I2434 WeakPolarHBondContact O-CB 3.41Å; I2431-I2434 WeakPolarHBondContact O-CD1 3.27Å; I2431-I2434 VanDerWaalsContact O-CG1 3.28Å; I2431-I2434 WeakPolarHBondContact O-CG1 3.37Å; I2431-I2434 PolarHBondContact O-N 3.38Å; I2431-I2434 VanDerWaalsContact O-N 3.16Å; N2432-I2434 VanDerWaalsContact C-N 3.33Å; N2432-I2434 PolarHBondContact O-N 3.2Å; I2434-C2436 PolarHBondContact O-N 2.85Å; I2434-N2476 HydrophobicContact CB-CB 4.19Å; I2434-N2476 HydrophobicContact CD1-CB 4.26Å; I2434-N2476 WeakPolarHBondContact CD1-O 3.36Å; I2434-N2476 HydrophobicContact CG2-CB 4.28Å; I2434-N2476 VanDerWaalsContact O-CG 3.28Å; I2434-N2476 PolarHBondContact O-ND2 3.25Å; I2434-N2476 PolarHBondContact O-OD1 3.29Å; I2434-N2476 VanDerWaalsContact O-OD1 3.09Å; I2434-R2479 HydrophobicContact CG2-CG 4.49Å; I2434-L2480 HydrophobicContact CD1-CB 4.14Å | ||
| 2435 | Q | 52.5 | Low | 47.6 | Very low | 133.667 Ų | 133.667 | 80.9 Ų | 80.9 | 63% | 0.625 | 46% | 0.463 | S | S | * | . | trans | -79.6 | 92.2 | -179 | -160 | 166.6 | -30 | 0 | 0 | 110.9 | T2433 S2437 N2472 N2476 R2479 | T2433-Q2435 VanDerWaalsContact C-N 3.3Å; T2433-Q2435 PolarHBondContact O-N 3.15Å; Q2435-S2437 VanDerWaalsContact C-N 3.26Å; Q2435-S2437 PolarHBondContact O-N 3.15Å; Q2435-S2437 VanDerWaalsContact O-N 3.16Å; Q2435-N2472 PolarHBondContact NE2-ND2 2.87Å; Q2435-N2472 VanDerWaalsContact OE1-CB 3.24Å; Q2435-N2476 PolarHBondContact OE1-ND2 3.38Å; Q2435-N2476 VanDerWaalsContact OE1-ND2 3.07Å; Q2435-R2479 PolarHBondContact O-NH1 3.35Å | ||
| 2436 | C | 36.6 | Very low | 45.8 | Very low | 60 Ų | 60 | 82.7 Ų | 82.7 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | trans | -92.6 | 88.2 | 171.9 | -72.5 | 0 | 0 | 0 | 0 | 109.6 | T2433 I2434 Y2438 N2476 | T2433-C2436 PolarHBondContact O-N 3.4Å; I2434-C2436 PolarHBondContact O-N 2.85Å; C2436-Y2438 VanDerWaalsContact C-N 3.27Å; C2436-Y2438 HydrophobicContact CB-CD2 4.19Å; C2436-Y2438 HydrophobicContact CB-CE2 4.43Å; C2436-Y2438 PolarHBondContact O-N 3.33Å; C2436-N2476 PolarHBondContact SG-OD1 3.27Å; C2436-N2476 VanDerWaalsContact SG-OD1 3.36Å | ||
| 2437 | S | 34.8 | Very low | 43.8 | Very low | 94 Ų | 94 | 87.4 Ų | 87.4 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | trans | -88.1 | 56.1 | 172.2 | -97.9 | 0 | 0 | 0 | 0 | 111 | Q2435 H2439 | Q2435-S2437 VanDerWaalsContact C-N 3.26Å; Q2435-S2437 PolarHBondContact O-N 3.15Å; Q2435-S2437 VanDerWaalsContact O-N 3.16Å; S2437-H2439 VanDerWaalsContact C-N 3.31Å | ||
| 2438 | Y | 31.1 | Very low | 41.8 | Very low | 148 Ų | 148 | 89.8 Ų | 89.8 | 58% | 0.58 | 52% | 0.521 | S | S | * | . | trans | -97.9 | 27.4 | 172.7 | -99.4 | -85.8 | 0 | 0 | 0 | 112.4 | I2340 E2341 C2436 | I2340-Y2438 HydrophobicContact CD1-CE2 4.3Å; I2340-Y2438 HydrophobicContact CG2-CE2 4.46Å; E2341-Y2438 PolarHBondContact OE1-OH 3.01Å; C2436-Y2438 VanDerWaalsContact C-N 3.27Å; C2436-Y2438 HydrophobicContact CB-CD2 4.19Å; C2436-Y2438 HydrophobicContact CB-CE2 4.43Å; C2436-Y2438 PolarHBondContact O-N 3.33Å | ||
| 2439 | H | 26.9 | Very low | 39.6 | Very low | 180.333 Ų | 180.333 | 93.4 Ų | 93.4 | 84% | 0.835 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -137.5 | 42.6 | -177.8 | -121.1 | -74.6 | 0 | 0 | 0 | 118.3 | S2437 T2443 | S2437-H2439 VanDerWaalsContact C-N 3.31Å; H2439-T2443 PolarHBondContact O-OG1 3.02Å |
| 2440 | S | 25.7 | Very low | 37.7 | Very low | 90 Ų | 90 | 102.4 Ų | 102.4 | 63% | 0.629 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -153.9 | 26.1 | 175.3 | 162.7 | 0 | 0 | 0 | 0 | 117.2 | ||
| 2441 | T | 27.7 | Very low | 35.5 | Very low | 111.667 Ų | 111.667 | 106.5 Ų | 106.5 | 69% | 0.685 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -122.1 | 20.3 | 172.2 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | T2443 | T2441-T2443 VanDerWaalsContact C-N 3.29Å; T2441-T2443 PolarHBondContact O-N 3.39Å |
| 2442 | L | 26.4 | Very low | 33.6 | Very low | 166.667 Ų | 166.667 | 111.8 Ų | 111.8 | 87% | 0.873 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -120.3 | 21 | 177.9 | -92 | 160.1 | 0 | 0 | 0 | 112.7 | ||
| 2443 | T | 26.2 | Very low | 31.5 | Very low | 112.333 Ų | 112.333 | 111.7 Ų | 111.7 | 69% | 0.689 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -140.1 | 60.8 | 175.8 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | H2439 T2441 S2445 | H2439-T2443 PolarHBondContact O-OG1 3.02Å; T2441-T2443 VanDerWaalsContact C-N 3.29Å; T2441-T2443 PolarHBondContact O-N 3.39Å; T2443-S2445 PolarHBondContact O-N 3.27Å |
| 2444 | S | 25.1 | Very low | 29.7 | Very low | 96.6667 Ų | 96.6667 | 118.7 Ų | 118.7 | 68% | 0.676 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -93.2 | 51.8 | 167.1 | 63.7 | 0 | 0 | 0 | 0 | 115.9 | T2446 | S2444-T2446 PolarHBondContact O-N 3.11Š|
| 2445 | S | 24.1 | Very low | 27.9 | Very low | 114.667 Ų | 114.667 | 126.3 Ų | 126.3 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -86.9 | 47.5 | 162.6 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | T2443 | T2443-S2445 PolarHBondContact O-N 3.27Š|
| 2446 | T | 25.8 | Very low | 26.7 | Very low | 127.333 Ų | 127.333 | 127.1 Ų | 127.1 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | trans | -138.5 | 91.2 | 160.4 | 41.7 | 0 | 0 | 0 | 0 | 111 | S2444 G2448 | S2444-T2446 PolarHBondContact O-N 3.11Å; T2446-G2448 PolarHBondContact O-N 3Å | ||
| 2447 | M | 24.8 | Very low | 26.1 | Very low | 170 Ų | 170 | 133 Ų | 133 | 84% | 0.837 | 74% | 0.742 | S | S | * | * | trans | -65.5 | 99 | 168.7 | -71.1 | -99.1 | 112 | 0 | 0 | 110 | R1908 Y2450 | R1908-M2447 PolarHBondContact NH2-O 2.82Å; M2447-Y2450 HydrophobicContact SD-CD2 4.37Å; M2447-Y2450 HydrophobicContact SD-CE2 3.95Å | ||
| 2448 | G | 24.3 | Very low | 25.6 | Very low | 52.6667 Ų | 52.6667 | 134.6 Ų | 134.6 | 54% | 0.543 | 75% | 0.748 | S | S | . | * | trans | -154.3 | 133.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T2446 Y2450 | T2446-G2448 PolarHBondContact O-N 3Å; G2448-Y2450 WeakPolarHBondContact O-CD2 3.43Å; G2448-Y2450 PolarHBondContact O-N 3.23Å | ||
| 2449 | S | 24.1 | Very low | 25.3 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | 14.5 | 96.3 | 176.2 | 59.3 | 0 | 0 | 0 | 0 | 116.3 | S2451 | S2449-S2451 PolarHBondContact O-N 2.94Š| ||
| 2450 | Y | 25.6 | Very low | 25.1 | Very low | 220.333 Ų | 220.333 | 131.1 Ų | 131.1 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -86.5 | 105.9 | 159.2 | -80.5 | -86.4 | 0 | 0 | 0 | 109.8 | M2447 G2448 P2452 | M2447-Y2450 HydrophobicContact SD-CD2 4.37Å; M2447-Y2450 HydrophobicContact SD-CE2 3.95Å; G2448-Y2450 WeakPolarHBondContact O-CD2 3.43Å; G2448-Y2450 PolarHBondContact O-N 3.23Å; Y2450-P2452 WeakPolarHBondContact O-CD 3.41Å | ||
| 2451 | S | 23.1 | Very low | 25.2 | Very low | 86.6667 Ų | 86.6667 | 134.4 Ų | 134.4 | 61% | 0.606 | 76% | 0.762 | S | S | * | * | trans | -99.1 | 122.3 | 167 | -33.8 | 0 | 0 | 0 | 0 | 108.6 | S2449 S2453 | S2449-S2451 PolarHBondContact O-N 2.94Å; S2451-S2453 VanDerWaalsContact C-N 3.28Å; S2451-S2453 PolarHBondContact O-N 3.33Å; S2451-S2453 PolarHBondContact O-OG 3.12Å | ||
| 2452 | P | 27 | Very low | 25.1 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -83.2 | 85.1 | -174.6 | 32.9 | -31.6 | 0 | 0 | 0 | 110.1 | W1916 Y2450 | W1916-P2452 HydrophobicContact CZ2-CB 4.48Å; W1916-P2452 HydrophobicContact CZ2-CG 3.87Å; W1916-P2452 WeakPolarHBondContact CZ2-O 3.38Å; Y2450-P2452 WeakPolarHBondContact O-CD 3.41Å | ||
| 2453 | S | 23.8 | Very low | 25 | Very low | 90.6667 Ų | 90.6667 | 132.5 Ų | 132.5 | 63% | 0.634 | 76% | 0.762 | S | S | * | * | trans | -149.4 | 40.7 | 177.6 | 36.1 | 0 | 0 | 0 | 0 | 112.7 | S2451 | S2451-S2453 VanDerWaalsContact C-N 3.28Å; S2451-S2453 PolarHBondContact O-N 3.33Å; S2451-S2453 PolarHBondContact O-OG 3.12Å | ||
| 2454 | Q | 26.3 | Very low | 24.9 | Very low | 190.667 Ų | 190.667 | 131 Ų | 131 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -145.8 | 25.6 | 166.5 | -97.5 | 173.6 | 9.6 | 0 | 0 | 114.1 | I2456 | Q2454-I2456 VanDerWaalsContact C-N 3.27Å; Q2454-I2456 PolarHBondContact O-N 3.19Å |
| 2455 | E | 24.7 | Very low | 24.9 | Very low | 174.333 Ų | 174.333 | 131.7 Ų | 131.7 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | -105.8 | 23.5 | 173.7 | -99.7 | -171.6 | 167.5 | 0 | 0 | 113.4 | R2466 | E2455-R2466 IonicContact OE1-CZ 3.38Å; E2455-R2466 IonicContact OE1-NH1 2.63Å; E2455-R2466 PolarHBondContact OE1-NH1 3.18Å; E2455-R2466 IonicContact OE1-NH2 2.68Å; E2455-R2466 PolarHBondContact OE1-NH2 3.3Å | ||
| 2456 | I | 25.8 | Very low | 25 | Very low | 149.333 Ų | 149.333 | 136.7 Ų | 136.7 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -116.4 | 53.7 | 176 | -54.7 | 177.8 | 0 | 0 | 0 | 110.6 | Q2454 | Q2454-I2456 VanDerWaalsContact C-N 3.27Å; Q2454-I2456 PolarHBondContact O-N 3.19Å |
| 2457 | Q | 24.4 | Very low | 25.1 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -167.8 | 31.4 | 174.5 | -88.2 | 176.9 | 9 | 0 | 0 | 117.2 | ||
| 2458 | T | 24.6 | Very low | 25.2 | Very low | 127.667 Ų | 127.667 | 135.6 Ų | 135.6 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -126.9 | 44.9 | 167.2 | 42.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2459 | S | 24.2 | Very low | 25.6 | Very low | 106.333 Ų | 106.333 | 136.9 Ų | 136.9 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -123.8 | 64.1 | 167.2 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 2460 | L | 24 | Very low | 26.2 | Very low | 148.667 Ų | 148.667 | 137.3 Ų | 137.3 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -158 | 60.8 | -173.7 | -91.3 | 156.2 | 0 | 0 | 0 | 114.6 | ||
| 2461 | I | 27 | Very low | 26.9 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | trans | -159.7 | 79 | 169.5 | -49.3 | 179.5 | 0 | 0 | 0 | 111 | S2463 | I2461-S2463 PolarHBondContact O-N 2.91Š| ||
| 2462 | T | 26.7 | Very low | 28.4 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -83.5 | 92.3 | 153.3 | 20.3 | 0 | 0 | 0 | 0 | 112.4 | G2464 | T2462-G2464 PolarHBondContact O-N 2.73Š| ||
| 2463 | S | 23.3 | Very low | 29.9 | Very low | 110.333 Ų | 110.333 | 124.2 Ų | 124.2 | 77% | 0.772 | 70% | 0.701 | S | S | * | * | trans | -36.4 | 109 | 153.5 | 54 | 0 | 0 | 0 | 0 | 112.6 | I2461 S2465 | I2461-S2463 PolarHBondContact O-N 2.91Å; S2463-S2465 PolarHBondContact O-N 3.2Å; S2463-S2465 VanDerWaalsContact O-N 3.15Å | ||
| 2464 | G | 24.8 | Very low | 31.9 | Very low | 81 Ų | 81 | 120.1 Ų | 120.1 | 84% | 0.835 | 67% | 0.673 | S | S | * | * | trans | 32 | 99.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | T2462 | T2462-G2464 PolarHBondContact O-N 2.73Š| ||
| 2465 | S | 24.8 | Very low | 33.8 | Very low | 112 Ų | 112 | 112.2 Ų | 112.2 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | trans | -73.1 | 99.9 | 161.2 | -171.8 | 0 | 0 | 0 | 0 | 112.9 | S2463 V2467 | S2463-S2465 PolarHBondContact O-N 3.2Å; S2463-S2465 VanDerWaalsContact O-N 3.15Å; S2465-V2467 PolarHBondContact O-N 3.21Å | ||
| 2466 | R | 26.7 | Very low | 36 | Very low | 219.333 Ų | 219.333 | 104.3 Ų | 104.3 | 83% | 0.828 | 60% | 0.6 | S | S | * | * | trans | -80.6 | 108.6 | 160.8 | -84.8 | -177.7 | -118.6 | -162.5 | -4.8 | 109.2 | E2455 M2468 | E2455-R2466 IonicContact OE1-CZ 3.38Å; E2455-R2466 IonicContact OE1-NH1 2.63Å; E2455-R2466 PolarHBondContact OE1-NH1 3.18Å; E2455-R2466 IonicContact OE1-NH2 2.68Å; E2455-R2466 PolarHBondContact OE1-NH2 3.3Å; R2466-M2468 PolarHBondContact O-N 3.07Å | ||
| 2467 | V | 27.4 | Very low | 38.4 | Very low | 130 Ų | 130 | 97.6 Ų | 97.6 | 79% | 0.788 | 57% | 0.566 | S | S | * | * | trans | -74.1 | 98.9 | 174.9 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | S2465 S2469 | S2465-V2467 PolarHBondContact O-N 3.21Å; V2467-S2469 VanDerWaalsContact C-N 3.27Å; V2467-S2469 PolarHBondContact O-N 2.86Å | ||
| 2468 | M | 26.6 | Very low | 40.8 | Very low | 144 Ų | 144 | 89.3 Ų | 89.3 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | trans | -87.1 | 85.2 | 166.7 | -72.3 | -175.3 | 73.2 | 0 | 0 | 108.6 | R2466 N2470 T2471 M2526 | R2466-M2468 PolarHBondContact O-N 3.07Å; M2468-N2470 VanDerWaalsContact C-N 3.29Å; M2468-N2470 PolarHBondContact O-N 2.99Å; M2468-T2471 HydrophobicContact CE-CG2 3.59Å; M2468-T2471 PolarHBondContact O-OG1 3.2Å; M2468-M2526 HydrophobicContact CE-CE 3.95Å; M2468-M2526 HydrophobicContact CE-SD 4.41Å | ||
| 2469 | S | 33.5 | Very low | 43.2 | Very low | 81.3333 Ų | 81.3333 | 85.4 Ų | 85.4 | 57% | 0.569 | 50% | 0.498 | S | S | * | . | trans | -42.7 | 10.2 | 176.1 | 57.2 | 0 | 0 | 0 | 0 | 115.6 | V2467 T2471 | V2467-S2469 VanDerWaalsContact C-N 3.27Å; V2467-S2469 PolarHBondContact O-N 2.86Å; S2469-T2471 PolarHBondContact O-N 3.39Å | ||
| 2470 | N | 36.6 | Very low | 45.9 | Very low | 123.667 Ų | 123.667 | 80.3 Ų | 80.3 | 66% | 0.661 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -88.8 | -9.5 | -177.4 | -78.1 | 5.4 | 0 | 0 | 0 | 114.7 | M2468 N2472 S2473 | M2468-N2470 VanDerWaalsContact C-N 3.29Å; M2468-N2470 PolarHBondContact O-N 2.99Å; N2470-N2472 VanDerWaalsContact C-N 3.29Å; N2470-N2472 PolarHBondContact O-N 2.6Å; N2470-S2473 PolarHBondContact O-OG 3.46Å |
| 2471 | T | 40.7 | Very low | 48.7 | Very low | 33 Ų | 33 | 73.3 Ų | 73.3 | 20% | 0.202 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -74.8 | -23.5 | -173.4 | 47.7 | 0 | 0 | 0 | 0 | 114.5 | M2468 S2469 M2526 | M2468-T2471 HydrophobicContact CE-CG2 3.59Å; M2468-T2471 PolarHBondContact O-OG1 3.2Å; S2469-T2471 PolarHBondContact O-N 3.39Å; T2471-M2526 HydrophobicContact CG2-CE 4.17Å; T2471-M2526 HydrophobicContact CG2-SD 3.92Å |
| 2472 | N | 53.8 | Low | 51.2 | Low | 66 Ų | 66 | 65.9 Ų | 65.9 | 35% | 0.353 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -87.7 | -13.6 | -169.6 | -63.9 | -6.6 | 0 | 0 | 0 | 113.8 | Q2435 N2470 G2474 I2475 N2476 | Q2435-N2472 PolarHBondContact NE2-ND2 2.87Å; Q2435-N2472 VanDerWaalsContact OE1-CB 3.24Å; N2470-N2472 VanDerWaalsContact C-N 3.29Å; N2470-N2472 PolarHBondContact O-N 2.6Å; N2472-G2474 VanDerWaalsContact C-N 3.35Å; N2472-G2474 PolarHBondContact O-N 3.04Å; N2472-I2475 PolarHBondContact O-N 3.05Å; N2472-N2476 WeakPolarHBondContact O-CB 3.31Å; N2472-N2476 VanDerWaalsContact O-CG 3.28Å; N2472-N2476 PolarHBondContact O-N 3.01Å; N2472-N2476 VanDerWaalsContact O-N 3.11Å; N2472-N2476 PolarHBondContact O-ND2 3.1Å |
| 2473 | S | 59.3 | Low | 53.9 | Low | 48.6667 Ų | 48.6667 | 60.2 Ų | 60.2 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | -174.4 | 59.6 | 0 | 0 | 0 | 0 | 113 | N2470 N2476 L2477 T2529 | N2470-S2473 PolarHBondContact O-OG 3.46Å; S2473-N2476 PolarHBondContact O-N 3Å; S2473-L2477 WeakPolarHBondContact O-CB 3.48Å; S2473-L2477 PolarHBondContact O-N 3.14Å; S2473-L2477 VanDerWaalsContact O-N 3.15Å; S2473-T2529 VanDerWaalsContact OG-CG2 3.32Å; S2473-T2529 WeakPolarHBondContact OG-CG2 3.44Å |
| 2474 | G | 64.3 | Low | 56.9 | Low | 5.66667 Ų | 5.66667 | 54.9 Ų | 54.9 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N2472 N2476 L2477 I2478 | N2472-G2474 VanDerWaalsContact C-N 3.35Å; N2472-G2474 PolarHBondContact O-N 3.04Å; G2474-N2476 PolarHBondContact O-N 3.41Å; G2474-L2477 VanDerWaalsContact O-CB 3.29Å; G2474-L2477 WeakPolarHBondContact O-CB 3.2Å; G2474-L2477 PolarHBondContact O-N 3.04Å; G2474-L2477 VanDerWaalsContact O-N 3.16Å; G2474-I2478 WeakPolarHBondContact O-CG1 3.31Å; G2474-I2478 PolarHBondContact O-N 3.19Å; G2474-I2478 VanDerWaalsContact O-N 3.09Å |
| 2475 | I | 67.1 | Low | 59.7 | Low | 24.6667 Ų | 24.6667 | 51.1 Ų | 51.1 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -44 | 178.4 | -62.2 | 172.3 | 0 | 0 | 0 | 110.3 | I2340 N2472 L2477 I2478 R2479 H2522 I2525 | I2340-I2475 HydrophobicContact CG1-CG2 4.39Å; I2340-I2475 HydrophobicContact CG2-CD1 4.49Å; I2340-I2475 HydrophobicContact CG2-CG2 3.95Å; N2472-I2475 PolarHBondContact O-N 3.05Å; I2475-L2477 PolarHBondContact O-N 3.25Å; I2475-I2478 PolarHBondContact O-N 3.21Å; I2475-R2479 WeakPolarHBondContact O-CB 3.29Å; I2475-R2479 PolarHBondContact O-N 3.09Å; I2475-H2522 VanDerWaalsContact CD1-CE1 3.45Å; I2475-H2522 WeakPolarHBondContact CD1-CE1 3.45Å; I2475-I2525 HydrophobicContact CD1-CG2 4.45Å; I2475-I2525 HydrophobicContact CG1-CG2 4.14Å |
| 2476 | N | 71.1 | Confident | 62.6 | Low | 8.33333 Ų | 8.33333 | 45.9 Ų | 45.9 | 5% | 0.045 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -34.8 | 175.2 | -72.1 | -14.3 | 0 | 0 | 0 | 112 | I2431 I2434 Q2435 C2436 N2472 S2473 G2474 L2480 | I2431-N2476 HydrophobicContact CG2-CB 4.42Å; I2434-N2476 HydrophobicContact CB-CB 4.19Å; I2434-N2476 HydrophobicContact CD1-CB 4.26Å; I2434-N2476 WeakPolarHBondContact CD1-O 3.36Å; I2434-N2476 HydrophobicContact CG2-CB 4.28Å; I2434-N2476 VanDerWaalsContact O-CG 3.28Å; I2434-N2476 PolarHBondContact O-ND2 3.25Å; I2434-N2476 PolarHBondContact O-OD1 3.29Å; I2434-N2476 VanDerWaalsContact O-OD1 3.09Å; Q2435-N2476 PolarHBondContact OE1-ND2 3.38Å; Q2435-N2476 VanDerWaalsContact OE1-ND2 3.07Å; C2436-N2476 PolarHBondContact SG-OD1 3.27Å; C2436-N2476 VanDerWaalsContact SG-OD1 3.36Å; N2472-N2476 WeakPolarHBondContact O-CB 3.31Å; N2472-N2476 VanDerWaalsContact O-CG 3.28Å; N2472-N2476 PolarHBondContact O-N 3.01Å; N2472-N2476 VanDerWaalsContact O-N 3.11Å; N2472-N2476 PolarHBondContact O-ND2 3.1Å; S2473-N2476 PolarHBondContact O-N 3Å; G2474-N2476 PolarHBondContact O-N 3.41Å; N2476-L2480 WeakPolarHBondContact O-CB 3.42Å; N2476-L2480 PolarHBondContact O-N 3.21Å |
| 2477 | L | 75.6 | Confident | 65.3 | Low | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.6 | -42.7 | -179.1 | -152 | 52 | 0 | 0 | 0 | 112.9 | P2421 L2422 I2431 S2473 G2474 I2475 R2479 L2480 Q2481 L2542 | P2421-L2477 HydrophobicContact CB-CD1 3.42Å; P2421-L2477 HydrophobicContact CB-CG 4.19Å; P2421-L2477 HydrophobicContact CG-CD1 3.35Å; P2421-L2477 HydrophobicContact CG-CD2 3.92Å; P2421-L2477 HydrophobicContact CG-CG 3.54Å; P2421-L2477 VanDerWaalsContact CG-CG 3.43Å; L2422-L2477 HydrophobicContact CD1-CD2 3.84Å; L2422-L2477 HydrophobicContact CD2-CD1 4.38Å; L2422-L2477 HydrophobicContact CG-CD1 4.42Å; L2422-L2477 HydrophobicContact CG-CD2 4.11Å; I2431-L2477 HydrophobicContact CD1-CD1 4.12Å; I2431-L2477 HydrophobicContact CG2-CD1 4.1Å; S2473-L2477 WeakPolarHBondContact O-CB 3.48Å; S2473-L2477 PolarHBondContact O-N 3.14Å; S2473-L2477 VanDerWaalsContact O-N 3.15Å; G2474-L2477 VanDerWaalsContact O-CB 3.29Å; G2474-L2477 WeakPolarHBondContact O-CB 3.2Å; G2474-L2477 PolarHBondContact O-N 3.04Å; G2474-L2477 VanDerWaalsContact O-N 3.16Å; I2475-L2477 PolarHBondContact O-N 3.25Å; L2477-R2479 VanDerWaalsContact C-N 3.32Å; L2477-L2480 HydrophobicContact CD1-CD2 4.36Å; L2477-L2480 WeakPolarHBondContact O-CB 3.39Å; L2477-L2480 PolarHBondContact O-N 3.14Å; L2477-Q2481 WeakPolarHBondContact O-CG 3.22Å; L2477-Q2481 PolarHBondContact O-N 2.98Å; L2477-Q2481 VanDerWaalsContact O-N 3.08Å; L2477-L2542 HydrophobicContact CD2-CD1 3.18Å; L2477-L2542 HydrophobicContact CD2-CD2 4.08Å; L2477-L2542 HydrophobicContact CD2-CG 4.24Å; L2477-L2542 HydrophobicContact CG-CD1 3.84Å |
| 2478 | I | 74.5 | Confident | 68.1 | Low | 10.6667 Ų | 10.6667 | 29.7 Ų | 29.7 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -41 | 173.5 | -66 | 166.5 | 0 | 0 | 0 | 110.5 | F2338 G2474 I2475 L2480 Q2481 T2482 I2517 Y2520 I2525 | F2338-I2478 HydrophobicContact CE1-CG2 4.46Å; F2338-I2478 HydrophobicContact CE2-CG2 3.77Å; F2338-I2478 HydrophobicContact CZ-CB 4.47Å; F2338-I2478 HydrophobicContact CZ-CG2 3.64Å; G2474-I2478 WeakPolarHBondContact O-CG1 3.31Å; G2474-I2478 PolarHBondContact O-N 3.19Å; G2474-I2478 VanDerWaalsContact O-N 3.09Å; I2475-I2478 PolarHBondContact O-N 3.21Å; I2478-L2480 VanDerWaalsContact C-N 3.32Å; I2478-L2480 PolarHBondContact O-N 2.83Å; I2478-Q2481 PolarHBondContact O-N 3Å; I2478-T2482 WeakPolarHBondContact O-CB 3.25Å; I2478-T2482 PolarHBondContact O-N 3.08Å; I2478-T2482 PolarHBondContact O-OG1 3.42Å; I2478-I2517 HydrophobicContact CD1-CD1 3.74Å; I2478-I2517 HydrophobicContact CG1-CD1 4.17Å; I2478-Y2520 WeakPolarHBondContact CG2-OH 3.49Å; I2478-I2525 HydrophobicContact CD1-CG2 4.38Å |
| 2479 | R | 75.8 | Confident | 70.8 | Confident | 44.3333 Ų | 44.3333 | 23.1 Ų | 23.1 | 17% | 0.167 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 174.6 | -176.5 | 173.5 | 174.9 | 173.3 | 0.3 | 111.4 | N2335 F2338 D2339 I2434 Q2435 I2475 L2477 T2482 N2483 | N2335-R2479 PolarHBondContact ND2-NH2 3.42Å; N2335-R2479 PolarHBondContact OD1-NE 3.07Å; F2338-R2479 HydrophobicContact CD1-CB 3.98Å; F2338-R2479 HydrophobicContact CD1-CG 4.25Å; F2338-R2479 HydrophobicContact CE1-CB 4.29Å; D2339-R2479 VanDerWaalsContact CG-CZ 3.45Å; D2339-R2479 VanDerWaalsContact CG-NH1 3.28Å; D2339-R2479 IonicContact OD1-CZ 3.2Å; D2339-R2479 IonicContact OD1-NE 3.38Å; D2339-R2479 IonicContact OD1-NH1 2.79Å; D2339-R2479 PolarHBondContact OD1-NH1 3.3Å; D2339-R2479 IonicContact OD1-NH2 3.44Å; D2339-R2479 PolarHBondContact OD1-NH2 3.44Å; D2339-R2479 IonicContact OD2-CZ 2.91Å; D2339-R2479 IonicContact OD2-NH1 2.75Å; D2339-R2479 PolarHBondContact OD2-NH1 2.9Å; D2339-R2479 IonicContact OD2-NH2 3.54Å; D2339-R2479 PolarHBondContact OD2-NH2 3.32Å; I2434-R2479 HydrophobicContact CG2-CG 4.49Å; Q2435-R2479 PolarHBondContact O-NH1 3.35Å; I2475-R2479 WeakPolarHBondContact O-CB 3.29Å; I2475-R2479 PolarHBondContact O-N 3.09Å; L2477-R2479 VanDerWaalsContact C-N 3.32Å; R2479-T2482 PolarHBondContact O-N 3.16Å; R2479-N2483 WeakPolarHBondContact O-CB 3.33Å; R2479-N2483 PolarHBondContact O-N 3.28Å |
| 2480 | L | 80.9 | Confident | 73 | Confident | 0.666667 Ų | 0.666667 | 19.3 Ų | 19.3 | 0% | 0.003 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 175.3 | 179.6 | 66.4 | 0 | 0 | 0 | 112 | I2327 A2330 V2331 P2421 I2431 I2434 N2476 L2477 I2478 T2482 N2483 L2484 | I2327-L2480 HydrophobicContact CD1-CD2 4.2Å; I2327-L2480 HydrophobicContact CG1-CD2 4.37Å; I2327-L2480 HydrophobicContact CG2-CD1 4.16Å; I2327-L2480 HydrophobicContact CG2-CD2 4.16Å; A2330-L2480 HydrophobicContact CB-CD1 3.68Å; V2331-L2480 HydrophobicContact CG2-CD1 4.01Å; P2421-L2480 HydrophobicContact CB-CD2 4.37Å; I2431-L2480 HydrophobicContact CD1-CD2 4.1Å; I2431-L2480 HydrophobicContact CG1-CD2 4.02Å; I2434-L2480 HydrophobicContact CD1-CB 4.14Å; N2476-L2480 WeakPolarHBondContact O-CB 3.42Å; N2476-L2480 PolarHBondContact O-N 3.21Å; L2477-L2480 HydrophobicContact CD1-CD2 4.36Å; L2477-L2480 WeakPolarHBondContact O-CB 3.39Å; L2477-L2480 PolarHBondContact O-N 3.14Å; I2478-L2480 VanDerWaalsContact C-N 3.32Å; I2478-L2480 PolarHBondContact O-N 2.83Å; L2480-T2482 VanDerWaalsContact C-N 3.31Å; L2480-T2482 PolarHBondContact O-N 3.33Å; L2480-N2483 PolarHBondContact O-N 3.24Å; L2480-L2484 HydrophobicContact CD1-CD1 4.36Å; L2480-L2484 HydrophobicContact CD1-CG 4.4Å; L2480-L2484 HydrophobicContact CG-CD1 4.04Å; L2480-L2484 HydrophobicContact CG-CG 4.49Å; L2480-L2484 WeakPolarHBondContact O-CB 3.34Å; L2480-L2484 VanDerWaalsContact O-CG 3.28Å; L2480-L2484 WeakPolarHBondContact O-CG 3.39Å; L2480-L2484 PolarHBondContact O-N 3Å |
| 2481 | Q | 81.9 | Confident | 75.1 | Confident | 1.33333 Ų | 1.33333 | 13.8 Ų | 13.8 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 176.7 | -71.6 | 174.5 | -34.8 | 0 | 0 | 111.7 | I2418 L2477 I2478 L2484 L2485 G2543 L2544 | I2418-Q2481 HydrophobicContact CG2-CG 4.23Å; I2418-Q2481 PolarHBondContact O-NE2 3.22Å; L2477-Q2481 WeakPolarHBondContact O-CG 3.22Å; L2477-Q2481 PolarHBondContact O-N 2.98Å; L2477-Q2481 VanDerWaalsContact O-N 3.08Å; I2478-Q2481 PolarHBondContact O-N 3Å; Q2481-L2484 PolarHBondContact O-N 3.23Å; Q2481-L2485 WeakPolarHBondContact O-CG 3.39Å; Q2481-L2485 PolarHBondContact O-N 3.03Å; Q2481-L2485 VanDerWaalsContact O-N 3.11Å; Q2481-G2543 PolarHBondContact OE1-O 3.33Å; Q2481-L2544 HydrophobicContact CB-CD1 4.5Å |
| 2482 | T | 80.8 | Confident | 77.1 | Confident | 3.66667 Ų | 3.66667 | 12.4 Ų | 12.4 | 2% | 0.022 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 179.6 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | F2338 I2478 R2479 L2480 L2484 L2485 H2486 S2545 A2547 I2551 | F2338-T2482 HydrophobicContact CB-CG2 3.96Å; F2338-T2482 HydrophobicContact CD2-CG2 4.1Å; F2338-T2482 HydrophobicContact CE2-CG2 4.33Å; F2338-T2482 HydrophobicContact CG-CG2 4.45Å; I2478-T2482 WeakPolarHBondContact O-CB 3.25Å; I2478-T2482 PolarHBondContact O-N 3.08Å; I2478-T2482 PolarHBondContact O-OG1 3.42Å; R2479-T2482 PolarHBondContact O-N 3.16Å; L2480-T2482 VanDerWaalsContact C-N 3.31Å; L2480-T2482 PolarHBondContact O-N 3.33Å; T2482-L2484 PolarHBondContact O-N 3.46Å; T2482-L2485 PolarHBondContact O-N 3.04Å; T2482-H2486 WeakPolarHBondContact O-CB 3.4Å; T2482-H2486 PolarHBondContact O-N 3.27Å; T2482-S2545 PolarHBondContact OG1-OG 3.15Å; T2482-S2545 VanDerWaalsContact OG1-OG 3.06Å; T2482-A2547 HydrophobicContact CG2-CB 3.85Å; T2482-I2551 HydrophobicContact CG2-CD1 3.96Å |
| 2483 | N | 83 | Confident | 78.3 | Confident | 6.66667 Ų | 6.66667 | 10.1 Ų | 10.1 | 4% | 0.036 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.8 | -79.6 | 2.4 | 0 | 0 | 0 | 112.5 | A2330 W2333 N2335 R2479 L2480 L2485 H2486 L2487 | A2330-N2483 HydrophobicContact CB-CB 4.23Å; A2330-N2483 WeakPolarHBondContact O-CB 3.5Å; A2330-N2483 PolarHBondContact O-ND2 3.04Å; W2333-N2483 HydrophobicContact CB-CB 4.41Å; W2333-N2483 PolarHBondContact O-ND2 3.39Å; N2335-N2483 PolarHBondContact OD1-ND2 3.32Å; N2335-N2483 VanDerWaalsContact OD1-ND2 3.1Å; R2479-N2483 WeakPolarHBondContact O-CB 3.33Å; R2479-N2483 PolarHBondContact O-N 3.28Å; L2480-N2483 PolarHBondContact O-N 3.24Å; N2483-L2485 VanDerWaalsContact C-N 3.32Å; N2483-L2485 PolarHBondContact O-N 2.86Å; N2483-H2486 PolarHBondContact O-N 3.37Å; N2483-L2487 VanDerWaalsContact O-CB 3.24Å; N2483-L2487 WeakPolarHBondContact O-CB 3.34Å; N2483-L2487 PolarHBondContact O-N 3.14Å |
| 2484 | L | 85 | Confident | 78.9 | Confident | 0.666667 Ų | 0.666667 | 9.5 Ų | 9.5 | 0% | 0.003 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 175.5 | -77.9 | 168.1 | 0 | 0 | 0 | 111.6 | L2326 A2330 I2418 L2480 Q2481 T2482 F2488 | L2326-L2484 HydrophobicContact CB-CD2 4.07Å; L2326-L2484 HydrophobicContact CD1-CD2 4Å; L2326-L2484 HydrophobicContact CD2-CD2 3.92Å; L2326-L2484 HydrophobicContact CG-CD2 3.51Å; L2326-L2484 WeakPolarHBondContact O-CD2 3.49Å; A2330-L2484 HydrophobicContact CB-CB 4.46Å; A2330-L2484 HydrophobicContact CB-CD2 3.54Å; A2330-L2484 VanDerWaalsContact CB-CD2 3.47Å; A2330-L2484 HydrophobicContact CB-CG 3.64Å; I2418-L2484 HydrophobicContact CD1-CB 4.32Å; I2418-L2484 HydrophobicContact CG1-CB 4.23Å; I2418-L2484 HydrophobicContact CG1-CD1 4.08Å; L2480-L2484 HydrophobicContact CD1-CD1 4.36Å; L2480-L2484 HydrophobicContact CD1-CG 4.4Å; L2480-L2484 HydrophobicContact CG-CD1 4.04Å; L2480-L2484 HydrophobicContact CG-CG 4.49Å; L2480-L2484 WeakPolarHBondContact O-CB 3.34Å; L2480-L2484 VanDerWaalsContact O-CG 3.28Å; L2480-L2484 WeakPolarHBondContact O-CG 3.39Å; L2480-L2484 PolarHBondContact O-N 3Å; Q2481-L2484 PolarHBondContact O-N 3.23Å; T2482-L2484 PolarHBondContact O-N 3.46Å; L2484-F2488 WeakPolarHBondContact O-CB 3.39Å; L2484-F2488 PolarHBondContact O-N 3.07Å; L2484-F2488 VanDerWaalsContact O-N 3.1Å |
| 2485 | L | 85.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 178.2 | -99.1 | 143.6 | 0 | 0 | 0 | 112 | I2418 Q2481 T2482 N2483 F2488 Y2489 L2511 L2544 G2548 I2551 L2552 I2555 | I2418-L2485 HydrophobicContact CD1-CB 4.4Å; I2418-L2485 HydrophobicContact CD1-CD1 4.23Å; I2418-L2485 HydrophobicContact CD1-CD2 3.61Å; I2418-L2485 HydrophobicContact CD1-CG 3.89Å; Q2481-L2485 WeakPolarHBondContact O-CG 3.39Å; Q2481-L2485 PolarHBondContact O-N 3.03Å; Q2481-L2485 VanDerWaalsContact O-N 3.11Å; T2482-L2485 PolarHBondContact O-N 3.04Å; N2483-L2485 VanDerWaalsContact C-N 3.32Å; N2483-L2485 PolarHBondContact O-N 2.86Å; L2485-F2488 PolarHBondContact O-N 3.06Å; L2485-Y2489 WeakPolarHBondContact O-CB 3.37Å; L2485-Y2489 PolarHBondContact O-N 3.29Å; L2485-L2511 HydrophobicContact CD1-CD1 3.69Å; L2485-L2511 HydrophobicContact CD2-CD1 3.78Å; L2485-L2544 HydrophobicContact CD1-CD1 4.1Å; L2485-L2544 HydrophobicContact CD1-CD2 3.87Å; L2485-L2544 HydrophobicContact CD1-CG 4.39Å; L2485-G2548 WeakPolarHBondContact CD2-O 3.25Å; L2485-I2551 HydrophobicContact CB-CB 4.39Å; L2485-I2551 HydrophobicContact CB-CD1 4.37Å; L2485-I2551 HydrophobicContact CB-CG2 4.09Å; L2485-I2551 HydrophobicContact CD2-CB 4.09Å; L2485-I2551 HydrophobicContact CD2-CG2 4.26Å; L2485-I2551 HydrophobicContact CG-CB 4.24Å; L2485-I2551 HydrophobicContact CG-CG2 3.87Å; L2485-L2552 HydrophobicContact CD2-CB 4.36Å; L2485-I2555 HydrophobicContact CD1-CD1 3.54Å; L2485-I2555 HydrophobicContact CD2-CD1 4.33Å; L2485-I2555 HydrophobicContact CG-CD1 3.83Å |
| 2486 | H | 84.1 | Confident | 79.4 | Confident | 2.33333 Ų | 2.33333 | 11.9 Ų | 11.9 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 177.5 | -172.9 | -100.1 | 0 | 0 | 0 | 112.1 | W2333 T2337 T2482 N2483 F2488 Y2489 A2490 I2551 | W2333-H2486 AromaticContact CE2-ND1 3.55Å; W2333-H2486 AromaticContact CZ2-CE1 3.91Å; W2333-H2486 AromaticContact CZ2-ND1 3.48Å; W2333-H2486 WeakPolarHBondContact CZ2-ND1 3.36Å; W2333-H2486 AromaticContact NE1-CE1 3.93Å; W2333-H2486 AromaticContact NE1-ND1 3.15Å; W2333-H2486 PolarHBondContact NE1-ND1 3.1Å; W2333-H2486 VanDerWaalsContact NE1-ND1 3.15Å; T2337-H2486 HydrophobicContact CG2-CB 4.5Å; T2337-H2486 WeakPolarHBondContact CG2-CD2 3.48Å; T2337-H2486 WeakPolarHBondContact CG2-NE2 3.4Å; T2482-H2486 WeakPolarHBondContact O-CB 3.4Å; T2482-H2486 PolarHBondContact O-N 3.27Å; N2483-H2486 PolarHBondContact O-N 3.37Å; H2486-F2488 VanDerWaalsContact C-N 3.31Å; H2486-F2488 PolarHBondContact O-N 3.1Å; H2486-Y2489 PolarHBondContact O-N 3.07Å; H2486-A2490 WeakPolarHBondContact O-CB 3.27Å; H2486-A2490 PolarHBondContact O-N 3.25Å; H2486-I2551 HydrophobicContact CB-CD1 3.97Å |
| 2487 | L | 84.7 | Confident | 79.1 | Confident | 5.66667 Ų | 5.66667 | 18.6 Ų | 18.6 | 3% | 0.03 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 172.8 | 174 | 71.5 | 0 | 0 | 0 | 111 | L2326 T2329 W2333 L2388 I2391 N2483 A2490 W2491 | L2326-L2487 HydrophobicContact CD1-CD2 4.38Å; T2329-L2487 HydrophobicContact CG2-CD2 4.21Å; W2333-L2487 HydrophobicContact CD2-CB 4.46Å; W2333-L2487 HydrophobicContact CD2-CD1 4.35Å; W2333-L2487 HydrophobicContact CE3-CB 4.48Å; W2333-L2487 HydrophobicContact CE3-CD1 3.56Å; W2333-L2487 HydrophobicContact CH2-CD1 3.95Å; W2333-L2487 HydrophobicContact CZ3-CD1 3.34Å; W2333-L2487 VanDerWaalsContact CZ3-CD1 3.44Å; L2388-L2487 HydrophobicContact CD1-CD1 4.42Å; I2391-L2487 HydrophobicContact CD1-CD1 4.05Å; I2391-L2487 HydrophobicContact CD1-CD2 4.32Å; N2483-L2487 VanDerWaalsContact O-CB 3.24Å; N2483-L2487 WeakPolarHBondContact O-CB 3.34Å; N2483-L2487 PolarHBondContact O-N 3.14Å; L2487-A2490 PolarHBondContact O-N 3.26Å; L2487-W2491 WeakPolarHBondContact O-CB 3.29Å; L2487-W2491 PolarHBondContact O-N 3.03Å |
| 2488 | F | 85.3 | Confident | 78.7 | Confident | 3.66667 Ų | 3.66667 | 21.3 Ų | 21.3 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 179.1 | 178.3 | -105.7 | 0 | 0 | 0 | 112.6 | L2410 I2411 L2414 L2484 L2485 H2486 A2490 W2491 L2492 I2499 L2504 L2507 I2555 | L2410-F2488 HydrophobicContact CD2-CD2 3.89Å; L2410-F2488 HydrophobicContact CD2-CE2 3.97Å; I2411-F2488 HydrophobicContact CD1-CE2 4.47Å; I2411-F2488 HydrophobicContact CD1-CZ 4.5Å; I2411-F2488 HydrophobicContact CG1-CE2 3.94Å; I2411-F2488 HydrophobicContact CG1-CZ 4.22Å; L2414-F2488 HydrophobicContact CD1-CB 3.6Å; L2414-F2488 HydrophobicContact CD1-CD1 4.44Å; L2414-F2488 HydrophobicContact CD1-CD2 3.68Å; L2414-F2488 HydrophobicContact CD1-CE2 4.47Å; L2414-F2488 HydrophobicContact CD1-CG 3.72Å; L2484-F2488 WeakPolarHBondContact O-CB 3.39Å; L2484-F2488 PolarHBondContact O-N 3.07Å; L2484-F2488 VanDerWaalsContact O-N 3.1Å; L2485-F2488 PolarHBondContact O-N 3.06Å; H2486-F2488 VanDerWaalsContact C-N 3.31Å; H2486-F2488 PolarHBondContact O-N 3.1Å; F2488-A2490 VanDerWaalsContact C-N 3.34Å; F2488-A2490 PolarHBondContact O-N 3Å; F2488-W2491 HydrophobicContact CD2-CE3 4.21Å; F2488-W2491 HydrophobicContact CE2-CE3 4.17Å; F2488-W2491 HydrophobicContact CE2-CZ3 4.22Å; F2488-W2491 PolarHBondContact O-N 3.13Å; F2488-L2492 HydrophobicContact CE1-CD1 3.77Å; F2488-L2492 HydrophobicContact CZ-CD1 3.9Å; F2488-L2492 VanDerWaalsContact O-CB 3.25Å; F2488-L2492 WeakPolarHBondContact O-CB 3.38Å; F2488-L2492 PolarHBondContact O-N 3.23Å; F2488-I2499 HydrophobicContact CD2-CD1 4.49Å; F2488-I2499 HydrophobicContact CE2-CD1 3.46Å; F2488-I2499 VanDerWaalsContact CE2-CD1 3.46Å; F2488-I2499 HydrophobicContact CZ-CD1 3.72Å; F2488-L2504 HydrophobicContact CE1-CD1 3.93Å; F2488-L2504 HydrophobicContact CZ-CD1 3.95Å; F2488-L2507 HydrophobicContact CD1-CD1 4.49Å; F2488-L2507 HydrophobicContact CD1-CD2 4.25Å; F2488-L2507 HydrophobicContact CE1-CD1 3.87Å; F2488-L2507 HydrophobicContact CE1-CD2 3.74Å; F2488-L2507 HydrophobicContact CE2-CD1 4.35Å; F2488-L2507 HydrophobicContact CE2-CD2 4.18Å; F2488-L2507 HydrophobicContact CZ-CD1 3.79Å; F2488-L2507 HydrophobicContact CZ-CD2 3.48Å; F2488-L2507 VanDerWaalsContact CZ-CD2 3.48Å; F2488-I2555 HydrophobicContact CD1-CD1 3.9Å; F2488-I2555 HydrophobicContact CD1-CG1 4.49Å; F2488-I2555 HydrophobicContact CE1-CD1 4.37Å; F2488-I2555 HydrophobicContact CE1-CG2 4.27Å |
| 2489 | Y | 84.1 | Confident | 78.7 | Confident | 5.66667 Ų | 5.66667 | 21.6 Ų | 21.6 | 2% | 0.022 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 176.7 | 179.6 | -125.4 | 0 | 0 | 0 | 111.9 | L2361 I2378 L2485 H2486 W2491 L2492 I2493 I2551 K2554 I2555 | L2361-Y2489 HydrophobicContact CB-CE1 4.26Å; L2361-Y2489 HydrophobicContact CD2-CD1 4.36Å; L2361-Y2489 HydrophobicContact CD2-CE1 4.4Å; L2361-Y2489 WeakPolarHBondContact O-CE1 3.31Å; L2361-Y2489 PolarHBondContact O-OH 3.13Å; L2361-Y2489 VanDerWaalsContact O-OH 3.09Å; I2378-Y2489 HydrophobicContact CD1-CD1 3.32Å; I2378-Y2489 HydrophobicContact CD1-CE1 3.39Å; I2378-Y2489 VanDerWaalsContact CD1-CE1 3.43Å; I2378-Y2489 HydrophobicContact CD1-CG 4.13Å; I2378-Y2489 HydrophobicContact CG1-CD1 4.39Å; I2378-Y2489 HydrophobicContact CG1-CE1 4.16Å; L2485-Y2489 WeakPolarHBondContact O-CB 3.37Å; L2485-Y2489 PolarHBondContact O-N 3.29Å; H2486-Y2489 PolarHBondContact O-N 3.07Å; Y2489-W2491 VanDerWaalsContact C-N 3.3Å; Y2489-W2491 PolarHBondContact O-N 2.94Å; Y2489-L2492 PolarHBondContact O-N 3.23Å; Y2489-I2493 HydrophobicContact CD1-CD1 4.27Å; Y2489-I2493 HydrophobicContact CD2-CD1 4.23Å; Y2489-I2493 HydrophobicContact CD2-CG1 4.45Å; Y2489-I2493 HydrophobicContact CE1-CD1 3.83Å; Y2489-I2493 HydrophobicContact CE2-CD1 3.51Å; Y2489-I2493 VanDerWaalsContact CE2-CD1 3.42Å; Y2489-I2493 HydrophobicContact CE2-CG1 4Å; Y2489-I2493 HydrophobicContact CG-CD1 4.43Å; Y2489-I2493 VanDerWaalsContact CZ-CD1 3.46Å; Y2489-I2493 PolarHBondContact O-N 3.16Å; Y2489-I2493 VanDerWaalsContact OH-CD1 3.29Å; Y2489-I2493 WeakPolarHBondContact OH-CD1 3.31Å; Y2489-I2551 HydrophobicContact CD1-CG2 4.39Å; Y2489-I2551 HydrophobicContact CG-CG2 4.19Å; Y2489-K2554 HydrophobicContact CD2-CB 4.29Å; Y2489-K2554 HydrophobicContact CE1-CB 3.98Å; Y2489-K2554 HydrophobicContact CE2-CB 3.78Å; Y2489-K2554 WeakPolarHBondContact CE2-O 3.44Å; Y2489-I2555 HydrophobicContact CD2-CB 4.45Å; Y2489-I2555 HydrophobicContact CD2-CG1 3.61Å; Y2489-I2555 HydrophobicContact CE2-CG1 4.45Å; Y2489-I2555 HydrophobicContact CG-CG1 4.06Å |
| 2490 | A | 79.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W2333 I2378 L2380 L2388 H2486 L2487 F2488 M2494 | W2333-A2490 HydrophobicContact CH2-CB 4.47Å; I2378-A2490 HydrophobicContact CD1-CB 4.05Å; L2380-A2490 HydrophobicContact CD1-CB 4.08Å; L2380-A2490 HydrophobicContact CD2-CB 4.25Å; L2388-A2490 HydrophobicContact CD1-CB 4.46Å; L2388-A2490 HydrophobicContact CD2-CB 3.98Å; H2486-A2490 WeakPolarHBondContact O-CB 3.27Å; H2486-A2490 PolarHBondContact O-N 3.25Å; L2487-A2490 PolarHBondContact O-N 3.26Å; F2488-A2490 VanDerWaalsContact C-N 3.34Å; F2488-A2490 PolarHBondContact O-N 3Å; A2490-M2494 WeakPolarHBondContact O-CB 3.23Å; A2490-M2494 PolarHBondContact O-N 3.28Å; A2490-M2494 VanDerWaalsContact O-N 3.14Å |
| 2491 | W | 81.1 | Confident | 78.3 | Confident | 6.33333 Ų | 6.33333 | 24.2 Ų | 24.2 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.8 | -44 | 175 | -168.7 | 13.8 | 0 | 0 | 0 | 112 | L2388 I2391 P2403 L2410 L2487 F2488 Y2489 I2493 M2494 K2495 F2498 I2499 | L2388-W2491 HydrophobicContact CD1-CB 3.72Å; L2388-W2491 HydrophobicContact CD1-CD2 4.46Å; L2388-W2491 HydrophobicContact CD1-CG 4.14Å; I2391-W2491 HydrophobicContact CB-CZ3 4.45Å; I2391-W2491 HydrophobicContact CG2-CE3 4.17Å; I2391-W2491 HydrophobicContact CG2-CH2 3.52Å; I2391-W2491 VanDerWaalsContact CG2-CH2 3.46Å; I2391-W2491 HydrophobicContact CG2-CZ2 4.38Å; I2391-W2491 HydrophobicContact CG2-CZ3 3.32Å; P2403-W2491 HydrophobicContact CB-CH2 4.43Å; P2403-W2491 HydrophobicContact CB-CZ2 3.87Å; L2410-W2491 HydrophobicContact CD1-CD2 4.45Å; L2410-W2491 HydrophobicContact CD1-CE3 3.77Å; L2410-W2491 HydrophobicContact CD1-CH2 3.67Å; L2410-W2491 HydrophobicContact CD1-CZ2 4.31Å; L2410-W2491 HydrophobicContact CD1-CZ3 3.49Å; L2410-W2491 HydrophobicContact CG-CZ3 4.45Å; L2487-W2491 WeakPolarHBondContact O-CB 3.29Å; L2487-W2491 PolarHBondContact O-N 3.03Å; F2488-W2491 HydrophobicContact CD2-CE3 4.21Å; F2488-W2491 HydrophobicContact CE2-CE3 4.17Å; F2488-W2491 HydrophobicContact CE2-CZ3 4.22Å; F2488-W2491 PolarHBondContact O-N 3.13Å; Y2489-W2491 VanDerWaalsContact C-N 3.3Å; Y2489-W2491 PolarHBondContact O-N 2.94Å; W2491-I2493 VanDerWaalsContact C-N 3.32Å; W2491-I2493 PolarHBondContact O-N 3.34Å; W2491-M2494 CarbonylContact O-C 3.57Å; W2491-M2494 PolarHBondContact O-N 3.4Å; W2491-M2494 VanDerWaalsContact O-N 3.16Å; W2491-K2495 PolarHBondContact O-N 3.15Å; W2491-F2498 HydrophobicContact CH2-CE1 4.48Å; W2491-F2498 HydrophobicContact CZ2-CD1 4.27Å; W2491-F2498 AromaticContact CZ2-CE1 3.75Å; W2491-F2498 HydrophobicContact CZ2-CE1 3.75Å; W2491-F2498 HydrophobicContact CZ2-CZ 4.36Å; W2491-F2498 AromaticContact NE1-CD1 3.98Å; W2491-I2499 HydrophobicContact CE3-CD1 4.13Å; W2491-I2499 HydrophobicContact CH2-CD1 4.35Å; W2491-I2499 HydrophobicContact CH2-CG1 4.08Å; W2491-I2499 HydrophobicContact CZ3-CD1 3.53Å; W2491-I2499 HydrophobicContact CZ3-CG1 3.73Å |
| 2492 | L | 81.8 | Confident | 78.1 | Confident | 4.33333 Ų | 4.33333 | 29.3 Ų | 29.3 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 178.7 | -174.2 | 96.2 | 0 | 0 | 0 | 111.7 | F2488 Y2489 M2494 K2495 S2496 I2499 L2504 I2555 K2558 | F2488-L2492 HydrophobicContact CE1-CD1 3.77Å; F2488-L2492 HydrophobicContact CZ-CD1 3.9Å; F2488-L2492 VanDerWaalsContact O-CB 3.25Å; F2488-L2492 WeakPolarHBondContact O-CB 3.38Å; F2488-L2492 PolarHBondContact O-N 3.23Å; Y2489-L2492 PolarHBondContact O-N 3.23Å; L2492-M2494 VanDerWaalsContact C-N 3.34Å; L2492-M2494 PolarHBondContact O-N 3.34Å; L2492-K2495 CarbonylContact O-C 3.44Å; L2492-K2495 VanDerWaalsContact O-C 3.27Å; L2492-K2495 PolarHBondContact O-N 3.09Å; L2492-S2496 VanDerWaalsContact O-CA 3.27Å; L2492-S2496 WeakPolarHBondContact O-CA 3.37Å; L2492-S2496 PolarHBondContact O-N 3.16Å; L2492-S2496 VanDerWaalsContact O-N 3.1Å; L2492-I2499 HydrophobicContact CB-CD1 4.26Å; L2492-I2499 HydrophobicContact CD1-CB 4.5Å; L2492-I2499 HydrophobicContact CD1-CD1 3.96Å; L2492-I2499 HydrophobicContact CG-CD1 3.81Å; L2492-L2504 HydrophobicContact CD1-CD1 3.9Å; L2492-L2504 HydrophobicContact CD1-CD2 4.06Å; L2492-L2504 HydrophobicContact CD2-CD1 4.44Å; L2492-L2504 HydrophobicContact CD2-CD2 4.07Å; L2492-I2555 HydrophobicContact CD1-CG2 4.3Å; L2492-I2555 HydrophobicContact CD2-CG2 4.16Å; L2492-K2558 HydrophobicContact CD2-CB 4.01Å; L2492-K2558 HydrophobicContact CD2-CG 3.74Å; L2492-K2558 HydrophobicContact CG-CG 4.23Å |
| 2493 | I | 78.1 | Confident | 78.1 | Confident | 17 Ų | 17 | 30.8 Ų | 30.8 | 9% | 0.087 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 175.7 | -74.6 | -179.2 | 0 | 0 | 0 | 112.1 | P2363 Y2376 I2378 Y2489 W2491 K2495 | P2363-I2493 HydrophobicContact CB-CD1 4.02Å; P2363-I2493 HydrophobicContact CB-CG2 4.32Å; P2363-I2493 HydrophobicContact CG-CD1 4.03Å; Y2376-I2493 WeakPolarHBondContact O-CG2 3.23Å; I2378-I2493 HydrophobicContact CD1-CD1 3.81Å; I2378-I2493 HydrophobicContact CG1-CB 4.42Å; I2378-I2493 HydrophobicContact CG1-CD1 3.62Å; I2378-I2493 VanDerWaalsContact CG1-CD1 3.41Å; I2378-I2493 HydrophobicContact CG1-CG1 4.47Å; I2378-I2493 HydrophobicContact CG1-CG2 4.47Å; Y2489-I2493 HydrophobicContact CD1-CD1 4.27Å; Y2489-I2493 HydrophobicContact CD2-CD1 4.23Å; Y2489-I2493 HydrophobicContact CD2-CG1 4.45Å; Y2489-I2493 HydrophobicContact CE1-CD1 3.83Å; Y2489-I2493 HydrophobicContact CE2-CD1 3.51Å; Y2489-I2493 VanDerWaalsContact CE2-CD1 3.42Å; Y2489-I2493 HydrophobicContact CE2-CG1 4Å; Y2489-I2493 HydrophobicContact CG-CD1 4.43Å; Y2489-I2493 VanDerWaalsContact CZ-CD1 3.46Å; Y2489-I2493 PolarHBondContact O-N 3.16Å; Y2489-I2493 VanDerWaalsContact OH-CD1 3.29Å; Y2489-I2493 WeakPolarHBondContact OH-CD1 3.31Å; W2491-I2493 VanDerWaalsContact C-N 3.32Å; W2491-I2493 PolarHBondContact O-N 3.34Å; I2493-K2495 VanDerWaalsContact C-N 3.27Å; I2493-K2495 PolarHBondContact O-N 2.95Å |
| 2494 | M | 73.1 | Confident | 78 | Confident | 36.6667 Ų | 36.6667 | 31 Ų | 31 | 18% | 0.181 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.6 | -28.4 | 179.1 | -144.2 | -176.7 | 59.2 | 0 | 0 | 113.1 | M2375 L2388 S2392 R2394 A2490 W2491 L2492 | M2375-M2494 HydrophobicContact CE-CG 3.53Å; L2388-M2494 HydrophobicContact CB-SD 4.47Å; L2388-M2494 HydrophobicContact CD1-CE 4.24Å; L2388-M2494 HydrophobicContact CD2-CB 4.39Å; L2388-M2494 HydrophobicContact CD2-CE 4.04Å; L2388-M2494 HydrophobicContact CD2-CG 4.27Å; L2388-M2494 HydrophobicContact CD2-SD 3.68Å; L2388-M2494 WeakPolarHBondContact CD2-SD 3.47Å; L2388-M2494 HydrophobicContact CG-CE 3.93Å; L2388-M2494 HydrophobicContact CG-SD 3.97Å; S2392-M2494 VanDerWaalsContact CB-CE 3.47Å; S2392-M2494 VanDerWaalsContact OG-CE 3.27Å; S2392-M2494 WeakPolarHBondContact OG-CE 3.45Å; R2394-M2494 PolarHBondContact NH1-SD 3.08Å; A2490-M2494 WeakPolarHBondContact O-CB 3.23Å; A2490-M2494 PolarHBondContact O-N 3.28Å; A2490-M2494 VanDerWaalsContact O-N 3.14Å; W2491-M2494 CarbonylContact O-C 3.57Å; W2491-M2494 PolarHBondContact O-N 3.4Å; W2491-M2494 VanDerWaalsContact O-N 3.16Å; L2492-M2494 VanDerWaalsContact C-N 3.34Å; L2492-M2494 PolarHBondContact O-N 3.34Å |
| 2495 | K | 72 | Confident | 77.8 | Confident | 46.6667 Ų | 46.6667 | 32.9 Ų | 32.9 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 68.9 | -177.1 | -93.2 | -172.9 | 177.1 | -176.6 | 0 | 111.3 | S2392 W2491 L2492 I2493 D2497 F2498 | S2392-K2495 PolarHBondContact O-NZ 3.33Å; W2491-K2495 PolarHBondContact O-N 3.15Å; L2492-K2495 CarbonylContact O-C 3.44Å; L2492-K2495 VanDerWaalsContact O-C 3.27Å; L2492-K2495 PolarHBondContact O-N 3.09Å; I2493-K2495 VanDerWaalsContact C-N 3.27Å; I2493-K2495 PolarHBondContact O-N 2.95Å; K2495-D2497 PolarHBondContact O-N 3.37Å; K2495-D2497 VanDerWaalsContact O-N 3.15Å; K2495-F2498 HydrophobicContact CB-CB 4.06Å; K2495-F2498 HydrophobicContact CB-CD2 4.01Å; K2495-F2498 HydrophobicContact CD-CB 4.2Å; K2495-F2498 HydrophobicContact CD-CD2 3.99Å; K2495-F2498 HydrophobicContact CD-CE2 4.28Å; K2495-F2498 HydrophobicContact CG-CB 4.16Å; K2495-F2498 HydrophobicContact CG-CD2 4.23Å; K2495-F2498 WeakPolarHBondContact O-CB 3.35Å; K2495-F2498 PolarHBondContact O-N 3.05Å; K2495-F2498 VanDerWaalsContact O-N 3.16Å |
| 2496 | S | 68.5 | Low | 77.6 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 24% | 0.238 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -52.6 | -39 | 178.6 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | L2492 F2498 K2558 T2562 | L2492-S2496 VanDerWaalsContact O-CA 3.27Å; L2492-S2496 WeakPolarHBondContact O-CA 3.37Å; L2492-S2496 PolarHBondContact O-N 3.16Å; L2492-S2496 VanDerWaalsContact O-N 3.1Å; S2496-F2498 VanDerWaalsContact C-N 3.29Å; S2496-F2498 PolarHBondContact O-N 3.34Å; S2496-F2498 VanDerWaalsContact O-N 3.14Å; S2496-K2558 WeakPolarHBondContact OG-CE 3.19Å; S2496-T2562 PolarHBondContact OG-OG1 2.91Å |
| 2497 | D | 66.5 | Low | 77.6 | Confident | 148.333 Ų | 148.333 | 35.8 Ų | 35.8 | 79% | 0.793 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -80.8 | -4.4 | -169.1 | -43.7 | -18.6 | 0 | 0 | 0 | 113.7 | K2495 | K2495-D2497 PolarHBondContact O-N 3.37Å; K2495-D2497 VanDerWaalsContact O-N 3.15Å |
| 2498 | F | 67.2 | Low | 77.6 | Confident | 65.3333 Ų | 65.3333 | 35.5 Ų | 35.5 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -84.9 | -15.6 | -173.2 | -151.4 | -109.3 | 0 | 0 | 0 | 113.8 | P2403 S2407 W2491 K2495 S2496 | P2403-F2498 HydrophobicContact CB-CE2 4.25Å; P2403-F2498 HydrophobicContact CB-CZ 3.91Å; P2403-F2498 HydrophobicContact CG-CD2 4.44Å; P2403-F2498 HydrophobicContact CG-CE2 3.51Å; P2403-F2498 VanDerWaalsContact CG-CE2 3.5Å; P2403-F2498 HydrophobicContact CG-CZ 3.61Å; S2407-F2498 WeakPolarHBondContact CB-O 3.48Å; S2407-F2498 PolarHBondContact OG-O 3.04Å; W2491-F2498 HydrophobicContact CH2-CE1 4.48Å; W2491-F2498 HydrophobicContact CZ2-CD1 4.27Å; W2491-F2498 AromaticContact CZ2-CE1 3.75Å; W2491-F2498 HydrophobicContact CZ2-CE1 3.75Å; W2491-F2498 HydrophobicContact CZ2-CZ 4.36Å; W2491-F2498 AromaticContact NE1-CD1 3.98Å; K2495-F2498 HydrophobicContact CB-CB 4.06Å; K2495-F2498 HydrophobicContact CB-CD2 4.01Å; K2495-F2498 HydrophobicContact CD-CB 4.2Å; K2495-F2498 HydrophobicContact CD-CD2 3.99Å; K2495-F2498 HydrophobicContact CD-CE2 4.28Å; K2495-F2498 HydrophobicContact CG-CB 4.16Å; K2495-F2498 HydrophobicContact CG-CD2 4.23Å; K2495-F2498 WeakPolarHBondContact O-CB 3.35Å; K2495-F2498 PolarHBondContact O-N 3.05Å; K2495-F2498 VanDerWaalsContact O-N 3.16Å; S2496-F2498 VanDerWaalsContact C-N 3.29Å; S2496-F2498 PolarHBondContact O-N 3.34Å; S2496-F2498 VanDerWaalsContact O-N 3.14Å |
| 2499 | I | 72.7 | Confident | 77.5 | Confident | 17.3333 Ų | 17.3333 | 40.1 Ų | 40.1 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -117.8 | 125.3 | -174.5 | -61 | 166 | 0 | 0 | 0 | 108 | I2411 F2488 W2491 L2492 L2503 L2504 | I2411-I2499 HydrophobicContact CD1-CB 4.41Å; I2411-I2499 HydrophobicContact CD1-CG1 4.19Å; I2411-I2499 HydrophobicContact CD1-CG2 3.54Å; I2411-I2499 VanDerWaalsContact CD1-CG2 3.47Å; F2488-I2499 HydrophobicContact CD2-CD1 4.49Å; F2488-I2499 HydrophobicContact CE2-CD1 3.46Å; F2488-I2499 VanDerWaalsContact CE2-CD1 3.46Å; F2488-I2499 HydrophobicContact CZ-CD1 3.72Å; W2491-I2499 HydrophobicContact CE3-CD1 4.13Å; W2491-I2499 HydrophobicContact CH2-CD1 4.35Å; W2491-I2499 HydrophobicContact CH2-CG1 4.08Å; W2491-I2499 HydrophobicContact CZ3-CD1 3.53Å; W2491-I2499 HydrophobicContact CZ3-CG1 3.73Å; L2492-I2499 HydrophobicContact CB-CD1 4.26Å; L2492-I2499 HydrophobicContact CD1-CB 4.5Å; L2492-I2499 HydrophobicContact CD1-CD1 3.96Å; L2492-I2499 HydrophobicContact CG-CD1 3.81Å; I2499-L2503 HydrophobicContact CG2-CB 4.38Å; I2499-L2504 HydrophobicContact CG2-CB 4.02Å |
| 2500 | S | 74.1 | Confident | 77.4 | Confident | 56.3333 Ų | 56.3333 | 40.3 Ų | 40.3 | 39% | 0.394 | 21% | 0.211 | S | C | . | . | trans | -67.6 | 142.3 | 172.1 | 59.8 | 0 | 0 | 0 | 0 | 110.4 | D2502 L2503 L2504 | S2500-D2502 PolarHBondContact O-N 3.01Å; S2500-L2503 PolarHBondContact O-N 3.08Å; S2500-L2503 VanDerWaalsContact O-N 3.11Å; S2500-L2503 VanDerWaalsContact OG-CD1 3.29Å; S2500-L2503 WeakPolarHBondContact OG-CD1 3.45Å; S2500-L2503 VanDerWaalsContact OG-CG 3.23Å; S2500-L2503 WeakPolarHBondContact OG-CG 3.2Å; S2500-L2504 PolarHBondContact O-N 3.01Å; S2500-L2504 VanDerWaalsContact O-N 3.12Å | ||
| 2501 | S | 75.6 | Confident | 77.6 | Confident | 43.6667 Ų | 43.6667 | 40.3 Ų | 40.3 | 31% | 0.305 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -49.4 | -43.6 | 179 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | L2503 L2504 L2505 F2559 | S2501-L2503 PolarHBondContact O-N 3.09Å; S2501-L2504 WeakPolarHBondContact O-CB 3.18Å; S2501-L2504 PolarHBondContact O-N 3.2Å; S2501-L2505 PolarHBondContact O-N 3.12Å; S2501-F2559 WeakPolarHBondContact O-CE2 3.4Å; S2501-F2559 VanDerWaalsContact OG-CE2 3.27Å; S2501-F2559 WeakPolarHBondContact OG-CE2 3.42Å |
| 2502 | D | 78.1 | Confident | 77.7 | Confident | 109 Ų | 109 | 40.5 Ų | 40.5 | 58% | 0.583 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.1 | -41.1 | -177.2 | -37.3 | -33.4 | 0 | 0 | 0 | 112.8 | S2500 L2504 L2505 I2506 | S2500-D2502 PolarHBondContact O-N 3.01Å; D2502-L2504 VanDerWaalsContact C-N 3.33Å; D2502-L2504 PolarHBondContact O-N 3.06Å; D2502-L2505 PolarHBondContact O-N 2.93Å; D2502-I2506 WeakPolarHBondContact O-CB 3.35Å; D2502-I2506 WeakPolarHBondContact O-CD1 3.29Å; D2502-I2506 VanDerWaalsContact O-CG1 3.31Å; D2502-I2506 WeakPolarHBondContact O-CG1 3.22Å; D2502-I2506 PolarHBondContact O-N 3.15Å |
| 2503 | L | 79 | Confident | 77.6 | Confident | 35 Ų | 35 | 44 Ų | 44 | 18% | 0.183 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -36.6 | 177.4 | -69.6 | 172.6 | 0 | 0 | 0 | 111.4 | T2408 I2411 I2499 S2500 S2501 I2506 L2507 | T2408-L2503 HydrophobicContact CG2-CD1 3.78Å; I2411-L2503 HydrophobicContact CD1-CB 3.68Å; I2411-L2503 HydrophobicContact CD1-CD1 4.16Å; I2411-L2503 HydrophobicContact CD1-CG 4.45Å; I2411-L2503 HydrophobicContact CG2-CB 4.33Å; I2499-L2503 HydrophobicContact CG2-CB 4.38Å; S2500-L2503 PolarHBondContact O-N 3.08Å; S2500-L2503 VanDerWaalsContact O-N 3.11Å; S2500-L2503 VanDerWaalsContact OG-CD1 3.29Å; S2500-L2503 WeakPolarHBondContact OG-CD1 3.45Å; S2500-L2503 VanDerWaalsContact OG-CG 3.23Å; S2500-L2503 WeakPolarHBondContact OG-CG 3.2Å; S2501-L2503 PolarHBondContact O-N 3.09Å; L2503-I2506 PolarHBondContact O-N 3.11Å; L2503-L2507 WeakPolarHBondContact O-CB 3.44Å; L2503-L2507 PolarHBondContact O-N 3.28Å |
| 2504 | L | 81.4 | Confident | 77.7 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 175.6 | -175 | 55 | 0 | 0 | 0 | 111.1 | F2488 L2492 I2499 S2500 S2501 D2502 L2507 I2508 I2555 F2559 | F2488-L2504 HydrophobicContact CE1-CD1 3.93Å; F2488-L2504 HydrophobicContact CZ-CD1 3.95Å; L2492-L2504 HydrophobicContact CD1-CD1 3.9Å; L2492-L2504 HydrophobicContact CD1-CD2 4.06Å; L2492-L2504 HydrophobicContact CD2-CD1 4.44Å; L2492-L2504 HydrophobicContact CD2-CD2 4.07Å; I2499-L2504 HydrophobicContact CG2-CB 4.02Å; S2500-L2504 PolarHBondContact O-N 3.01Å; S2500-L2504 VanDerWaalsContact O-N 3.12Å; S2501-L2504 WeakPolarHBondContact O-CB 3.18Å; S2501-L2504 PolarHBondContact O-N 3.2Å; D2502-L2504 VanDerWaalsContact C-N 3.33Å; D2502-L2504 PolarHBondContact O-N 3.06Å; L2504-L2507 HydrophobicContact CD1-CD2 4.43Å; L2504-L2507 WeakPolarHBondContact O-CB 3.46Å; L2504-L2507 PolarHBondContact O-N 3.25Å; L2504-I2508 HydrophobicContact CD1-CD1 4.08Å; L2504-I2508 HydrophobicContact CD1-CG1 4.33Å; L2504-I2508 HydrophobicContact CG-CD1 3.9Å; L2504-I2508 WeakPolarHBondContact O-CB 3.4Å; L2504-I2508 WeakPolarHBondContact O-CD1 3.39Å; L2504-I2508 VanDerWaalsContact O-CG1 3.26Å; L2504-I2508 WeakPolarHBondContact O-CG1 3.36Å; L2504-I2508 PolarHBondContact O-N 3.05Å; L2504-I2555 HydrophobicContact CD1-CG2 3.86Å; L2504-F2559 HydrophobicContact CB-CD2 4.18Å; L2504-F2559 HydrophobicContact CD2-CB 3.82Å; L2504-F2559 HydrophobicContact CD2-CD2 3.89Å; L2504-F2559 HydrophobicContact CD2-CG 4.36Å; L2504-F2559 HydrophobicContact CG-CB 4.28Å; L2504-F2559 HydrophobicContact CG-CD2 3.93Å; L2504-F2559 HydrophobicContact CG-CG 4.45Å |
| 2505 | L | 80.9 | Confident | 77.8 | Confident | 41.6667 Ų | 41.6667 | 45.3 Ų | 45.3 | 22% | 0.218 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.2 | -175.2 | 64.1 | 0 | 0 | 0 | 111.9 | S2501 D2502 L2507 I2508 R2509 F2559 L2575 L2578 | S2501-L2505 PolarHBondContact O-N 3.12Å; D2502-L2505 PolarHBondContact O-N 2.93Å; L2505-L2507 VanDerWaalsContact C-N 3.34Å; L2505-L2507 PolarHBondContact O-N 3.19Å; L2505-I2508 PolarHBondContact O-N 2.88Å; L2505-R2509 VanDerWaalsContact O-CB 3.31Å; L2505-R2509 WeakPolarHBondContact O-CB 3.35Å; L2505-R2509 PolarHBondContact O-N 2.72Å; L2505-F2559 HydrophobicContact CB-CE2 3.92Å; L2505-F2559 HydrophobicContact CB-CZ 4.12Å; L2505-F2559 HydrophobicContact CD1-CE1 4.24Å; L2505-F2559 HydrophobicContact CD1-CE2 4.35Å; L2505-F2559 HydrophobicContact CD1-CZ 3.85Å; L2505-F2559 HydrophobicContact CD2-CZ 4.49Å; L2505-F2559 HydrophobicContact CG-CZ 4.34Å; L2505-L2575 HydrophobicContact CD1-CD1 4.42Å; L2505-L2578 HydrophobicContact CD1-CD1 3.64Å |
| 2506 | I | 82 | Confident | 78 | Confident | 61.3333 Ų | 61.3333 | 45.1 Ų | 45.1 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 175 | -69.8 | 165 | 0 | 0 | 0 | 110.4 | D2502 L2503 I2508 R2509 D2510 | D2502-I2506 WeakPolarHBondContact O-CB 3.35Å; D2502-I2506 WeakPolarHBondContact O-CD1 3.29Å; D2502-I2506 VanDerWaalsContact O-CG1 3.31Å; D2502-I2506 WeakPolarHBondContact O-CG1 3.22Å; D2502-I2506 PolarHBondContact O-N 3.15Å; L2503-I2506 PolarHBondContact O-N 3.11Å; I2506-I2508 PolarHBondContact O-N 3.07Å; I2506-R2509 PolarHBondContact O-N 3.23Å; I2506-D2510 WeakPolarHBondContact CG2-OD2 3.32Å; I2506-D2510 VanDerWaalsContact O-CB 3.28Å; I2506-D2510 WeakPolarHBondContact O-CB 3.29Å; I2506-D2510 VanDerWaalsContact O-CG 3.28Å; I2506-D2510 PolarHBondContact O-N 2.99Å; I2506-D2510 VanDerWaalsContact O-OD2 3.08Å |
| 2507 | L | 82.9 | Confident | 78.1 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 177.8 | 179.5 | 93.4 | 0 | 0 | 0 | 111.6 | I2411 L2414 R2415 F2488 L2503 L2504 L2505 R2509 D2510 L2511 | I2411-L2507 HydrophobicContact CB-CD1 4.47Å; I2411-L2507 HydrophobicContact CG1-CD1 4.27Å; I2411-L2507 HydrophobicContact CG2-CB 4.01Å; I2411-L2507 HydrophobicContact CG2-CD1 4.15Å; I2411-L2507 HydrophobicContact CG2-CD2 4.46Å; I2411-L2507 HydrophobicContact CG2-CG 4.44Å; L2414-L2507 HydrophobicContact CD2-CD1 3.72Å; L2414-L2507 HydrophobicContact CD2-CD2 3.99Å; L2414-L2507 HydrophobicContact CD2-CG 4.42Å; R2415-L2507 HydrophobicContact CB-CD1 3.88Å; F2488-L2507 HydrophobicContact CD1-CD1 4.49Å; F2488-L2507 HydrophobicContact CD1-CD2 4.25Å; F2488-L2507 HydrophobicContact CE1-CD1 3.87Å; F2488-L2507 HydrophobicContact CE1-CD2 3.74Å; F2488-L2507 HydrophobicContact CE2-CD1 4.35Å; F2488-L2507 HydrophobicContact CE2-CD2 4.18Å; F2488-L2507 HydrophobicContact CZ-CD1 3.79Å; F2488-L2507 HydrophobicContact CZ-CD2 3.48Å; F2488-L2507 VanDerWaalsContact CZ-CD2 3.48Å; L2503-L2507 WeakPolarHBondContact O-CB 3.44Å; L2503-L2507 PolarHBondContact O-N 3.28Å; L2504-L2507 HydrophobicContact CD1-CD2 4.43Å; L2504-L2507 WeakPolarHBondContact O-CB 3.46Å; L2504-L2507 PolarHBondContact O-N 3.25Å; L2505-L2507 VanDerWaalsContact C-N 3.34Å; L2505-L2507 PolarHBondContact O-N 3.19Å; L2507-R2509 PolarHBondContact O-N 2.88Å; L2507-D2510 PolarHBondContact O-N 3.24Å; L2507-D2510 VanDerWaalsContact O-N 3.12Å; L2507-L2511 HydrophobicContact CD1-CD1 3.92Å; L2507-L2511 HydrophobicContact CD1-CG 4.1Å; L2507-L2511 HydrophobicContact CD2-CD1 4.15Å; L2507-L2511 HydrophobicContact CD2-CG 4.3Å; L2507-L2511 HydrophobicContact CG-CD1 3.94Å; L2507-L2511 HydrophobicContact CG-CG 4.37Å; L2507-L2511 WeakPolarHBondContact O-CB 3.42Å; L2507-L2511 VanDerWaalsContact O-CG 3.29Å; L2507-L2511 WeakPolarHBondContact O-CG 3.38Å; L2507-L2511 PolarHBondContact O-N 3.27Å |
| 2508 | I | 84.5 | Confident | 78.1 | Confident | 0.333333 Ų | 0.333333 | 40.5 Ų | 40.5 | 0% | 0.002 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | -179.3 | -70 | 167.2 | 0 | 0 | 0 | 110.4 | L2504 L2505 I2506 D2510 L2511 I2512 L2552 I2555 F2556 F2559 L2578 | L2504-I2508 HydrophobicContact CD1-CD1 4.08Å; L2504-I2508 HydrophobicContact CD1-CG1 4.33Å; L2504-I2508 HydrophobicContact CG-CD1 3.9Å; L2504-I2508 WeakPolarHBondContact O-CB 3.4Å; L2504-I2508 WeakPolarHBondContact O-CD1 3.39Å; L2504-I2508 VanDerWaalsContact O-CG1 3.26Å; L2504-I2508 WeakPolarHBondContact O-CG1 3.36Å; L2504-I2508 PolarHBondContact O-N 3.05Å; L2505-I2508 PolarHBondContact O-N 2.88Å; I2506-I2508 PolarHBondContact O-N 3.07Å; I2508-D2510 VanDerWaalsContact C-N 3.25Å; I2508-D2510 PolarHBondContact O-N 2.93Å; I2508-L2511 PolarHBondContact O-N 3.03Å; I2508-I2512 HydrophobicContact CG2-CD1 3.45Å; I2508-I2512 VanDerWaalsContact CG2-CD1 3.4Å; I2508-I2512 HydrophobicContact CG2-CG1 4.14Å; I2508-I2512 WeakPolarHBondContact O-CB 3.37Å; I2508-I2512 VanDerWaalsContact O-CG1 3.27Å; I2508-I2512 WeakPolarHBondContact O-CG1 3.38Å; I2508-I2512 PolarHBondContact O-N 3.14Å; I2508-L2552 HydrophobicContact CG1-CD1 4.43Å; I2508-I2555 HydrophobicContact CD1-CG2 4.12Å; I2508-I2555 HydrophobicContact CG1-CG2 4.21Å; I2508-F2556 HydrophobicContact CD1-CD2 4.21Å; I2508-F2556 HydrophobicContact CG2-CD2 4.07Å; I2508-F2559 HydrophobicContact CD1-CB 3.92Å; I2508-F2559 HydrophobicContact CD1-CD2 4.45Å; I2508-F2559 HydrophobicContact CD1-CG 4.13Å; I2508-L2578 HydrophobicContact CG2-CD1 4.37Å |
| 2509 | R | 84 | Confident | 77.7 | Confident | 100 Ų | 100 | 40.5 Ų | 40.5 | 38% | 0.377 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -53.2 | -43.5 | 174.6 | 179.9 | -174.1 | 71.3 | -173.5 | -0.5 | 111.6 | L2505 I2506 L2507 N2513 L2578 | L2505-R2509 VanDerWaalsContact O-CB 3.31Å; L2505-R2509 WeakPolarHBondContact O-CB 3.35Å; L2505-R2509 PolarHBondContact O-N 2.72Å; I2506-R2509 PolarHBondContact O-N 3.23Å; L2507-R2509 PolarHBondContact O-N 2.88Å; R2509-N2513 VanDerWaalsContact O-CG 3.29Å; R2509-N2513 PolarHBondContact O-ND2 3.22Å; R2509-N2513 VanDerWaalsContact O-ND2 3.1Å; R2509-N2513 PolarHBondContact O-OD1 2.64Å; R2509-L2578 HydrophobicContact CB-CD1 4.05Å; R2509-L2578 HydrophobicContact CB-CD2 3.99Å; R2509-L2578 HydrophobicContact CG-CD2 4.08Å |
| 2510 | D | 82.2 | Confident | 77.1 | Confident | 10.3333 Ų | 10.3333 | 42.2 Ų | 42.2 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -76.2 | -28.3 | -175.4 | -79.6 | -52.1 | 0 | 0 | 0 | 114.1 | R2415 R2419 I2506 L2507 I2508 L2514 | R2415-D2510 HydrophobicContact CG-CB 4.17Å; R2415-D2510 VanDerWaalsContact CZ-CG 3.44Å; R2415-D2510 IonicContact CZ-OD1 3.48Å; R2415-D2510 IonicContact CZ-OD2 2.91Å; R2415-D2510 IonicContact NE-OD1 3.74Å; R2415-D2510 IonicContact NE-OD2 3.09Å; R2415-D2510 PolarHBondContact NE-OD2 3.15Å; R2415-D2510 IonicContact NH1-OD2 3.23Å; R2415-D2510 VanDerWaalsContact NH2-CG 3.27Å; R2415-D2510 IonicContact NH2-OD1 3.3Å; R2415-D2510 PolarHBondContact NH2-OD1 3.07Å; R2415-D2510 IonicContact NH2-OD2 3.44Å; R2415-D2510 PolarHBondContact NH2-OD2 3.24Å; R2419-D2510 VanDerWaalsContact CZ-CB 3.49Å; R2419-D2510 VanDerWaalsContact CZ-O 3.32Å; R2419-D2510 IonicContact CZ-OD1 3.26Å; R2419-D2510 PolarHBondContact NE-O 2.82Å; R2419-D2510 VanDerWaalsContact NE-O 3.15Å; R2419-D2510 IonicContact NH1-OD1 3.26Å; R2419-D2510 PolarHBondContact NH1-OD1 3.08Å; R2419-D2510 VanDerWaalsContact NH2-CB 3.28Å; R2419-D2510 VanDerWaalsContact NH2-CG 3.26Å; R2419-D2510 PolarHBondContact NH2-O 3.08Å; R2419-D2510 IonicContact NH2-OD1 2.71Å; R2419-D2510 PolarHBondContact NH2-OD1 3.23Å; I2506-D2510 WeakPolarHBondContact CG2-OD2 3.32Å; I2506-D2510 VanDerWaalsContact O-CB 3.28Å; I2506-D2510 WeakPolarHBondContact O-CB 3.29Å; I2506-D2510 VanDerWaalsContact O-CG 3.28Å; I2506-D2510 PolarHBondContact O-N 2.99Å; I2506-D2510 VanDerWaalsContact O-OD2 3.08Å; L2507-D2510 PolarHBondContact O-N 3.24Å; L2507-D2510 VanDerWaalsContact O-N 3.12Å; I2508-D2510 VanDerWaalsContact C-N 3.25Å; I2508-D2510 PolarHBondContact O-N 2.93Å; D2510-L2514 WeakPolarHBondContact O-CD1 3.4Å |
| 2511 | L | 83.9 | Confident | 76.2 | Confident | 1.66667 Ų | 1.66667 | 43.3 Ų | 43.3 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -82.9 | -38 | 176.4 | -68.5 | -178.5 | 0 | 0 | 0 | 113 | I2418 L2485 L2507 I2508 N2513 L2514 L2544 L2552 | I2418-L2511 HydrophobicContact CB-CD2 3.97Å; I2418-L2511 HydrophobicContact CD1-CD1 4.4Å; I2418-L2511 HydrophobicContact CD1-CD2 4.11Å; I2418-L2511 HydrophobicContact CG2-CD2 3.6Å; L2485-L2511 HydrophobicContact CD1-CD1 3.69Å; L2485-L2511 HydrophobicContact CD2-CD1 3.78Å; L2507-L2511 HydrophobicContact CD1-CD1 3.92Å; L2507-L2511 HydrophobicContact CD1-CG 4.1Å; L2507-L2511 HydrophobicContact CD2-CD1 4.15Å; L2507-L2511 HydrophobicContact CD2-CG 4.3Å; L2507-L2511 HydrophobicContact CG-CD1 3.94Å; L2507-L2511 HydrophobicContact CG-CG 4.37Å; L2507-L2511 WeakPolarHBondContact O-CB 3.42Å; L2507-L2511 VanDerWaalsContact O-CG 3.29Å; L2507-L2511 WeakPolarHBondContact O-CG 3.38Å; L2507-L2511 PolarHBondContact O-N 3.27Å; I2508-L2511 PolarHBondContact O-N 3.03Å; L2511-N2513 PolarHBondContact O-N 3.1Å; L2511-L2514 WeakPolarHBondContact O-CB 3.33Å; L2511-L2514 PolarHBondContact O-N 3.2Å; L2511-L2514 VanDerWaalsContact O-N 3.11Å; L2511-L2544 WeakPolarHBondContact O-CD1 3.48Å; L2511-L2552 HydrophobicContact CB-CD1 4.16Å; L2511-L2552 HydrophobicContact CB-CD2 4.15Å; L2511-L2552 HydrophobicContact CD1-CD1 4.1Å |
| 2512 | I | 82.8 | Confident | 74.9 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.6 | -27.6 | 177.1 | -68.6 | 174.8 | 0 | 0 | 0 | 111.4 | I2508 L2514 L2552 L2578 R2581 L2582 | I2508-I2512 HydrophobicContact CG2-CD1 3.45Å; I2508-I2512 VanDerWaalsContact CG2-CD1 3.4Å; I2508-I2512 HydrophobicContact CG2-CG1 4.14Å; I2508-I2512 WeakPolarHBondContact O-CB 3.37Å; I2508-I2512 VanDerWaalsContact O-CG1 3.27Å; I2508-I2512 WeakPolarHBondContact O-CG1 3.38Å; I2508-I2512 PolarHBondContact O-N 3.14Å; I2512-L2514 VanDerWaalsContact C-N 3.29Å; I2512-L2514 PolarHBondContact O-N 3.36Å; I2512-L2552 HydrophobicContact CB-CD2 4.5Å; I2512-L2552 HydrophobicContact CG1-CD2 3.65Å; I2512-L2552 HydrophobicContact CG1-CG 4.25Å; I2512-L2578 HydrophobicContact CD1-CB 4.18Å; I2512-L2578 HydrophobicContact CD1-CD2 4.25Å; I2512-R2581 HydrophobicContact CG2-CB 3.68Å; I2512-R2581 VanDerWaalsContact CG2-CD 3.5Å; I2512-R2581 HydrophobicContact CG2-CG 3.81Å; I2512-R2581 VanDerWaalsContact CG2-CG 3.47Å; I2512-L2582 HydrophobicContact CD1-CB 4.04Å; I2512-L2582 HydrophobicContact CD1-CD1 4.26Å; I2512-L2582 HydrophobicContact CD1-CD2 4.41Å; I2512-L2582 HydrophobicContact CD1-CG 4.46Å; I2512-L2582 HydrophobicContact CG1-CD1 4.2Å |
| 2513 | N | 80.3 | Confident | 73.5 | Confident | 77.6667 Ų | 77.6667 | 45.9 Ų | 45.9 | 42% | 0.415 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1.2 | 179.5 | -67.4 | -16.2 | 0 | 0 | 0 | 114.5 | R2509 L2511 R2581 | R2509-N2513 VanDerWaalsContact O-CG 3.29Å; R2509-N2513 PolarHBondContact O-ND2 3.22Å; R2509-N2513 VanDerWaalsContact O-ND2 3.1Å; R2509-N2513 PolarHBondContact O-OD1 2.64Å; L2511-N2513 PolarHBondContact O-N 3.1Å; N2513-R2581 PolarHBondContact OD1-NH1 3.14Å |
| 2514 | L | 80.1 | Confident | 72.2 | Confident | 11.6667 Ų | 11.6667 | 47.3 Ų | 47.3 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -75.3 | 145.1 | 172.2 | -105.9 | 60.7 | 0 | 0 | 0 | 110.2 | I2418 R2419 D2510 L2511 I2512 I2541 L2542 L2544 | I2418-L2514 HydrophobicContact CG2-CD2 4.21Å; R2419-L2514 HydrophobicContact CB-CD1 4.42Å; R2419-L2514 HydrophobicContact CG-CD1 3.8Å; D2510-L2514 WeakPolarHBondContact O-CD1 3.4Å; L2511-L2514 WeakPolarHBondContact O-CB 3.33Å; L2511-L2514 PolarHBondContact O-N 3.2Å; L2511-L2514 VanDerWaalsContact O-N 3.11Å; I2512-L2514 VanDerWaalsContact C-N 3.29Å; I2512-L2514 PolarHBondContact O-N 3.36Å; L2514-I2541 HydrophobicContact CD1-CG2 3.65Å; L2514-I2541 HydrophobicContact CG-CG2 3.79Å; L2514-L2542 WeakPolarHBondContact CD2-O 3.4Å; L2514-L2542 WeakPolarHBondContact CG-O 3.35Å; L2514-L2544 HydrophobicContact CB-CD1 3.54Å; L2514-L2544 HydrophobicContact CB-CG 4.27Å; L2514-L2544 HydrophobicContact CD2-CD1 4.22Å; L2514-L2544 HydrophobicContact CD2-CG 4.15Å |
| 2515 | P | 76.3 | Confident | 70.7 | Confident | 69.6667 Ų | 69.6667 | 47.7 Ų | 47.7 | 45% | 0.452 | 25% | 0.247 | S | C | . | . | trans | -58.9 | 152.9 | 171.1 | 23.8 | -30.8 | 0 | 0 | 0 | 110.5 | I2541 G2543 L2544 | P2515-I2541 HydrophobicContact CG-CG2 4.12Å; P2515-G2543 CarbonylContact O-C 3.59Å; P2515-G2543 VanDerWaalsContact O-C 3.28Å; P2515-G2543 WeakPolarHBondContact O-CA 3.32Å; P2515-L2544 PolarHBondContact O-N 3.06Å | ||
| 2516 | T | 75.3 | Confident | 69 | Low | 41.3333 Ų | 41.3333 | 49.1 Ų | 49.1 | 25% | 0.254 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -111.6 | 133.1 | -177.5 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | I2518 I2549 T2585 | T2516-I2518 PolarHBondContact O-N 3.08Å; T2516-I2549 HydrophobicContact CG2-CD1 3.39Å; T2516-I2549 VanDerWaalsContact CG2-CD1 3.43Å; T2516-I2549 HydrophobicContact CG2-CG1 4.23Å; T2516-T2585 HydrophobicContact CG2-CG2 3.92Å |
| 2517 | I | 71.2 | Confident | 67.3 | Low | 23.3333 Ų | 23.3333 | 51.4 Ų | 51.4 | 12% | 0.12 | 27% | 0.266 | C | S | . | . | trans | -86.8 | 90.8 | 179.6 | -55.6 | 176.2 | 0 | 0 | 0 | 108.4 | I2478 Y2520 I2528 G2543 L2544 P2546 | I2478-I2517 HydrophobicContact CD1-CD1 3.74Å; I2478-I2517 HydrophobicContact CG1-CD1 4.17Å; I2517-Y2520 HydrophobicContact CB-CE2 4.2Å; I2517-Y2520 HydrophobicContact CG2-CD2 4.17Å; I2517-Y2520 HydrophobicContact CG2-CE2 3.78Å; I2517-I2528 HydrophobicContact CD1-CD1 4.29Å; I2517-I2528 HydrophobicContact CG1-CD1 4.42Å; I2517-I2528 HydrophobicContact CG2-CD1 4.36Å; I2517-G2543 VanDerWaalsContact CD1-O 3.29Å; I2517-G2543 WeakPolarHBondContact CD1-O 3.31Å; I2517-L2544 PolarHBondContact N-O 3.28Å; I2517-P2546 WeakPolarHBondContact O-CD 3.32Å; I2517-P2546 WeakPolarHBondContact O-CG 3.41Å | ||
| 2518 | I | 65.2 | Low | 65.7 | Low | 63 Ų | 63 | 55 Ų | 55 | 32% | 0.323 | 29% | 0.285 | S | S | . | . | trans | -81.3 | -34.8 | -174.9 | -60.7 | 171.4 | 0 | 0 | 0 | 112.2 | T2516 A2588 S2592 | T2516-I2518 PolarHBondContact O-N 3.08Å; I2518-A2588 HydrophobicContact CD1-CB 4.01Å; I2518-A2588 HydrophobicContact CG1-CB 4.48Å; I2518-A2588 WeakPolarHBondContact CG2-O 3.21Å; I2518-S2592 VanDerWaalsContact CG2-CB 3.48Å | ||
| 2519 | N | 60.1 | Low | 63.8 | Low | 66 Ų | 66 | 56 Ų | 56 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | trans | -112.2 | 100.4 | -176.7 | -143.3 | -0.7 | 0 | 0 | 0 | 111.3 | N2521 N2524 | N2519-N2521 VanDerWaalsContact C-N 3.28Å; N2519-N2521 PolarHBondContact O-N 2.93Å; N2519-N2521 VanDerWaalsContact OD1-CG 3.22Å; N2519-N2521 PolarHBondContact OD1-ND2 3.15Å; N2519-N2521 PolarHBondContact OD1-OD1 3.31Å; N2519-N2524 PolarHBondContact ND2-ND2 3.27Å | ||
| 2520 | Y | 58.6 | Low | 61.7 | Low | 52.3333 Ų | 52.3333 | 55 Ų | 55 | 21% | 0.205 | 30% | 0.296 | C | S | . | . | trans | -76.2 | 55.5 | 175.9 | -107.9 | -88.8 | 0 | 0 | 0 | 112 | F2338 I2340 E2341 T2342 G2343 I2478 I2517 H2522 I2525 S2545 P2546 | F2338-Y2520 WeakPolarHBondContact CE2-OH 3.41Å; F2338-Y2520 HydrophobicContact CZ-CE1 4.07Å; F2338-Y2520 HydrophobicContact CZ-CE2 4.08Å; F2338-Y2520 WeakPolarHBondContact CZ-OH 3.42Å; I2340-Y2520 HydrophobicContact CD1-CE2 4.34Å; I2340-Y2520 WeakPolarHBondContact O-CE1 3.39Å; I2340-Y2520 PolarHBondContact O-OH 2.76Å; E2341-Y2520 WeakPolarHBondContact O-CD1 3.46Å; T2342-Y2520 VanDerWaalsContact C-CD1 3.42Å; T2342-Y2520 WeakPolarHBondContact O-CB 3.36Å; G2343-Y2520 VanDerWaalsContact CA-CZ 3.4Å; I2478-Y2520 WeakPolarHBondContact CG2-OH 3.49Å; I2517-Y2520 HydrophobicContact CB-CE2 4.2Å; I2517-Y2520 HydrophobicContact CG2-CD2 4.17Å; I2517-Y2520 HydrophobicContact CG2-CE2 3.78Å; Y2520-H2522 PolarHBondContact O-N 3.43Å; Y2520-I2525 HydrophobicContact CD1-CD1 4.08Å; Y2520-I2525 HydrophobicContact CD2-CD1 3.67Å; Y2520-I2525 HydrophobicContact CE1-CD1 4.1Å; Y2520-I2525 HydrophobicContact CE2-CD1 3.32Å; Y2520-I2525 HydrophobicContact CG-CD1 4.05Å; Y2520-S2545 WeakPolarHBondContact OH-CB 3.44Å; Y2520-P2546 HydrophobicContact CD2-CG 4.44Å; Y2520-P2546 VanDerWaalsContact CE2-CD 3.42Å; Y2520-P2546 HydrophobicContact CE2-CG 4.31Å | ||
| 2521 | N | 55.4 | Low | 59.6 | Low | 79.6667 Ų | 79.6667 | 58.3 Ų | 58.3 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | trans | -87.7 | 129 | 171.6 | -73.6 | -1.9 | 0 | 0 | 0 | 108.8 | N2519 T2523 N2524 I2525 | N2519-N2521 VanDerWaalsContact C-N 3.28Å; N2519-N2521 PolarHBondContact O-N 2.93Å; N2519-N2521 VanDerWaalsContact OD1-CG 3.22Å; N2519-N2521 PolarHBondContact OD1-ND2 3.15Å; N2519-N2521 PolarHBondContact OD1-OD1 3.31Å; N2521-T2523 PolarHBondContact O-N 3.38Å; N2521-N2524 HydrophobicContact CB-CB 4.27Å; N2521-N2524 WeakPolarHBondContact O-CB 3.09Å; N2521-N2524 PolarHBondContact O-N 3.34Å; N2521-I2525 PolarHBondContact O-N 3.16Å; N2521-I2525 VanDerWaalsContact O-N 3.13Å | ||
| 2522 | H | 47.9 | Very low | 57.5 | Low | 112.333 Ų | 112.333 | 62.5 Ų | 62.5 | 52% | 0.52 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -52.6 | -30.7 | -177.9 | -163.7 | 23.7 | 0 | 0 | 0 | 112.9 | I2475 Y2520 M2526 | I2475-H2522 VanDerWaalsContact CD1-CE1 3.45Å; I2475-H2522 WeakPolarHBondContact CD1-CE1 3.45Å; Y2520-H2522 PolarHBondContact O-N 3.43Å; H2522-M2526 WeakPolarHBondContact O-CG 3.46Å; H2522-M2526 PolarHBondContact O-N 3.05Å |
| 2523 | T | 49.4 | Very low | 55.3 | Low | 93.6667 Ų | 93.6667 | 67.1 Ų | 67.1 | 58% | 0.575 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.5 | -37.8 | 174.1 | 49.3 | 0 | 0 | 0 | 0 | 114 | N2521 I2525 M2526 N2527 | N2521-T2523 PolarHBondContact O-N 3.38Å; T2523-I2525 VanDerWaalsContact C-N 3.29Å; T2523-I2525 PolarHBondContact O-N 3.33Å; T2523-M2526 WeakPolarHBondContact O-CB 3.28Å; T2523-M2526 PolarHBondContact O-N 3.07Å; T2523-N2527 PolarHBondContact O-N 3.12Å; T2523-N2527 VanDerWaalsContact O-N 3.13Å |
| 2524 | N | 51.3 | Low | 53.1 | Low | 65.6667 Ų | 65.6667 | 68.6 Ų | 68.6 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.4 | -35 | 177.3 | -75 | -16.6 | 0 | 0 | 0 | 111.8 | N2519 N2521 M2526 N2527 I2528 | N2519-N2524 PolarHBondContact ND2-ND2 3.27Å; N2521-N2524 HydrophobicContact CB-CB 4.27Å; N2521-N2524 WeakPolarHBondContact O-CB 3.09Å; N2521-N2524 PolarHBondContact O-N 3.34Å; N2524-M2526 VanDerWaalsContact C-N 3.32Å; N2524-M2526 PolarHBondContact O-N 2.92Å; N2524-N2527 PolarHBondContact O-N 3.31Å; N2524-N2527 VanDerWaalsContact O-N 3.1Å; N2524-I2528 WeakPolarHBondContact O-CG1 3.24Å; N2524-I2528 PolarHBondContact O-N 2.82Å |
| 2525 | I | 51.3 | Low | 50.8 | Low | 17 Ų | 17 | 74.3 Ų | 74.3 | 9% | 0.087 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 174.2 | -60.4 | 172.8 | 0 | 0 | 0 | 110 | I2475 I2478 Y2520 N2521 T2523 N2527 I2528 T2529 | I2475-I2525 HydrophobicContact CD1-CG2 4.45Å; I2475-I2525 HydrophobicContact CG1-CG2 4.14Å; I2478-I2525 HydrophobicContact CD1-CG2 4.38Å; Y2520-I2525 HydrophobicContact CD1-CD1 4.08Å; Y2520-I2525 HydrophobicContact CD2-CD1 3.67Å; Y2520-I2525 HydrophobicContact CE1-CD1 4.1Å; Y2520-I2525 HydrophobicContact CE2-CD1 3.32Å; Y2520-I2525 HydrophobicContact CG-CD1 4.05Å; N2521-I2525 PolarHBondContact O-N 3.16Å; N2521-I2525 VanDerWaalsContact O-N 3.13Å; T2523-I2525 VanDerWaalsContact C-N 3.29Å; T2523-I2525 PolarHBondContact O-N 3.33Å; I2525-N2527 VanDerWaalsContact C-N 3.3Å; I2525-N2527 PolarHBondContact O-N 2.95Å; I2525-I2528 PolarHBondContact O-N 3.22Å; I2525-T2529 HydrophobicContact CG2-CG2 4.14Å; I2525-T2529 WeakPolarHBondContact O-CB 3.47Å; I2525-T2529 VanDerWaalsContact O-CG2 3.3Å; I2525-T2529 WeakPolarHBondContact O-CG2 3.41Å; I2525-T2529 PolarHBondContact O-N 3.29Å; I2525-T2529 PolarHBondContact O-OG1 3.12Å |
| 2526 | M | 44.6 | Very low | 48.7 | Very low | 71 Ų | 71 | 76.4 Ų | 76.4 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 173 | -69 | -141.1 | -156.3 | 0 | 0 | 112.5 | M2468 T2471 H2522 T2523 N2524 I2528 T2529 T2530 | M2468-M2526 HydrophobicContact CE-CE 3.95Å; M2468-M2526 HydrophobicContact CE-SD 4.41Å; T2471-M2526 HydrophobicContact CG2-CE 4.17Å; T2471-M2526 HydrophobicContact CG2-SD 3.92Å; H2522-M2526 WeakPolarHBondContact O-CG 3.46Å; H2522-M2526 PolarHBondContact O-N 3.05Å; T2523-M2526 WeakPolarHBondContact O-CB 3.28Å; T2523-M2526 PolarHBondContact O-N 3.07Å; N2524-M2526 VanDerWaalsContact C-N 3.32Å; N2524-M2526 PolarHBondContact O-N 2.92Å; M2526-I2528 PolarHBondContact O-N 3.38Å; M2526-T2529 WeakPolarHBondContact CA-OG1 3.28Å; M2526-T2529 CarbonylContact O-C 3.57Å; M2526-T2529 WeakPolarHBondContact O-CA 3.26Å; M2526-T2529 PolarHBondContact O-N 3.14Å; M2526-T2529 PolarHBondContact O-OG1 3.04Å; M2526-T2529 VanDerWaalsContact O-OG1 3.09Å; M2526-T2530 WeakPolarHBondContact O-CB 3Å; M2526-T2530 WeakPolarHBondContact O-CG2 3.39Å; M2526-T2530 PolarHBondContact O-N 3.1Å; M2526-T2530 VanDerWaalsContact O-N 3.15Å; M2526-T2530 PolarHBondContact O-OG1 3.14Å |
| 2527 | N | 47.1 | Very low | 46.7 | Very low | 110 Ų | 110 | 80.8 Ų | 80.8 | 59% | 0.588 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.2 | -31.3 | 178.2 | -72.2 | -7.9 | 0 | 0 | 0 | 113.2 | T2523 N2524 I2525 T2529 S2531 | T2523-N2527 PolarHBondContact O-N 3.12Å; T2523-N2527 VanDerWaalsContact O-N 3.13Å; N2524-N2527 PolarHBondContact O-N 3.31Å; N2524-N2527 VanDerWaalsContact O-N 3.1Å; I2525-N2527 VanDerWaalsContact C-N 3.3Å; I2525-N2527 PolarHBondContact O-N 2.95Å; N2527-T2529 VanDerWaalsContact C-N 3.27Å; N2527-T2529 PolarHBondContact O-N 3.33Å; N2527-S2531 PolarHBondContact O-N 3.49Å; N2527-S2531 PolarHBondContact O-OG 3.12Å |
| 2528 | I | 48.2 | Very low | 44.9 | Very low | 77.3333 Ų | 77.3333 | 85.3 Ų | 85.3 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.7 | -26.5 | 173.3 | -64.4 | 168.1 | 0 | 0 | 0 | 111 | I2517 N2524 I2525 M2526 S2531 L2542 | I2517-I2528 HydrophobicContact CD1-CD1 4.29Å; I2517-I2528 HydrophobicContact CG1-CD1 4.42Å; I2517-I2528 HydrophobicContact CG2-CD1 4.36Å; N2524-I2528 WeakPolarHBondContact O-CG1 3.24Å; N2524-I2528 PolarHBondContact O-N 2.82Å; I2525-I2528 PolarHBondContact O-N 3.22Å; M2526-I2528 PolarHBondContact O-N 3.38Å; I2528-S2531 PolarHBondContact O-OG 3.09Å; I2528-L2542 HydrophobicContact CG2-CD2 3.92Å |
| 2529 | T | 45.4 | Very low | 43.8 | Very low | 19.3333 Ų | 19.3333 | 86 Ų | 86 | 12% | 0.119 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -101.1 | -26.2 | -175.6 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | S2473 I2525 M2526 N2527 S2531 T2532 | S2473-T2529 VanDerWaalsContact OG-CG2 3.32Å; S2473-T2529 WeakPolarHBondContact OG-CG2 3.44Å; I2525-T2529 HydrophobicContact CG2-CG2 4.14Å; I2525-T2529 WeakPolarHBondContact O-CB 3.47Å; I2525-T2529 VanDerWaalsContact O-CG2 3.3Å; I2525-T2529 WeakPolarHBondContact O-CG2 3.41Å; I2525-T2529 PolarHBondContact O-N 3.29Å; I2525-T2529 PolarHBondContact O-OG1 3.12Å; M2526-T2529 WeakPolarHBondContact CA-OG1 3.28Å; M2526-T2529 CarbonylContact O-C 3.57Å; M2526-T2529 WeakPolarHBondContact O-CA 3.26Å; M2526-T2529 PolarHBondContact O-N 3.14Å; M2526-T2529 PolarHBondContact O-OG1 3.04Å; M2526-T2529 VanDerWaalsContact O-OG1 3.09Å; N2527-T2529 VanDerWaalsContact C-N 3.27Å; N2527-T2529 PolarHBondContact O-N 3.33Å; T2529-S2531 VanDerWaalsContact C-N 3.3Å; T2529-S2531 PolarHBondContact O-N 3.02Å; T2529-T2532 WeakPolarHBondContact O-CB 3.28Å; T2529-T2532 WeakPolarHBondContact O-CG2 3.2Å; T2529-T2532 PolarHBondContact O-N 3.35Å; T2529-T2532 VanDerWaalsContact O-N 3.1Å; T2529-T2532 PolarHBondContact O-OG1 3.21Å |
| 2530 | T | 39.6 | Very low | 43.3 | Very low | 81 Ų | 81 | 86.5 Ų | 86.5 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -80.9 | -21.7 | -176 | 48.4 | 0 | 0 | 0 | 0 | 114 | M2526 T2532 T2533 | M2526-T2530 WeakPolarHBondContact O-CB 3Å; M2526-T2530 WeakPolarHBondContact O-CG2 3.39Å; M2526-T2530 PolarHBondContact O-N 3.1Å; M2526-T2530 VanDerWaalsContact O-N 3.15Å; M2526-T2530 PolarHBondContact O-OG1 3.14Å; T2530-T2532 PolarHBondContact O-N 3.15Å; T2530-T2532 VanDerWaalsContact O-N 3.08Å; T2530-T2533 PolarHBondContact O-N 3.41Å; T2530-T2533 PolarHBondContact O-OG1 3.33Å |
| 2531 | S | 38.1 | Very low | 43.2 | Very low | 78.6667 Ų | 78.6667 | 88.7 Ų | 88.7 | 55% | 0.55 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 2.4 | 174.6 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | N2527 I2528 T2529 T2533 | N2527-S2531 PolarHBondContact O-N 3.49Å; N2527-S2531 PolarHBondContact O-OG 3.12Å; I2528-S2531 PolarHBondContact O-OG 3.09Å; T2529-S2531 VanDerWaalsContact C-N 3.3Å; T2529-S2531 PolarHBondContact O-N 3.02Å; S2531-T2533 VanDerWaalsContact C-N 3.34Å; S2531-T2533 PolarHBondContact O-N 2.96Å |
| 2532 | T | 38.8 | Very low | 43.7 | Very low | 89 Ų | 89 | 85.8 Ų | 85.8 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -81.4 | -6.8 | 178.9 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | T2529 T2530 | T2529-T2532 WeakPolarHBondContact O-CB 3.28Å; T2529-T2532 WeakPolarHBondContact O-CG2 3.2Å; T2529-T2532 PolarHBondContact O-N 3.35Å; T2529-T2532 VanDerWaalsContact O-N 3.1Å; T2529-T2532 PolarHBondContact O-OG1 3.21Å; T2530-T2532 PolarHBondContact O-N 3.15Å; T2530-T2532 VanDerWaalsContact O-N 3.08Å |
| 2533 | T | 36.6 | Very low | 45 | Very low | 110 Ų | 110 | 80.8 Ų | 80.8 | 68% | 0.675 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -110.7 | 16.1 | 178.4 | 52.5 | 0 | 0 | 0 | 0 | 114 | T2530 S2531 | T2530-T2533 PolarHBondContact O-N 3.41Å; T2530-T2533 PolarHBondContact O-OG1 3.33Å; S2531-T2533 VanDerWaalsContact C-N 3.34Å; S2531-T2533 PolarHBondContact O-N 2.96Å |
| 2534 | T | 34.7 | Very low | 46.4 | Very low | 107.667 Ų | 107.667 | 76.4 Ų | 76.4 | 66% | 0.661 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -82.6 | 103 | -179.8 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | T2536 | T2534-T2536 VanDerWaalsContact C-N 3.34Å; T2534-T2536 PolarHBondContact O-N 3.37Å |
| 2535 | T | 32.1 | Very low | 47.9 | Very low | 132 Ų | 132 | 73.4 Ų | 73.4 | 81% | 0.81 | 44% | 0.443 | S | S | * | . | trans | 15.9 | 106.2 | 154.5 | 52.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2536 | T | 32.2 | Very low | 49.2 | Very low | 114 Ų | 114 | 72.7 Ų | 72.7 | 70% | 0.699 | 44% | 0.439 | S | S | * | . | trans | 157.3 | 127.4 | 149.7 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | T2534 T2538 | T2534-T2536 VanDerWaalsContact C-N 3.34Å; T2534-T2536 PolarHBondContact O-N 3.37Å; T2536-T2538 PolarHBondContact O-N 3.15Å | ||
| 2537 | T | 33.3 | Very low | 50.9 | Low | 133 Ų | 133 | 69.4 Ų | 69.4 | 82% | 0.816 | 42% | 0.423 | S | S | * | . | trans | -44.3 | 46.6 | 173.6 | 48.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2538 | T | 33.6 | Very low | 52.6 | Low | 119.333 Ų | 119.333 | 64.1 Ų | 64.1 | 73% | 0.732 | 40% | 0.395 | S | S | * | . | trans | -115.7 | 109.2 | 162.9 | 53.7 | 0 | 0 | 0 | 0 | 109.2 | T2536 S2540 | T2536-T2538 PolarHBondContact O-N 3.15Å; T2538-S2540 PolarHBondContact O-N 3.18Å | ||
| 2539 | S | 40.8 | Very low | 54.3 | Low | 77 Ų | 77 | 60.6 Ų | 60.6 | 54% | 0.538 | 38% | 0.377 | S | S | . | . | trans | -59.4 | 108.7 | 169.8 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | I2541 | S2539-I2541 PolarHBondContact O-N 3.16Š| ||
| 2540 | S | 49.7 | Very low | 56.3 | Low | 77.3333 Ų | 77.3333 | 59.7 Ų | 59.7 | 54% | 0.541 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -68 | 112 | -178.4 | 51 | 0 | 0 | 0 | 0 | 110.2 | T2538 L2542 | T2538-S2540 PolarHBondContact O-N 3.18Å; S2540-L2542 PolarHBondContact O-N 3.28Å |
| 2541 | I | 58.1 | Low | 58.4 | Low | 98.3333 Ų | 98.3333 | 55.9 Ų | 55.9 | 50% | 0.504 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 116.6 | 176 | -58.4 | 171.1 | 0 | 0 | 0 | 107.4 | L2514 P2515 S2539 | L2514-I2541 HydrophobicContact CD1-CG2 3.65Å; L2514-I2541 HydrophobicContact CG-CG2 3.79Å; P2515-I2541 HydrophobicContact CG-CG2 4.12Å; S2539-I2541 PolarHBondContact O-N 3.16Å |
| 2542 | L | 65.7 | Low | 60.7 | Low | 17.6667 Ų | 17.6667 | 52.3 Ų | 52.3 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 135.4 | 176.6 | -71.7 | 142.7 | 0 | 0 | 0 | 110 | P2421 L2477 L2514 I2528 S2540 | P2421-L2542 HydrophobicContact CG-CD1 3.73Å; L2477-L2542 HydrophobicContact CD2-CD1 3.18Å; L2477-L2542 HydrophobicContact CD2-CD2 4.08Å; L2477-L2542 HydrophobicContact CD2-CG 4.24Å; L2477-L2542 HydrophobicContact CG-CD1 3.84Å; L2514-L2542 WeakPolarHBondContact CD2-O 3.4Å; L2514-L2542 WeakPolarHBondContact CG-O 3.35Å; I2528-L2542 HydrophobicContact CG2-CD2 3.92Å; S2540-L2542 PolarHBondContact O-N 3.28Å |
| 2543 | G | 73.4 | Confident | 63.1 | Low | 7.33333 Ų | 7.33333 | 48.1 Ų | 48.1 | 8% | 0.076 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 154.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q2481 P2515 I2517 | Q2481-G2543 PolarHBondContact OE1-O 3.33Å; P2515-G2543 CarbonylContact O-C 3.59Å; P2515-G2543 VanDerWaalsContact O-C 3.28Å; P2515-G2543 WeakPolarHBondContact O-CA 3.32Å; I2517-G2543 VanDerWaalsContact CD1-O 3.29Å; I2517-G2543 WeakPolarHBondContact CD1-O 3.31Å |
| 2544 | L | 80.5 | Confident | 65.4 | Low | 2.66667 Ų | 2.66667 | 43.5 Ų | 43.5 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -75.8 | 141.2 | 176.2 | -127.8 | 90.6 | 0 | 0 | 0 | 110.8 | I2418 Q2481 L2485 L2511 L2514 P2515 I2517 I2549 L2552 | I2418-L2544 HydrophobicContact CG2-CD1 4.22Å; Q2481-L2544 HydrophobicContact CB-CD1 4.5Å; L2485-L2544 HydrophobicContact CD1-CD1 4.1Å; L2485-L2544 HydrophobicContact CD1-CD2 3.87Å; L2485-L2544 HydrophobicContact CD1-CG 4.39Å; L2511-L2544 WeakPolarHBondContact O-CD1 3.48Å; L2514-L2544 HydrophobicContact CB-CD1 3.54Å; L2514-L2544 HydrophobicContact CB-CG 4.27Å; L2514-L2544 HydrophobicContact CD2-CD1 4.22Å; L2514-L2544 HydrophobicContact CD2-CG 4.15Å; P2515-L2544 PolarHBondContact O-N 3.06Å; I2517-L2544 PolarHBondContact N-O 3.28Å; L2544-I2549 HydrophobicContact CB-CD1 4.43Å; L2544-I2549 HydrophobicContact CB-CG1 4.16Å; L2544-I2549 HydrophobicContact CD2-CG1 3.96Å; L2544-I2549 HydrophobicContact CG-CG1 4.45Å; L2544-L2552 HydrophobicContact CD2-CD2 4.33Å |
| 2545 | S | 81.5 | Confident | 67.8 | Low | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 158 | 169.7 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | T2482 Y2520 A2547 G2548 I2549 | T2482-S2545 PolarHBondContact OG1-OG 3.15Å; T2482-S2545 VanDerWaalsContact OG1-OG 3.06Å; Y2520-S2545 WeakPolarHBondContact OH-CB 3.44Å; S2545-A2547 VanDerWaalsContact C-N 3.27Å; S2545-A2547 PolarHBondContact O-N 3.45Å; S2545-G2548 WeakPolarHBondContact O-CA 3.24Å; S2545-G2548 PolarHBondContact O-N 3.14Å; S2545-G2548 PolarHBondContact OG-N 3.23Å; S2545-G2548 VanDerWaalsContact OG-N 3.16Å; S2545-I2549 WeakPolarHBondContact O-CG1 3.17Å; S2545-I2549 PolarHBondContact O-N 3.02Å; S2545-I2549 VanDerWaalsContact O-N 3.07Å |
| 2546 | P | 79.2 | Confident | 70.5 | Confident | 2.66667 Ų | 2.66667 | 32.2 Ų | 32.2 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.3 | -43.9 | 168.8 | -28.1 | 36.3 | 0 | 0 | 0 | 112.6 | G2343 I2517 Y2520 G2548 I2549 F2550 I2589 V2721 | G2343-P2546 WeakPolarHBondContact O-CD 3.23Å; I2517-P2546 WeakPolarHBondContact O-CD 3.32Å; I2517-P2546 WeakPolarHBondContact O-CG 3.41Å; Y2520-P2546 HydrophobicContact CD2-CG 4.44Å; Y2520-P2546 VanDerWaalsContact CE2-CD 3.42Å; Y2520-P2546 HydrophobicContact CE2-CG 4.31Å; P2546-G2548 VanDerWaalsContact C-N 3.32Å; P2546-G2548 PolarHBondContact O-N 3Å; P2546-I2549 WeakPolarHBondContact O-CB 3.34Å; P2546-I2549 PolarHBondContact O-N 3.12Å; P2546-I2549 VanDerWaalsContact O-N 3.09Å; P2546-F2550 HydrophobicContact CB-CE2 4.36Å; P2546-F2550 HydrophobicContact CB-CZ 4.2Å; P2546-F2550 VanDerWaalsContact O-CD1 3.29Å; P2546-F2550 WeakPolarHBondContact O-CD1 3.36Å; P2546-F2550 VanDerWaalsContact O-CG 3.23Å; P2546-F2550 WeakPolarHBondContact O-CG 3.39Å; P2546-F2550 PolarHBondContact O-N 3.11Å; P2546-I2589 HydrophobicContact CB-CD1 4.02Å; P2546-I2589 HydrophobicContact CB-CG1 4.43Å; P2546-I2589 HydrophobicContact CB-CG2 4.22Å; P2546-I2589 HydrophobicContact CG-CD1 4.45Å; P2546-V2721 HydrophobicContact CB-CG1 3.42Å; P2546-V2721 VanDerWaalsContact CB-CG1 3.42Å; P2546-V2721 HydrophobicContact CG-CG1 3.98Å |
| 2547 | A | 80 | Confident | 73 | Confident | 1.33333 Ų | 1.33333 | 27.8 Ų | 27.8 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.3 | -42.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F2338 G2343 L2345 T2482 S2545 I2549 F2550 I2551 | F2338-A2547 HydrophobicContact CB-CB 4.33Å; F2338-A2547 HydrophobicContact CD1-CB 3.65Å; F2338-A2547 HydrophobicContact CD2-CB 3.84Å; F2338-A2547 VanDerWaalsContact CD2-CB 3.46Å; F2338-A2547 HydrophobicContact CE1-CB 3.72Å; F2338-A2547 HydrophobicContact CE2-CB 3.53Å; F2338-A2547 HydrophobicContact CG-CB 3.53Å; F2338-A2547 HydrophobicContact CZ-CB 3.66Å; G2343-A2547 PolarHBondContact O-N 3.1Å; L2345-A2547 HydrophobicContact CD2-CB 4.05Å; L2345-A2547 HydrophobicContact CG-CB 4.45Å; T2482-A2547 HydrophobicContact CG2-CB 3.85Å; S2545-A2547 VanDerWaalsContact C-N 3.27Å; S2545-A2547 PolarHBondContact O-N 3.45Å; A2547-I2549 VanDerWaalsContact C-N 3.34Å; A2547-I2549 PolarHBondContact O-N 3.23Å; A2547-F2550 PolarHBondContact O-N 3.06Å; A2547-I2551 WeakPolarHBondContact O-CG1 3.38Å; A2547-I2551 PolarHBondContact O-N 3.32Å; A2547-I2551 VanDerWaalsContact O-N 3.13Å |
| 2548 | G | 82.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2485 S2545 P2546 F2550 I2551 L2552 | L2485-G2548 WeakPolarHBondContact CD2-O 3.25Å; S2545-G2548 WeakPolarHBondContact O-CA 3.24Å; S2545-G2548 PolarHBondContact O-N 3.14Å; S2545-G2548 PolarHBondContact OG-N 3.23Å; S2545-G2548 VanDerWaalsContact OG-N 3.16Å; P2546-G2548 VanDerWaalsContact C-N 3.32Å; P2546-G2548 PolarHBondContact O-N 3Å; G2548-F2550 VanDerWaalsContact C-N 3.32Å; G2548-F2550 PolarHBondContact O-N 3.39Å; G2548-I2551 PolarHBondContact O-N 3.09Å; G2548-L2552 WeakPolarHBondContact O-CB 3.45Å; G2548-L2552 PolarHBondContact O-N 3.1Å |
| 2549 | I | 85.2 | Confident | 77.7 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 176.7 | -63.3 | 158.6 | 0 | 0 | 0 | 110.7 | T2516 L2544 S2545 P2546 A2547 L2552 I2553 L2582 I2589 | T2516-I2549 HydrophobicContact CG2-CD1 3.39Å; T2516-I2549 VanDerWaalsContact CG2-CD1 3.43Å; T2516-I2549 HydrophobicContact CG2-CG1 4.23Å; L2544-I2549 HydrophobicContact CB-CD1 4.43Å; L2544-I2549 HydrophobicContact CB-CG1 4.16Å; L2544-I2549 HydrophobicContact CD2-CG1 3.96Å; L2544-I2549 HydrophobicContact CG-CG1 4.45Å; S2545-I2549 WeakPolarHBondContact O-CG1 3.17Å; S2545-I2549 PolarHBondContact O-N 3.02Å; S2545-I2549 VanDerWaalsContact O-N 3.07Å; P2546-I2549 WeakPolarHBondContact O-CB 3.34Å; P2546-I2549 PolarHBondContact O-N 3.12Å; P2546-I2549 VanDerWaalsContact O-N 3.09Å; A2547-I2549 VanDerWaalsContact C-N 3.34Å; A2547-I2549 PolarHBondContact O-N 3.23Å; I2549-L2552 WeakPolarHBondContact O-CB 3.35Å; I2549-L2552 PolarHBondContact O-N 3.17Å; I2549-L2552 VanDerWaalsContact O-N 3.14Å; I2549-I2553 PolarHBondContact O-N 2.98Å; I2549-L2582 HydrophobicContact CG2-CD1 4.43Å; I2549-I2589 HydrophobicContact CB-CD1 4.12Å; I2549-I2589 HydrophobicContact CD1-CD1 3.72Å; I2549-I2589 HydrophobicContact CD1-CG1 4.43Å; I2549-I2589 HydrophobicContact CG1-CD1 4.44Å; I2549-I2589 HydrophobicContact CG2-CD1 4.06Å |
| 2550 | F | 86.6 | Confident | 79.6 | Confident | 0.333333 Ų | 0.333333 | 14.8 Ų | 14.8 | 0% | 0.001 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 177 | -58.6 | -17.6 | 0 | 0 | 0 | 112.2 | L2345 P2546 A2547 G2548 L2552 I2553 K2554 T2586 I2589 V2721 Q2724 A2725 L2728 | L2345-F2550 HydrophobicContact CD1-CB 4.21Å; L2345-F2550 HydrophobicContact CD1-CD2 3.84Å; L2345-F2550 HydrophobicContact CD1-CG 4.48Å; L2345-F2550 HydrophobicContact CG-CD2 3.95Å; P2546-F2550 HydrophobicContact CB-CE2 4.36Å; P2546-F2550 HydrophobicContact CB-CZ 4.2Å; P2546-F2550 VanDerWaalsContact O-CD1 3.29Å; P2546-F2550 WeakPolarHBondContact O-CD1 3.36Å; P2546-F2550 VanDerWaalsContact O-CG 3.23Å; P2546-F2550 WeakPolarHBondContact O-CG 3.39Å; P2546-F2550 PolarHBondContact O-N 3.11Å; A2547-F2550 PolarHBondContact O-N 3.06Å; G2548-F2550 VanDerWaalsContact C-N 3.32Å; G2548-F2550 PolarHBondContact O-N 3.39Å; F2550-L2552 VanDerWaalsContact C-N 3.3Å; F2550-L2552 PolarHBondContact O-N 3.14Å; F2550-I2553 PolarHBondContact O-N 2.87Å; F2550-K2554 PolarHBondContact O-N 3.2Å; F2550-T2586 HydrophobicContact CE1-CG2 4.29Å; F2550-I2589 HydrophobicContact CD1-CD1 4.38Å; F2550-I2589 HydrophobicContact CE1-CD1 3.85Å; F2550-I2589 HydrophobicContact CE1-CG2 4.33Å; F2550-I2589 HydrophobicContact CZ-CD1 4.48Å; F2550-I2589 HydrophobicContact CZ-CG2 4.11Å; F2550-V2721 HydrophobicContact CE2-CG1 3.95Å; F2550-V2721 HydrophobicContact CZ-CG1 3.79Å; F2550-Q2724 HydrophobicContact CD2-CB 4.47Å; F2550-Q2724 HydrophobicContact CE2-CB 3.8Å; F2550-Q2724 HydrophobicContact CZ-CB 4.31Å; F2550-A2725 HydrophobicContact CE1-CB 3.84Å; F2550-A2725 HydrophobicContact CZ-CB 3.81Å; F2550-L2728 HydrophobicContact CB-CD2 3.72Å; F2550-L2728 HydrophobicContact CD1-CD2 3.44Å; F2550-L2728 VanDerWaalsContact CD1-CD2 3.44Å; F2550-L2728 HydrophobicContact CE1-CD2 4.32Å; F2550-L2728 HydrophobicContact CG-CD2 3.79Å |
| 2551 | I | 84.1 | Confident | 81 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 172.9 | -61.6 | 161.7 | 0 | 0 | 0 | 110.3 | F2338 L2361 T2482 L2485 H2486 Y2489 A2547 G2548 I2553 K2554 I2555 | F2338-I2551 HydrophobicContact CE2-CD1 4.48Å; L2361-I2551 HydrophobicContact CD1-CG1 4.14Å; L2361-I2551 HydrophobicContact CD2-CG1 4.1Å; T2482-I2551 HydrophobicContact CG2-CD1 3.96Å; L2485-I2551 HydrophobicContact CB-CB 4.39Å; L2485-I2551 HydrophobicContact CB-CD1 4.37Å; L2485-I2551 HydrophobicContact CB-CG2 4.09Å; L2485-I2551 HydrophobicContact CD2-CB 4.09Å; L2485-I2551 HydrophobicContact CD2-CG2 4.26Å; L2485-I2551 HydrophobicContact CG-CB 4.24Å; L2485-I2551 HydrophobicContact CG-CG2 3.87Å; H2486-I2551 HydrophobicContact CB-CD1 3.97Å; Y2489-I2551 HydrophobicContact CD1-CG2 4.39Å; Y2489-I2551 HydrophobicContact CG-CG2 4.19Å; A2547-I2551 WeakPolarHBondContact O-CG1 3.38Å; A2547-I2551 PolarHBondContact O-N 3.32Å; A2547-I2551 VanDerWaalsContact O-N 3.13Å; G2548-I2551 PolarHBondContact O-N 3.09Å; I2551-I2553 VanDerWaalsContact C-N 3.35Å; I2551-I2553 PolarHBondContact O-N 3.37Å; I2551-K2554 PolarHBondContact O-N 3.12Å; I2551-K2554 VanDerWaalsContact O-N 3.11Å; I2551-I2555 HydrophobicContact CG2-CD1 3.91Å; I2551-I2555 HydrophobicContact CG2-CG1 4.35Å; I2551-I2555 WeakPolarHBondContact O-CG1 3.37Å; I2551-I2555 PolarHBondContact O-N 3.3Å |
| 2552 | L | 86.9 | Confident | 81.8 | Confident | 3 Ų | 3 | 15.4 Ų | 15.4 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.6 | -37.4 | 178 | -170.2 | 59.8 | 0 | 0 | 0 | 112.7 | L2485 I2508 L2511 I2512 L2544 G2548 I2549 F2550 K2554 I2555 F2556 L2582 | L2485-L2552 HydrophobicContact CD2-CB 4.36Å; I2508-L2552 HydrophobicContact CG1-CD1 4.43Å; L2511-L2552 HydrophobicContact CB-CD1 4.16Å; L2511-L2552 HydrophobicContact CB-CD2 4.15Å; L2511-L2552 HydrophobicContact CD1-CD1 4.1Å; I2512-L2552 HydrophobicContact CB-CD2 4.5Å; I2512-L2552 HydrophobicContact CG1-CD2 3.65Å; I2512-L2552 HydrophobicContact CG1-CG 4.25Å; L2544-L2552 HydrophobicContact CD2-CD2 4.33Å; G2548-L2552 WeakPolarHBondContact O-CB 3.45Å; G2548-L2552 PolarHBondContact O-N 3.1Å; I2549-L2552 WeakPolarHBondContact O-CB 3.35Å; I2549-L2552 PolarHBondContact O-N 3.17Å; I2549-L2552 VanDerWaalsContact O-N 3.14Å; F2550-L2552 VanDerWaalsContact C-N 3.3Å; F2550-L2552 PolarHBondContact O-N 3.14Å; L2552-K2554 VanDerWaalsContact C-N 3.34Å; L2552-K2554 PolarHBondContact O-N 3.37Å; L2552-I2555 PolarHBondContact O-N 3.07Å; L2552-F2556 WeakPolarHBondContact O-CB 3.41Å; L2552-F2556 PolarHBondContact O-N 3.19Å; L2552-L2582 HydrophobicContact CB-CD1 4.36Å; L2552-L2582 HydrophobicContact CD2-CD1 4.04Å; L2552-L2582 HydrophobicContact CG-CD1 4.02Å |
| 2553 | I | 88.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 169.6 | -80.8 | 175.3 | 0 | 0 | 0 | 111.6 | I2549 F2550 I2551 I2555 F2556 S2557 L2582 T2586 L2728 N2732 F2736 | I2549-I2553 PolarHBondContact O-N 2.98Å; F2550-I2553 PolarHBondContact O-N 2.87Å; I2551-I2553 VanDerWaalsContact C-N 3.35Å; I2551-I2553 PolarHBondContact O-N 3.37Å; I2553-I2555 VanDerWaalsContact C-N 3.33Å; I2553-I2555 PolarHBondContact O-N 3.46Å; I2553-F2556 PolarHBondContact O-N 3.08Å; I2553-S2557 PolarHBondContact O-N 3.03Å; I2553-L2582 HydrophobicContact CB-CD2 4.41Å; I2553-L2582 HydrophobicContact CD1-CG 4.32Å; I2553-L2582 HydrophobicContact CG1-CD1 3.82Å; I2553-L2582 HydrophobicContact CG1-CD2 3.72Å; I2553-L2582 HydrophobicContact CG1-CG 3.53Å; I2553-L2582 VanDerWaalsContact CG1-CG 3.48Å; I2553-T2586 HydrophobicContact CD1-CG2 3.84Å; I2553-T2586 WeakPolarHBondContact CD1-OG1 3.4Å; I2553-L2728 HydrophobicContact CB-CD2 3.92Å; I2553-L2728 HydrophobicContact CB-CG 4.37Å; I2553-L2728 HydrophobicContact CD1-CD2 3.44Å; I2553-L2728 VanDerWaalsContact CD1-CD2 3.44Å; I2553-L2728 HydrophobicContact CD1-CG 4.04Å; I2553-L2728 HydrophobicContact CG1-CD2 4.2Å; I2553-L2728 HydrophobicContact CG2-CD1 3.88Å; I2553-L2728 HydrophobicContact CG2-CD2 4Å; I2553-L2728 HydrophobicContact CG2-CG 3.88Å; I2553-N2732 HydrophobicContact CG2-CB 4.17Å; I2553-F2736 HydrophobicContact CG2-CE2 4.02Å; I2553-F2736 HydrophobicContact CG2-CZ 4.08Å |
| 2554 | K | 86.2 | Confident | 81.8 | Confident | 14.6667 Ų | 14.6667 | 22.5 Ų | 22.5 | 6% | 0.064 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.6 | -33.8 | -179.6 | -67.7 | -69.4 | -176 | -176.3 | 0 | 112 | L2361 Y2489 F2550 I2551 L2552 S2557 K2558 L2728 E2731 | L2361-K2554 HydrophobicContact CB-CG 4.15Å; L2361-K2554 HydrophobicContact CD1-CG 4.24Å; Y2489-K2554 HydrophobicContact CD2-CB 4.29Å; Y2489-K2554 HydrophobicContact CE1-CB 3.98Å; Y2489-K2554 HydrophobicContact CE2-CB 3.78Å; Y2489-K2554 WeakPolarHBondContact CE2-O 3.44Å; F2550-K2554 PolarHBondContact O-N 3.2Å; I2551-K2554 PolarHBondContact O-N 3.12Å; I2551-K2554 VanDerWaalsContact O-N 3.11Å; L2552-K2554 VanDerWaalsContact C-N 3.34Å; L2552-K2554 PolarHBondContact O-N 3.37Å; K2554-S2557 PolarHBondContact O-N 3.44Å; K2554-K2558 PolarHBondContact O-N 3.05Å; K2554-K2558 VanDerWaalsContact O-N 3.11Å; K2554-L2728 HydrophobicContact CD-CD1 4.33Å; K2554-L2728 HydrophobicContact CG-CD1 4.38Å; K2554-E2731 IonicContact NZ-OE2 2.98Å; K2554-E2731 PolarHBondContact NZ-OE2 2.91Å |
| 2555 | I | 85.2 | Confident | 81.1 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 169.1 | -67.7 | 164.1 | 0 | 0 | 0 | 110.6 | L2485 F2488 Y2489 L2492 L2504 I2508 I2551 L2552 I2553 S2557 K2558 F2559 | L2485-I2555 HydrophobicContact CD1-CD1 3.54Å; L2485-I2555 HydrophobicContact CD2-CD1 4.33Å; L2485-I2555 HydrophobicContact CG-CD1 3.83Å; F2488-I2555 HydrophobicContact CD1-CD1 3.9Å; F2488-I2555 HydrophobicContact CD1-CG1 4.49Å; F2488-I2555 HydrophobicContact CE1-CD1 4.37Å; F2488-I2555 HydrophobicContact CE1-CG2 4.27Å; Y2489-I2555 HydrophobicContact CD2-CB 4.45Å; Y2489-I2555 HydrophobicContact CD2-CG1 3.61Å; Y2489-I2555 HydrophobicContact CE2-CG1 4.45Å; Y2489-I2555 HydrophobicContact CG-CG1 4.06Å; L2492-I2555 HydrophobicContact CD1-CG2 4.3Å; L2492-I2555 HydrophobicContact CD2-CG2 4.16Å; L2504-I2555 HydrophobicContact CD1-CG2 3.86Å; I2508-I2555 HydrophobicContact CD1-CG2 4.12Å; I2508-I2555 HydrophobicContact CG1-CG2 4.21Å; I2551-I2555 HydrophobicContact CG2-CD1 3.91Å; I2551-I2555 HydrophobicContact CG2-CG1 4.35Å; I2551-I2555 WeakPolarHBondContact O-CG1 3.37Å; I2551-I2555 PolarHBondContact O-N 3.3Å; L2552-I2555 PolarHBondContact O-N 3.07Å; I2553-I2555 VanDerWaalsContact C-N 3.33Å; I2553-I2555 PolarHBondContact O-N 3.46Å; I2555-S2557 PolarHBondContact O-N 2.85Å; I2555-K2558 PolarHBondContact O-N 3Å; I2555-K2558 VanDerWaalsContact O-N 3.13Å; I2555-F2559 PolarHBondContact O-N 3.25Å |
| 2556 | F | 87.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 178.1 | -175.6 | -108.1 | 0 | 0 | 0 | 112.5 | I2508 L2552 I2553 K2558 F2559 L2560 L2575 C2579 L2582 F2736 V2740 | I2508-F2556 HydrophobicContact CD1-CD2 4.21Å; I2508-F2556 HydrophobicContact CG2-CD2 4.07Å; L2552-F2556 WeakPolarHBondContact O-CB 3.41Å; L2552-F2556 PolarHBondContact O-N 3.19Å; I2553-F2556 PolarHBondContact O-N 3.08Å; F2556-K2558 VanDerWaalsContact C-N 3.3Å; F2556-K2558 PolarHBondContact O-N 3.09Å; F2556-F2559 HydrophobicContact CD2-CD1 4.3Å; F2556-F2559 HydrophobicContact CE2-CD1 4.25Å; F2556-F2559 WeakPolarHBondContact O-CB 3.44Å; F2556-F2559 PolarHBondContact O-N 2.87Å; F2556-L2560 HydrophobicContact CD1-CD1 3.98Å; F2556-L2560 HydrophobicContact CD1-CG 4.37Å; F2556-L2560 HydrophobicContact CE1-CD1 3.55Å; F2556-L2560 HydrophobicContact CE1-CD2 4.35Å; F2556-L2560 HydrophobicContact CE1-CG 4.04Å; F2556-L2560 HydrophobicContact CZ-CD1 4.06Å; F2556-L2560 HydrophobicContact CZ-CD2 4.11Å; F2556-L2560 HydrophobicContact CZ-CG 4.15Å; F2556-L2560 WeakPolarHBondContact O-CG 3.4Å; F2556-L2560 PolarHBondContact O-N 3.15Å; F2556-L2575 HydrophobicContact CE2-CD1 3.57Å; F2556-L2575 HydrophobicContact CZ-CD1 3.72Å; F2556-C2579 HydrophobicContact CE1-CB 4.07Å; F2556-C2579 HydrophobicContact CZ-CB 3.92Å; F2556-L2582 HydrophobicContact CB-CD2 3.6Å; F2556-L2582 HydrophobicContact CD1-CD2 3.8Å; F2556-L2582 HydrophobicContact CD2-CD2 4.33Å; F2556-L2582 HydrophobicContact CG-CD2 3.72Å; F2556-F2736 AromaticContact CD1-CD2 3.89Å; F2556-F2736 HydrophobicContact CD1-CD2 3.89Å; F2556-F2736 HydrophobicContact CD1-CE1 4.38Å; F2556-F2736 AromaticContact CD1-CE2 3.55Å; F2556-F2736 HydrophobicContact CD1-CE2 3.55Å; F2556-F2736 HydrophobicContact CD1-CG 4.44Å; F2556-F2736 AromaticContact CD1-CZ 3.8Å; F2556-F2736 HydrophobicContact CD1-CZ 3.8Å; F2556-F2736 AromaticContact CE1-CD2 3.97Å; F2556-F2736 HydrophobicContact CE1-CD2 3.97Å; F2556-F2736 HydrophobicContact CE1-CE2 4.12Å; F2556-F2736 HydrophobicContact CE1-CG 4.27Å; F2556-V2740 HydrophobicContact CZ-CG2 4.48Å |
| 2557 | S | 85.5 | Confident | 79.6 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 171.2 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | I2553 K2554 I2555 F2559 L2560 E2561 | I2553-S2557 PolarHBondContact O-N 3.03Å; K2554-S2557 PolarHBondContact O-N 3.44Å; I2555-S2557 PolarHBondContact O-N 2.85Å; S2557-F2559 VanDerWaalsContact C-N 3.32Å; S2557-F2559 PolarHBondContact O-N 2.99Å; S2557-L2560 PolarHBondContact O-N 3.28Å; S2557-E2561 WeakPolarHBondContact O-CG 3.27Å; S2557-E2561 PolarHBondContact O-N 3.13Å; S2557-E2561 VanDerWaalsContact O-N 3.09Å |
| 2558 | K | 81.7 | Confident | 79.4 | Confident | 41 Ų | 41 | 39.9 Ų | 39.9 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -32.3 | 178.9 | -169.5 | 66.5 | -154.1 | 163.5 | 0 | 112.9 | L2492 S2496 K2554 I2555 F2556 E2561 T2562 | L2492-K2558 HydrophobicContact CD2-CB 4.01Å; L2492-K2558 HydrophobicContact CD2-CG 3.74Å; L2492-K2558 HydrophobicContact CG-CG 4.23Å; S2496-K2558 WeakPolarHBondContact OG-CE 3.19Å; K2554-K2558 PolarHBondContact O-N 3.05Å; K2554-K2558 VanDerWaalsContact O-N 3.11Å; I2555-K2558 PolarHBondContact O-N 3Å; I2555-K2558 VanDerWaalsContact O-N 3.13Å; F2556-K2558 VanDerWaalsContact C-N 3.3Å; F2556-K2558 PolarHBondContact O-N 3.09Å; K2558-E2561 HydrophobicContact CD-CB 4.33Å; K2558-E2561 VanDerWaalsContact CD-OE2 3.27Å; K2558-E2561 WeakPolarHBondContact CD-OE2 3.32Å; K2558-E2561 WeakPolarHBondContact CE-OE2 3.32Å; K2558-E2561 IonicContact NZ-OE2 2.83Å; K2558-E2561 PolarHBondContact NZ-OE2 2.91Å; K2558-E2561 PolarHBondContact O-N 3.41Å; K2558-T2562 WeakPolarHBondContact O-CB 3.33Å; K2558-T2562 PolarHBondContact O-N 3.16Å; K2558-T2562 PolarHBondContact O-OG1 3.27Å |
| 2559 | F | 83.4 | Confident | 79.3 | Confident | 9.66667 Ų | 9.66667 | 48 Ų | 48 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 169.3 | 169.4 | -93.9 | 0 | 0 | 0 | 110.7 | S2501 L2504 L2505 I2508 I2555 F2556 S2557 E2561 T2562 S2563 L2575 | S2501-F2559 WeakPolarHBondContact O-CE2 3.4Å; S2501-F2559 VanDerWaalsContact OG-CE2 3.27Å; S2501-F2559 WeakPolarHBondContact OG-CE2 3.42Å; L2504-F2559 HydrophobicContact CB-CD2 4.18Å; L2504-F2559 HydrophobicContact CD2-CB 3.82Å; L2504-F2559 HydrophobicContact CD2-CD2 3.89Å; L2504-F2559 HydrophobicContact CD2-CG 4.36Å; L2504-F2559 HydrophobicContact CG-CB 4.28Å; L2504-F2559 HydrophobicContact CG-CD2 3.93Å; L2504-F2559 HydrophobicContact CG-CG 4.45Å; L2505-F2559 HydrophobicContact CB-CE2 3.92Å; L2505-F2559 HydrophobicContact CB-CZ 4.12Å; L2505-F2559 HydrophobicContact CD1-CE1 4.24Å; L2505-F2559 HydrophobicContact CD1-CE2 4.35Å; L2505-F2559 HydrophobicContact CD1-CZ 3.85Å; L2505-F2559 HydrophobicContact CD2-CZ 4.49Å; L2505-F2559 HydrophobicContact CG-CZ 4.34Å; I2508-F2559 HydrophobicContact CD1-CB 3.92Å; I2508-F2559 HydrophobicContact CD1-CD2 4.45Å; I2508-F2559 HydrophobicContact CD1-CG 4.13Å; I2555-F2559 PolarHBondContact O-N 3.25Å; F2556-F2559 HydrophobicContact CD2-CD1 4.3Å; F2556-F2559 HydrophobicContact CE2-CD1 4.25Å; F2556-F2559 WeakPolarHBondContact O-CB 3.44Å; F2556-F2559 PolarHBondContact O-N 2.87Å; S2557-F2559 VanDerWaalsContact C-N 3.32Å; S2557-F2559 PolarHBondContact O-N 2.99Å; F2559-E2561 VanDerWaalsContact C-N 3.28Å; F2559-E2561 PolarHBondContact O-N 2.91Å; F2559-T2562 CarbonylContact O-C 3.55Å; F2559-T2562 PolarHBondContact O-N 3.13Å; F2559-S2563 VanDerWaalsContact O-CB 3.3Å; F2559-S2563 WeakPolarHBondContact O-CB 3.41Å; F2559-S2563 PolarHBondContact O-N 3.15Å; F2559-S2563 PolarHBondContact O-OG 3.19Å; F2559-L2575 HydrophobicContact CD1-CD1 4.39Å; F2559-L2575 HydrophobicContact CE1-CD1 3.68Å; F2559-L2575 HydrophobicContact CE1-CD2 4.49Å |
| 2560 | L | 82 | Confident | 79.1 | Confident | 5.66667 Ų | 5.66667 | 56.1 Ų | 56.1 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -31.5 | 180 | -68.8 | 178 | 0 | 0 | 0 | 113.7 | F2556 S2557 T2562 S2563 F2565 L2575 F2736 L2739 V2740 | F2556-L2560 HydrophobicContact CD1-CD1 3.98Å; F2556-L2560 HydrophobicContact CD1-CG 4.37Å; F2556-L2560 HydrophobicContact CE1-CD1 3.55Å; F2556-L2560 HydrophobicContact CE1-CD2 4.35Å; F2556-L2560 HydrophobicContact CE1-CG 4.04Å; F2556-L2560 HydrophobicContact CZ-CD1 4.06Å; F2556-L2560 HydrophobicContact CZ-CD2 4.11Å; F2556-L2560 HydrophobicContact CZ-CG 4.15Å; F2556-L2560 WeakPolarHBondContact O-CG 3.4Å; F2556-L2560 PolarHBondContact O-N 3.15Å; S2557-L2560 PolarHBondContact O-N 3.28Å; L2560-T2562 VanDerWaalsContact C-N 3.33Å; L2560-S2563 PolarHBondContact O-OG 3.08Å; L2560-F2565 HydrophobicContact CD2-CE1 4.07Å; L2560-F2565 HydrophobicContact CD2-CZ 4.26Å; L2560-L2575 HydrophobicContact CD2-CD1 4.21Å; L2560-L2575 HydrophobicContact CD2-CD2 4.03Å; L2560-L2575 HydrophobicContact CD2-CG 4.49Å; L2560-F2736 HydrophobicContact CD1-CB 4.32Å; L2560-F2736 HydrophobicContact CD1-CD1 3.43Å; L2560-F2736 VanDerWaalsContact CD1-CD1 3.43Å; L2560-F2736 HydrophobicContact CD1-CE1 3.83Å; L2560-F2736 HydrophobicContact CD1-CG 3.91Å; L2560-L2739 HydrophobicContact CB-CD1 4.2Å; L2560-V2740 HydrophobicContact CD1-CG2 4.15Å; L2560-V2740 HydrophobicContact CD2-CG2 3.8Å |
| 2561 | E | 79 | Confident | 78.7 | Confident | 124 Ų | 124 | 60.6 Ų | 60.6 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -70.3 | -27.6 | 173.1 | -73.6 | 178.2 | -169.7 | 0 | 0 | 113.7 | S2557 K2558 F2559 | S2557-E2561 WeakPolarHBondContact O-CG 3.27Å; S2557-E2561 PolarHBondContact O-N 3.13Å; S2557-E2561 VanDerWaalsContact O-N 3.09Å; K2558-E2561 HydrophobicContact CD-CB 4.33Å; K2558-E2561 VanDerWaalsContact CD-OE2 3.27Å; K2558-E2561 WeakPolarHBondContact CD-OE2 3.32Å; K2558-E2561 WeakPolarHBondContact CE-OE2 3.32Å; K2558-E2561 IonicContact NZ-OE2 2.83Å; K2558-E2561 PolarHBondContact NZ-OE2 2.91Å; K2558-E2561 PolarHBondContact O-N 3.41Å; F2559-E2561 VanDerWaalsContact C-N 3.28Å; F2559-E2561 PolarHBondContact O-N 2.91Å |
| 2562 | T | 74.2 | Confident | 78.7 | Confident | 65.3333 Ų | 65.3333 | 61.6 Ų | 61.6 | 40% | 0.401 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -104.1 | -22.5 | -171.3 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | S2496 K2558 F2559 L2560 N2564 | S2496-T2562 PolarHBondContact OG-OG1 2.91Å; K2558-T2562 WeakPolarHBondContact O-CB 3.33Å; K2558-T2562 PolarHBondContact O-N 3.16Å; K2558-T2562 PolarHBondContact O-OG1 3.27Å; F2559-T2562 CarbonylContact O-C 3.55Å; F2559-T2562 PolarHBondContact O-N 3.13Å; L2560-T2562 VanDerWaalsContact C-N 3.33Å; T2562-N2564 PolarHBondContact O-N 3.46Å |
| 2563 | S | 71.5 | Confident | 78.6 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | trans | -72.9 | 123.4 | -178.6 | 60 | 0 | 0 | 0 | 0 | 111.5 | F2559 L2560 F2565 | F2559-S2563 VanDerWaalsContact O-CB 3.3Å; F2559-S2563 WeakPolarHBondContact O-CB 3.41Å; F2559-S2563 PolarHBondContact O-N 3.15Å; F2559-S2563 PolarHBondContact O-OG 3.19Å; L2560-S2563 PolarHBondContact O-OG 3.08Å; S2563-F2565 PolarHBondContact O-N 3.17Å; S2563-F2565 WeakPolarHBondContact OG-CE1 3.33Å | ||
| 2564 | N | 66.8 | Low | 78.4 | Confident | 160.667 Ų | 160.667 | 72.1 Ų | 72.1 | 86% | 0.859 | 35% | 0.349 | S | S | * | . | trans | -74.9 | 112.3 | 161.8 | -71.9 | -17.7 | 0 | 0 | 0 | 108 | T2562 S2566 | T2562-N2564 PolarHBondContact O-N 3.46Å; N2564-S2566 PolarHBondContact O-N 3.05Å; N2564-S2566 VanDerWaalsContact O-N 3.12Å | ||
| 2565 | F | 67.5 | Low | 78.4 | Confident | 99.6667 Ų | 99.6667 | 72.1 Ų | 72.1 | 44% | 0.437 | 35% | 0.35 | S | S | . | . | trans | -64.2 | 117.2 | 179.5 | -60.5 | -74.4 | 0 | 0 | 0 | 110.5 | L2560 S2563 L2575 L2739 | L2560-F2565 HydrophobicContact CD2-CE1 4.07Å; L2560-F2565 HydrophobicContact CD2-CZ 4.26Å; S2563-F2565 PolarHBondContact O-N 3.17Å; S2563-F2565 WeakPolarHBondContact OG-CE1 3.33Å; F2565-L2575 HydrophobicContact CD1-CD2 4.36Å; F2565-L2575 HydrophobicContact CE1-CD2 4.06Å; F2565-L2739 HydrophobicContact CE2-CD2 4.44Å; F2565-L2739 HydrophobicContact CZ-CB 4.07Å; F2565-L2739 HydrophobicContact CZ-CD2 4.45Å | ||
| 2566 | S | 62.4 | Low | 78.6 | Confident | 57.6667 Ų | 57.6667 | 72.7 Ų | 72.7 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | trans | -72.8 | 151.7 | 171.8 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | N2564 D2568 E2571 | N2564-S2566 PolarHBondContact O-N 3.05Å; N2564-S2566 VanDerWaalsContact O-N 3.12Å; S2566-D2568 VanDerWaalsContact C-N 3.26Å; S2566-D2568 PolarHBondContact O-N 3.08Å; S2566-D2568 PolarHBondContact OG-N 3.14Å; S2566-E2571 WeakPolarHBondContact CB-OE2 3.27Å; S2566-E2571 PolarHBondContact OG-OE2 2.87Å | ||
| 2567 | D | 65.2 | Low | 78.6 | Confident | 139.667 Ų | 139.667 | 77.2 Ų | 77.2 | 75% | 0.747 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -78.6 | -1.7 | 173.6 | -89.4 | -38.6 | 0 | 0 | 0 | 113.5 | K2569 K2742 | D2567-K2569 PolarHBondContact O-N 3.29Å; D2567-K2569 VanDerWaalsContact O-N 3.15Å; D2567-K2742 IonicContact OD1-NZ 2.85Å; D2567-K2742 PolarHBondContact OD1-NZ 3.45Å; D2567-K2742 VanDerWaalsContact OD1-NZ 3.14Å |
| 2568 | D | 76.6 | Confident | 78.7 | Confident | 75.6667 Ų | 75.6667 | 76.6 Ų | 76.6 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | trans | -66.7 | 115.4 | 176.5 | -166.3 | -12.4 | 0 | 0 | 0 | 111.6 | S2566 R2570 E2571 Q2572 | S2566-D2568 VanDerWaalsContact C-N 3.26Å; S2566-D2568 PolarHBondContact O-N 3.08Å; S2566-D2568 PolarHBondContact OG-N 3.14Å; D2568-R2570 PolarHBondContact O-N 3.14Å; D2568-R2570 VanDerWaalsContact OD1-CB 3.3Å; D2568-R2570 WeakPolarHBondContact OD1-CB 3.44Å; D2568-R2570 PolarHBondContact OD1-N 3.36Å; D2568-E2571 HydrophobicContact CB-CB 4.34Å; D2568-E2571 HydrophobicContact CB-CG 4.16Å; D2568-E2571 PolarHBondContact O-N 3.35Å; D2568-Q2572 PolarHBondContact O-N 3.12Å; D2568-Q2572 VanDerWaalsContact O-N 3.14Å | ||
| 2569 | K | 80.1 | Confident | 79.1 | Confident | 171.333 Ų | 171.333 | 74.7 Ų | 74.7 | 75% | 0.745 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.5 | -26.8 | 176.4 | -65.3 | -174.5 | 178.2 | -175.9 | 0 | 112.4 | D2567 K2573 | D2567-K2569 PolarHBondContact O-N 3.29Å; D2567-K2569 VanDerWaalsContact O-N 3.15Å; K2569-K2573 VanDerWaalsContact O-CB 3.31Å; K2569-K2573 WeakPolarHBondContact O-CB 3.44Å; K2569-K2573 PolarHBondContact O-N 3.19Å; K2569-K2573 VanDerWaalsContact O-N 3.12Å |
| 2570 | R | 80.4 | Confident | 79.4 | Confident | 173.333 Ų | 173.333 | 76.2 Ų | 76.2 | 65% | 0.654 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69.7 | -52.5 | 177.9 | -177.7 | -178.8 | 174.5 | 169.2 | 1.2 | 111.2 | D2568 Q2572 K2573 E2574 | D2568-R2570 PolarHBondContact O-N 3.14Å; D2568-R2570 VanDerWaalsContact OD1-CB 3.3Å; D2568-R2570 WeakPolarHBondContact OD1-CB 3.44Å; D2568-R2570 PolarHBondContact OD1-N 3.36Å; R2570-Q2572 VanDerWaalsContact C-N 3.28Å; R2570-Q2572 PolarHBondContact O-N 3.25Å; R2570-K2573 PolarHBondContact O-N 3.25Å; R2570-E2574 IonicContact CZ-OE1 3.19Å; R2570-E2574 IonicContact NE-OE1 3.12Å; R2570-E2574 PolarHBondContact NE-OE1 3.12Å; R2570-E2574 IonicContact NH2-OE1 2.99Å; R2570-E2574 PolarHBondContact NH2-OE1 3.33Å; R2570-E2574 WeakPolarHBondContact O-CG 3.31Å; R2570-E2574 PolarHBondContact O-N 3.11Å |
| 2571 | E | 78.8 | Confident | 79.7 | Confident | 95.3333 Ų | 95.3333 | 79.9 Ų | 79.9 | 45% | 0.445 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 179.3 | -64.4 | -178.1 | 157.4 | 0 | 0 | 110.9 | S2566 D2568 K2573 E2574 L2575 | S2566-E2571 WeakPolarHBondContact CB-OE2 3.27Å; S2566-E2571 PolarHBondContact OG-OE2 2.87Å; D2568-E2571 HydrophobicContact CB-CB 4.34Å; D2568-E2571 HydrophobicContact CB-CG 4.16Å; D2568-E2571 PolarHBondContact O-N 3.35Å; E2571-K2573 VanDerWaalsContact C-N 3.34Å; E2571-K2573 PolarHBondContact O-N 2.91Å; E2571-E2574 PolarHBondContact O-N 3.2Å; E2571-L2575 VanDerWaalsContact O-CB 3.29Å; E2571-L2575 WeakPolarHBondContact O-CB 3.29Å; E2571-L2575 PolarHBondContact O-N 3.25Å |
| 2572 | Q | 83.1 | Confident | 80.2 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 9% | 0.093 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.4 | -174.8 | 143.6 | 2 | 0 | 0 | 112.7 | D2568 R2570 E2574 L2575 Q2576 V2740 K2742 | D2568-Q2572 PolarHBondContact O-N 3.12Å; D2568-Q2572 VanDerWaalsContact O-N 3.14Å; R2570-Q2572 VanDerWaalsContact C-N 3.28Å; R2570-Q2572 PolarHBondContact O-N 3.25Å; Q2572-E2574 VanDerWaalsContact C-N 3.32Å; Q2572-E2574 PolarHBondContact O-N 3.33Å; Q2572-L2575 WeakPolarHBondContact O-CB 3.35Å; Q2572-L2575 PolarHBondContact O-N 3.25Å; Q2572-Q2576 WeakPolarHBondContact O-CG 3.28Å; Q2572-Q2576 PolarHBondContact O-N 3.42Å; Q2572-V2740 VanDerWaalsContact NE2-C 3.35Å; Q2572-V2740 PolarHBondContact NE2-O 3.3Å; Q2572-K2742 VanDerWaalsContact NE2-CG 3.32Å |
| 2573 | K | 85.2 | Confident | 81 | Confident | 151.333 Ų | 151.333 | 71 Ų | 71 | 66% | 0.658 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | 177.9 | -174.4 | -177.4 | 176.5 | -173.4 | 0 | 111.9 | K2569 R2570 E2571 L2575 Q2576 E2577 | K2569-K2573 VanDerWaalsContact O-CB 3.31Å; K2569-K2573 WeakPolarHBondContact O-CB 3.44Å; K2569-K2573 PolarHBondContact O-N 3.19Å; K2569-K2573 VanDerWaalsContact O-N 3.12Å; R2570-K2573 PolarHBondContact O-N 3.25Å; E2571-K2573 VanDerWaalsContact C-N 3.34Å; E2571-K2573 PolarHBondContact O-N 2.91Å; K2573-L2575 VanDerWaalsContact C-N 3.31Å; K2573-L2575 PolarHBondContact O-N 2.97Å; K2573-Q2576 PolarHBondContact O-N 3.12Å; K2573-E2577 PolarHBondContact O-N 3.29Å; K2573-E2577 VanDerWaalsContact O-N 3.08Å |
| 2574 | E | 84.8 | Confident | 81.9 | Confident | 73.6667 Ų | 73.6667 | 74.6 Ų | 74.6 | 34% | 0.344 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.4 | -69.8 | -174.9 | -159.2 | 0 | 0 | 110.6 | R2570 E2571 Q2572 Q2576 E2577 L2578 | R2570-E2574 IonicContact CZ-OE1 3.19Å; R2570-E2574 IonicContact NE-OE1 3.12Å; R2570-E2574 PolarHBondContact NE-OE1 3.12Å; R2570-E2574 IonicContact NH2-OE1 2.99Å; R2570-E2574 PolarHBondContact NH2-OE1 3.33Å; R2570-E2574 WeakPolarHBondContact O-CG 3.31Å; R2570-E2574 PolarHBondContact O-N 3.11Å; E2571-E2574 PolarHBondContact O-N 3.2Å; Q2572-E2574 VanDerWaalsContact C-N 3.32Å; Q2572-E2574 PolarHBondContact O-N 3.33Å; E2574-Q2576 PolarHBondContact O-N 2.99Å; E2574-E2577 PolarHBondContact O-N 3.2Å; E2574-L2578 WeakPolarHBondContact O-CG 3.44Å; E2574-L2578 PolarHBondContact O-N 3.28Å; E2574-L2578 VanDerWaalsContact O-N 3.08Å |
| 2575 | L | 86.5 | Confident | 82.9 | Confident | 14.6667 Ų | 14.6667 | 68.3 Ų | 68.3 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 175.5 | -175.1 | 60.9 | 0 | 0 | 0 | 112.9 | L2505 F2556 F2559 L2560 F2565 E2571 Q2572 K2573 E2577 L2578 C2579 V2740 | L2505-L2575 HydrophobicContact CD1-CD1 4.42Å; F2556-L2575 HydrophobicContact CE2-CD1 3.57Å; F2556-L2575 HydrophobicContact CZ-CD1 3.72Å; F2559-L2575 HydrophobicContact CD1-CD1 4.39Å; F2559-L2575 HydrophobicContact CE1-CD1 3.68Å; F2559-L2575 HydrophobicContact CE1-CD2 4.49Å; L2560-L2575 HydrophobicContact CD2-CD1 4.21Å; L2560-L2575 HydrophobicContact CD2-CD2 4.03Å; L2560-L2575 HydrophobicContact CD2-CG 4.49Å; F2565-L2575 HydrophobicContact CD1-CD2 4.36Å; F2565-L2575 HydrophobicContact CE1-CD2 4.06Å; E2571-L2575 VanDerWaalsContact O-CB 3.29Å; E2571-L2575 WeakPolarHBondContact O-CB 3.29Å; E2571-L2575 PolarHBondContact O-N 3.25Å; Q2572-L2575 WeakPolarHBondContact O-CB 3.35Å; Q2572-L2575 PolarHBondContact O-N 3.25Å; K2573-L2575 VanDerWaalsContact C-N 3.31Å; K2573-L2575 PolarHBondContact O-N 2.97Å; L2575-E2577 VanDerWaalsContact C-N 3.32Å; L2575-E2577 PolarHBondContact O-N 2.84Å; L2575-L2578 PolarHBondContact O-N 3.02Å; L2575-C2579 WeakPolarHBondContact O-CB 3.45Å; L2575-C2579 PolarHBondContact O-N 3.1Å; L2575-V2740 HydrophobicContact CD2-CG1 4.41Å; L2575-V2740 HydrophobicContact CD2-CG2 4.15Å; L2575-V2740 HydrophobicContact CG-CG1 4.03Å; L2575-V2740 HydrophobicContact CG-CG2 4.11Å |
| 2576 | Q | 87.7 | Confident | 83.9 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 173.5 | -77.3 | 170.8 | 11.8 | 0 | 0 | 111.8 | Q2572 K2573 E2574 L2578 C2579 H2580 V2740 Y2741 E2745 | Q2572-Q2576 WeakPolarHBondContact O-CG 3.28Å; Q2572-Q2576 PolarHBondContact O-N 3.42Å; K2573-Q2576 PolarHBondContact O-N 3.12Å; E2574-Q2576 PolarHBondContact O-N 2.99Å; Q2576-L2578 VanDerWaalsContact C-N 3.33Å; Q2576-L2578 PolarHBondContact O-N 3.19Å; Q2576-C2579 PolarHBondContact O-N 3.05Å; Q2576-H2580 WeakPolarHBondContact O-CB 3.42Å; Q2576-H2580 PolarHBondContact O-CD2 3.23Å; Q2576-H2580 PolarHBondContact O-N 3.1Å; Q2576-V2740 HydrophobicContact CB-CG1 4.16Å; Q2576-V2740 HydrophobicContact CG-CG1 3.49Å; Q2576-V2740 VanDerWaalsContact CG-CG1 3.46Å; Q2576-V2740 PolarHBondContact NE2-O 3.38Å; Q2576-Y2741 HydrophobicContact CG-CE2 4.38Å; Q2576-E2745 PolarHBondContact NE2-OE2 2.87Å |
| 2577 | E | 88.2 | Confident | 85.1 | Confident | 93.6667 Ų | 93.6667 | 60.8 Ų | 60.8 | 44% | 0.438 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 179.2 | -176.6 | 89.7 | -160.9 | 0 | 0 | 112.3 | K2573 E2574 L2575 H2580 R2581 | K2573-E2577 PolarHBondContact O-N 3.29Å; K2573-E2577 VanDerWaalsContact O-N 3.08Å; E2574-E2577 PolarHBondContact O-N 3.2Å; L2575-E2577 VanDerWaalsContact C-N 3.32Å; L2575-E2577 PolarHBondContact O-N 2.84Å; E2577-H2580 PolarHBondContact O-N 2.7Å; E2577-R2581 WeakPolarHBondContact O-CB 3.31Å; E2577-R2581 VanDerWaalsContact O-CG 3.28Å; E2577-R2581 WeakPolarHBondContact O-CG 3.47Å; E2577-R2581 PolarHBondContact O-N 3.15Å; E2577-R2581 VanDerWaalsContact O-N 3.09Å; E2577-R2581 IonicContact OE1-CZ 3.15Å; E2577-R2581 IonicContact OE1-NE 2.75Å; E2577-R2581 IonicContact OE1-NH2 2.97Å; E2577-R2581 PolarHBondContact OE1-NH2 3.16Å |
| 2578 | L | 87.7 | Confident | 86.2 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 175 | -65.9 | 179.8 | 0 | 0 | 0 | 112.2 | L2505 I2508 R2509 I2512 E2574 L2575 Q2576 H2580 R2581 L2582 | L2505-L2578 HydrophobicContact CD1-CD1 3.64Å; I2508-L2578 HydrophobicContact CG2-CD1 4.37Å; R2509-L2578 HydrophobicContact CB-CD1 4.05Å; R2509-L2578 HydrophobicContact CB-CD2 3.99Å; R2509-L2578 HydrophobicContact CG-CD2 4.08Å; I2512-L2578 HydrophobicContact CD1-CB 4.18Å; I2512-L2578 HydrophobicContact CD1-CD2 4.25Å; E2574-L2578 WeakPolarHBondContact O-CG 3.44Å; E2574-L2578 PolarHBondContact O-N 3.28Å; E2574-L2578 VanDerWaalsContact O-N 3.08Å; L2575-L2578 PolarHBondContact O-N 3.02Å; Q2576-L2578 VanDerWaalsContact C-N 3.33Å; Q2576-L2578 PolarHBondContact O-N 3.19Å; L2578-H2580 VanDerWaalsContact C-N 3.33Å; L2578-H2580 PolarHBondContact O-N 3.12Å; L2578-R2581 PolarHBondContact O-N 3.41Å; L2578-L2582 VanDerWaalsContact O-CB 3.27Å; L2578-L2582 WeakPolarHBondContact O-CB 3.33Å; L2578-L2582 PolarHBondContact O-N 3.03Å |
| 2579 | C | 89.3 | Confident | 86.5 | Confident | 0.333333 Ų | 0.333333 | 52.1 Ų | 52.1 | 0% | 0.002 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 176 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | F2556 L2575 Q2576 L2582 L2583 V2740 | F2556-C2579 HydrophobicContact CE1-CB 4.07Å; F2556-C2579 HydrophobicContact CZ-CB 3.92Å; L2575-C2579 WeakPolarHBondContact O-CB 3.45Å; L2575-C2579 PolarHBondContact O-N 3.1Å; Q2576-C2579 PolarHBondContact O-N 3.05Å; C2579-L2582 PolarHBondContact O-N 3.14Å; C2579-L2583 WeakPolarHBondContact O-CB 3.4Å; C2579-L2583 VanDerWaalsContact O-CG 3.32Å; C2579-L2583 WeakPolarHBondContact O-CG 3.13Å; C2579-L2583 PolarHBondContact O-N 2.98Å; C2579-L2583 VanDerWaalsContact O-N 3.1Å; C2579-V2740 HydrophobicContact CB-CG1 4.25Å; C2579-V2740 HydrophobicContact CB-CG2 4.37Å |
| 2580 | H | 90.2 | Very high | 86.8 | Confident | 41 Ų | 41 | 44 Ų | 44 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -52.8 | 177.5 | -97.9 | 169.4 | 0 | 0 | 0 | 112 | Q2576 E2577 L2578 L2582 L2583 E2584 Y2741 F2752 | Q2576-H2580 WeakPolarHBondContact O-CB 3.42Å; Q2576-H2580 PolarHBondContact O-CD2 3.23Å; Q2576-H2580 PolarHBondContact O-N 3.1Å; E2577-H2580 PolarHBondContact O-N 2.7Å; L2578-H2580 VanDerWaalsContact C-N 3.33Å; L2578-H2580 PolarHBondContact O-N 3.12Å; H2580-L2582 VanDerWaalsContact C-N 3.29Å; H2580-L2582 PolarHBondContact O-N 3.3Å; H2580-L2583 PolarHBondContact O-N 3.12Å; H2580-E2584 VanDerWaalsContact O-CB 3.26Å; H2580-E2584 WeakPolarHBondContact O-CB 3.15Å; H2580-E2584 WeakPolarHBondContact O-CG 3.44Å; H2580-E2584 PolarHBondContact O-N 3.3Å; H2580-Y2741 AromaticContact CE1-CZ 3.94Å; H2580-Y2741 PolarHBondContact CE1-OH 3.17Å; H2580-Y2741 AromaticContact NE2-CE2 3.54Å; H2580-Y2741 AromaticContact NE2-CZ 3.5Å; H2580-Y2741 PolarHBondContact NE2-OH 2.93Å; H2580-F2752 HydrophobicContact CB-CD2 4.14Å; H2580-F2752 HydrophobicContact CB-CE2 3.5Å; H2580-F2752 VanDerWaalsContact CB-CE2 3.49Å; H2580-F2752 HydrophobicContact CB-CZ 3.9Å; H2580-F2752 AromaticContact CD2-CD1 3.77Å; H2580-F2752 AromaticContact CD2-CD2 3.68Å; H2580-F2752 AromaticContact CD2-CE1 3.67Å; H2580-F2752 AromaticContact CD2-CE2 3.58Å; H2580-F2752 AromaticContact CD2-CG 3.77Å; H2580-F2752 AromaticContact CD2-CZ 3.58Å; H2580-F2752 AromaticContact CG-CD2 3.71Å; H2580-F2752 AromaticContact CG-CE2 3.52Å; H2580-F2752 AromaticContact CG-CZ 3.91Å; H2580-F2752 AromaticContact NE2-CD1 3.97Å; H2580-F2752 AromaticContact NE2-CG 3.85Å |
| 2581 | R | 89.3 | Confident | 87.1 | Confident | 84 Ų | 84 | 36.6 Ų | 36.6 | 32% | 0.317 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.1 | -38 | -178.6 | -139.1 | 171.4 | -93.1 | 172.3 | 6.2 | 112.2 | I2512 N2513 E2577 L2578 T2585 | I2512-R2581 HydrophobicContact CG2-CB 3.68Å; I2512-R2581 VanDerWaalsContact CG2-CD 3.5Å; I2512-R2581 HydrophobicContact CG2-CG 3.81Å; I2512-R2581 VanDerWaalsContact CG2-CG 3.47Å; N2513-R2581 PolarHBondContact OD1-NH1 3.14Å; E2577-R2581 WeakPolarHBondContact O-CB 3.31Å; E2577-R2581 VanDerWaalsContact O-CG 3.28Å; E2577-R2581 WeakPolarHBondContact O-CG 3.47Å; E2577-R2581 PolarHBondContact O-N 3.15Å; E2577-R2581 VanDerWaalsContact O-N 3.09Å; E2577-R2581 IonicContact OE1-CZ 3.15Å; E2577-R2581 IonicContact OE1-NE 2.75Å; E2577-R2581 IonicContact OE1-NH2 2.97Å; E2577-R2581 PolarHBondContact OE1-NH2 3.16Å; L2578-R2581 PolarHBondContact O-N 3.41Å; R2581-T2585 WeakPolarHBondContact O-CB 3.38Å; R2581-T2585 VanDerWaalsContact O-CG2 3.23Å; R2581-T2585 WeakPolarHBondContact O-CG2 3.46Å; R2581-T2585 PolarHBondContact O-N 2.97Å; R2581-T2585 PolarHBondContact O-OG1 2.99Å |
| 2582 | L | 89.6 | Confident | 87.2 | Confident | 1.33333 Ų | 1.33333 | 33.3 Ų | 33.3 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.3 | -41.5 | 179.1 | -171.1 | 62.1 | 0 | 0 | 0 | 112.7 | I2512 I2549 L2552 I2553 F2556 L2578 C2579 H2580 T2585 T2586 | I2512-L2582 HydrophobicContact CD1-CB 4.04Å; I2512-L2582 HydrophobicContact CD1-CD1 4.26Å; I2512-L2582 HydrophobicContact CD1-CD2 4.41Å; I2512-L2582 HydrophobicContact CD1-CG 4.46Å; I2512-L2582 HydrophobicContact CG1-CD1 4.2Å; I2549-L2582 HydrophobicContact CG2-CD1 4.43Å; L2552-L2582 HydrophobicContact CB-CD1 4.36Å; L2552-L2582 HydrophobicContact CD2-CD1 4.04Å; L2552-L2582 HydrophobicContact CG-CD1 4.02Å; I2553-L2582 HydrophobicContact CB-CD2 4.41Å; I2553-L2582 HydrophobicContact CD1-CG 4.32Å; I2553-L2582 HydrophobicContact CG1-CD1 3.82Å; I2553-L2582 HydrophobicContact CG1-CD2 3.72Å; I2553-L2582 HydrophobicContact CG1-CG 3.53Å; I2553-L2582 VanDerWaalsContact CG1-CG 3.48Å; F2556-L2582 HydrophobicContact CB-CD2 3.6Å; F2556-L2582 HydrophobicContact CD1-CD2 3.8Å; F2556-L2582 HydrophobicContact CD2-CD2 4.33Å; F2556-L2582 HydrophobicContact CG-CD2 3.72Å; L2578-L2582 VanDerWaalsContact O-CB 3.27Å; L2578-L2582 WeakPolarHBondContact O-CB 3.33Å; L2578-L2582 PolarHBondContact O-N 3.03Å; C2579-L2582 PolarHBondContact O-N 3.14Å; H2580-L2582 VanDerWaalsContact C-N 3.29Å; H2580-L2582 PolarHBondContact O-N 3.3Å; L2582-T2585 WeakPolarHBondContact CA-OG1 3.41Å; L2582-T2585 PolarHBondContact O-OG1 3.09Å; L2582-T2586 WeakPolarHBondContact O-CB 3.47Å; L2582-T2586 PolarHBondContact O-N 3.25Å; L2582-T2586 PolarHBondContact O-OG1 3.15Å |
| 2583 | L | 90.9 | Very high | 87 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.6 | -38.4 | 176.4 | -69.7 | 172.4 | 0 | 0 | 0 | 111.8 | C2579 H2580 T2586 A2587 L2729 M2733 F2736 L2737 F2752 I2756 | C2579-L2583 WeakPolarHBondContact O-CB 3.4Å; C2579-L2583 VanDerWaalsContact O-CG 3.32Å; C2579-L2583 WeakPolarHBondContact O-CG 3.13Å; C2579-L2583 PolarHBondContact O-N 2.98Å; C2579-L2583 VanDerWaalsContact O-N 3.1Å; H2580-L2583 PolarHBondContact O-N 3.12Å; L2583-T2586 PolarHBondContact O-N 3.07Å; L2583-A2587 VanDerWaalsContact O-CB 3.28Å; L2583-A2587 WeakPolarHBondContact O-CB 3.43Å; L2583-A2587 PolarHBondContact O-N 3.21Å; L2583-L2729 HydrophobicContact CD2-CD2 3.67Å; L2583-M2733 HydrophobicContact CD1-CG 3.94Å; L2583-M2733 HydrophobicContact CD2-CB 3.99Å; L2583-M2733 HydrophobicContact CD2-CG 3.99Å; L2583-F2736 HydrophobicContact CD2-CD2 4.21Å; L2583-L2737 HydrophobicContact CD1-CD2 4.39Å; L2583-L2737 HydrophobicContact CD1-CG 4.49Å; L2583-F2752 HydrophobicContact CB-CE1 4.3Å; L2583-F2752 HydrophobicContact CB-CZ 3.94Å; L2583-F2752 HydrophobicContact CD1-CE1 3.88Å; L2583-F2752 HydrophobicContact CD1-CZ 4.25Å; L2583-I2756 HydrophobicContact CB-CD1 3.77Å |
| 2584 | E | 89.8 | Confident | 86.8 | Confident | 87.3333 Ų | 87.3333 | 26.5 Ų | 26.5 | 41% | 0.408 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 175.7 | -106 | 178.1 | -179.8 | 0 | 0 | 112.1 | H2580 T2586 A2587 A2588 F2752 | H2580-E2584 VanDerWaalsContact O-CB 3.26Å; H2580-E2584 WeakPolarHBondContact O-CB 3.15Å; H2580-E2584 WeakPolarHBondContact O-CG 3.44Å; H2580-E2584 PolarHBondContact O-N 3.3Å; E2584-T2586 VanDerWaalsContact C-N 3.31Å; E2584-T2586 PolarHBondContact O-N 3.05Å; E2584-A2587 CarbonylContact O-C 3.56Å; E2584-A2587 PolarHBondContact O-N 3.11Å; E2584-A2587 VanDerWaalsContact O-N 3.15Å; E2584-A2588 WeakPolarHBondContact O-CB 3.41Å; E2584-A2588 PolarHBondContact O-N 3.22Å; E2584-F2752 HydrophobicContact CG-CE2 3.69Å; E2584-F2752 HydrophobicContact CG-CZ 4.17Å |
| 2585 | T | 87.5 | Confident | 86.3 | Confident | 27.6667 Ų | 27.6667 | 27.5 Ų | 27.5 | 17% | 0.17 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -38.3 | 174.9 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | T2516 R2581 L2582 A2588 I2589 | T2516-T2585 HydrophobicContact CG2-CG2 3.92Å; R2581-T2585 WeakPolarHBondContact O-CB 3.38Å; R2581-T2585 VanDerWaalsContact O-CG2 3.23Å; R2581-T2585 WeakPolarHBondContact O-CG2 3.46Å; R2581-T2585 PolarHBondContact O-N 2.97Å; R2581-T2585 PolarHBondContact O-OG1 2.99Å; L2582-T2585 WeakPolarHBondContact CA-OG1 3.41Å; L2582-T2585 PolarHBondContact O-OG1 3.09Å; T2585-A2588 WeakPolarHBondContact O-CB 3.23Å; T2585-A2588 PolarHBondContact O-N 3.11Å; T2585-I2589 WeakPolarHBondContact O-CG1 3.21Å; T2585-I2589 PolarHBondContact O-N 3.11Å |
| 2586 | T | 88.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71 | -37.6 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 112 | F2550 I2553 L2582 L2583 E2584 A2588 I2589 A2590 A2725 L2728 L2729 | F2550-T2586 HydrophobicContact CE1-CG2 4.29Å; I2553-T2586 HydrophobicContact CD1-CG2 3.84Å; I2553-T2586 WeakPolarHBondContact CD1-OG1 3.4Å; L2582-T2586 WeakPolarHBondContact O-CB 3.47Å; L2582-T2586 PolarHBondContact O-N 3.25Å; L2582-T2586 PolarHBondContact O-OG1 3.15Å; L2583-T2586 PolarHBondContact O-N 3.07Å; E2584-T2586 VanDerWaalsContact C-N 3.31Å; E2584-T2586 PolarHBondContact O-N 3.05Å; T2586-A2588 VanDerWaalsContact C-N 3.28Å; T2586-A2588 PolarHBondContact O-N 3.2Å; T2586-I2589 WeakPolarHBondContact O-CB 3.41Å; T2586-I2589 PolarHBondContact O-N 3.22Å; T2586-A2590 PolarHBondContact O-N 3.13Å; T2586-A2725 HydrophobicContact CG2-CB 4.11Å; T2586-L2728 HydrophobicContact CG2-CD2 4.38Å; T2586-L2729 HydrophobicContact CG2-CD1 4.3Å; T2586-L2729 HydrophobicContact CG2-CD2 3.95Å; T2586-L2729 HydrophobicContact CG2-CG 3.79Å |
| 2587 | A | 88.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -30.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2583 E2584 A2590 A2591 L2729 I2756 | L2583-A2587 VanDerWaalsContact O-CB 3.28Å; L2583-A2587 WeakPolarHBondContact O-CB 3.43Å; L2583-A2587 PolarHBondContact O-N 3.21Å; E2584-A2587 CarbonylContact O-C 3.56Å; E2584-A2587 PolarHBondContact O-N 3.11Å; E2584-A2587 VanDerWaalsContact O-N 3.15Å; A2587-A2590 CarbonylContact O-C 3.48Å; A2587-A2590 WeakPolarHBondContact O-CB 3.3Å; A2587-A2590 PolarHBondContact O-N 3.34Å; A2587-A2591 WeakPolarHBondContact O-CB 3.3Å; A2587-A2591 PolarHBondContact O-N 3.05Å; A2587-L2729 HydrophobicContact CB-CD1 4.33Å; A2587-I2756 HydrophobicContact CB-CB 4.36Å; A2587-I2756 HydrophobicContact CB-CG1 4.14Å; A2587-I2756 HydrophobicContact CB-CG2 3.89Å |
| 2588 | A | 87.1 | Confident | 83.4 | Confident | 31.3333 Ų | 31.3333 | 30.2 Ų | 30.2 | 26% | 0.259 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -71.5 | -36 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I2518 E2584 T2585 T2586 A2591 S2592 | I2518-A2588 HydrophobicContact CD1-CB 4.01Å; I2518-A2588 HydrophobicContact CG1-CB 4.48Å; I2518-A2588 WeakPolarHBondContact CG2-O 3.21Å; E2584-A2588 WeakPolarHBondContact O-CB 3.41Å; E2584-A2588 PolarHBondContact O-N 3.22Å; T2585-A2588 WeakPolarHBondContact O-CB 3.23Å; T2585-A2588 PolarHBondContact O-N 3.11Å; T2586-A2588 VanDerWaalsContact C-N 3.28Å; T2586-A2588 PolarHBondContact O-N 3.2Å; A2588-A2591 PolarHBondContact O-N 3.27Å; A2588-S2592 PolarHBondContact O-N 3Å |
| 2589 | I | 84.4 | Confident | 82.4 | Confident | 1.33333 Ų | 1.33333 | 39.9 Ų | 39.9 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 168.5 | -62.2 | 163 | 0 | 0 | 0 | 109.7 | P2546 I2549 F2550 T2585 T2586 A2591 S2592 V2721 T2722 A2725 | P2546-I2589 HydrophobicContact CB-CD1 4.02Å; P2546-I2589 HydrophobicContact CB-CG1 4.43Å; P2546-I2589 HydrophobicContact CB-CG2 4.22Å; P2546-I2589 HydrophobicContact CG-CD1 4.45Å; I2549-I2589 HydrophobicContact CB-CD1 4.12Å; I2549-I2589 HydrophobicContact CD1-CD1 3.72Å; I2549-I2589 HydrophobicContact CD1-CG1 4.43Å; I2549-I2589 HydrophobicContact CG1-CD1 4.44Å; I2549-I2589 HydrophobicContact CG2-CD1 4.06Å; F2550-I2589 HydrophobicContact CD1-CD1 4.38Å; F2550-I2589 HydrophobicContact CE1-CD1 3.85Å; F2550-I2589 HydrophobicContact CE1-CG2 4.33Å; F2550-I2589 HydrophobicContact CZ-CD1 4.48Å; F2550-I2589 HydrophobicContact CZ-CG2 4.11Å; T2585-I2589 WeakPolarHBondContact O-CG1 3.21Å; T2585-I2589 PolarHBondContact O-N 3.11Å; T2586-I2589 WeakPolarHBondContact O-CB 3.41Å; T2586-I2589 PolarHBondContact O-N 3.22Å; I2589-A2591 VanDerWaalsContact C-N 3.28Å; I2589-A2591 PolarHBondContact O-N 3.17Å; I2589-S2592 WeakPolarHBondContact O-CB 3.43Å; I2589-S2592 PolarHBondContact O-N 2.97Å; I2589-S2592 PolarHBondContact O-OG 3.19Å; I2589-V2721 HydrophobicContact CG2-CG1 3.72Å; I2589-T2722 WeakPolarHBondContact O-CG2 3.31Å; I2589-A2725 HydrophobicContact CB-CB 4.2Å; I2589-A2725 HydrophobicContact CG2-CB 3.91Å |
| 2590 | A | 85.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | T2586 A2587 S2592 A2725 I2726 I2760 Y2763 | T2586-A2590 PolarHBondContact O-N 3.13Å; A2587-A2590 CarbonylContact O-C 3.48Å; A2587-A2590 WeakPolarHBondContact O-CB 3.3Å; A2587-A2590 PolarHBondContact O-N 3.34Å; A2590-S2592 PolarHBondContact O-N 3.22Å; A2590-S2592 VanDerWaalsContact O-N 3.14Å; A2590-A2725 HydrophobicContact CB-CB 4.1Å; A2590-I2726 HydrophobicContact CB-CD1 4.38Å; A2590-I2726 HydrophobicContact CB-CG1 3.64Å; A2590-I2760 HydrophobicContact CB-CD1 4.44Å; A2590-Y2763 PolarHBondContact O-OH 2.92Å |
| 2591 | A | 85.7 | Confident | 79.9 | Confident | 18.3333 Ų | 18.3333 | 51.6 Ų | 51.6 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -70.9 | -9.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A2587 A2588 I2589 A2593 L2594 N2759 | A2587-A2591 WeakPolarHBondContact O-CB 3.3Å; A2587-A2591 PolarHBondContact O-N 3.05Å; A2588-A2591 PolarHBondContact O-N 3.27Å; I2589-A2591 VanDerWaalsContact C-N 3.28Å; I2589-A2591 PolarHBondContact O-N 3.17Å; A2591-A2593 VanDerWaalsContact C-N 3.3Å; A2591-A2593 PolarHBondContact O-N 3.22Å; A2591-L2594 HydrophobicContact CB-CD1 4.37Å; A2591-L2594 WeakPolarHBondContact O-CA 3.37Å; A2591-L2594 VanDerWaalsContact O-CB 3.26Å; A2591-L2594 WeakPolarHBondContact O-CB 3.36Å; A2591-L2594 PolarHBondContact O-N 3.12Å; A2591-N2759 HydrophobicContact CB-CB 3.94Å |
| 2592 | S | 81.5 | Confident | 78.4 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -68.4 | -20.7 | -174.1 | 71.2 | 0 | 0 | 0 | 0 | 114.4 | I2518 A2588 I2589 A2590 L2594 R2607 T2722 | I2518-S2592 VanDerWaalsContact CG2-CB 3.48Å; A2588-S2592 PolarHBondContact O-N 3Å; I2589-S2592 WeakPolarHBondContact O-CB 3.43Å; I2589-S2592 PolarHBondContact O-N 2.97Å; I2589-S2592 PolarHBondContact O-OG 3.19Å; A2590-S2592 PolarHBondContact O-N 3.22Å; A2590-S2592 VanDerWaalsContact O-N 3.14Å; S2592-L2594 VanDerWaalsContact C-N 3.3Å; S2592-R2607 PolarHBondContact O-NH1 2.97Å; S2592-R2607 VanDerWaalsContact O-NH1 3.12Å; S2592-R2607 PolarHBondContact O-NH2 3.1Å; S2592-T2722 VanDerWaalsContact OG-CG2 3.25Å; S2592-T2722 WeakPolarHBondContact OG-CG2 3.36Å |
| 2593 | A | 79.8 | Confident | 77.3 | Confident | 22.3333 Ų | 22.3333 | 61.2 Ų | 61.2 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -89.3 | 5.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A2591 R2607 T2722 Y2763 | A2591-A2593 VanDerWaalsContact C-N 3.3Å; A2591-A2593 PolarHBondContact O-N 3.22Å; A2593-R2607 WeakPolarHBondContact O-CB 3.18Å; A2593-R2607 WeakPolarHBondContact O-CG 3.37Å; A2593-R2607 PolarHBondContact O-N 3.41Å; A2593-R2607 VanDerWaalsContact O-N 3.08Å; A2593-T2722 HydrophobicContact CB-CG2 3.65Å; A2593-Y2763 WeakPolarHBondContact CB-OH 3.37Å |
| 2594 | L | 81.1 | Confident | 76.3 | Confident | 5.66667 Ų | 5.66667 | 63.6 Ų | 63.6 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 157.2 | 171.2 | -52.8 | 177.7 | 0 | 0 | 0 | 111 | A2591 S2592 L2604 Q2605 V2606 R2607 N2759 P2762 Y2763 | A2591-L2594 HydrophobicContact CB-CD1 4.37Å; A2591-L2594 WeakPolarHBondContact O-CA 3.37Å; A2591-L2594 VanDerWaalsContact O-CB 3.26Å; A2591-L2594 WeakPolarHBondContact O-CB 3.36Å; A2591-L2594 PolarHBondContact O-N 3.12Å; S2592-L2594 VanDerWaalsContact C-N 3.3Å; L2594-L2604 HydrophobicContact CB-CB 4.02Å; L2594-L2604 HydrophobicContact CB-CD1 4.32Å; L2594-L2604 HydrophobicContact CB-CD2 4.39Å; L2594-L2604 HydrophobicContact CB-CG 4.48Å; L2594-L2604 HydrophobicContact CD1-CB 3.92Å; L2594-L2604 HydrophobicContact CD1-CD1 3.78Å; L2594-L2604 HydrophobicContact CD1-CG 4.46Å; L2594-Q2605 CarbonylContact C-O 3.5Å; L2594-Q2605 WeakPolarHBondContact CA-O 3.33Å; L2594-V2606 HydrophobicContact CD2-CB 4.45Å; L2594-V2606 HydrophobicContact CD2-CG2 3.99Å; L2594-R2607 PolarHBondContact O-NE 3.36Å; L2594-R2607 PolarHBondContact O-NH2 3.14Å; L2594-N2759 VanDerWaalsContact CD1-O 3.23Å; L2594-N2759 WeakPolarHBondContact CD1-O 3.23Å; L2594-P2762 HydrophobicContact CD1-CB 4.11Å; L2594-P2762 HydrophobicContact CD1-CG 4.04Å; L2594-P2762 HydrophobicContact CD2-CB 3.87Å; L2594-Y2763 HydrophobicContact CD1-CE2 4.02Å; L2594-Y2763 HydrophobicContact CD2-CD1 4.06Å; L2594-Y2763 HydrophobicContact CD2-CD2 4.4Å; L2594-Y2763 HydrophobicContact CD2-CE1 3.51Å; L2594-Y2763 VanDerWaalsContact CD2-CE1 3.45Å; L2594-Y2763 HydrophobicContact CD2-CE2 3.87Å; L2594-Y2763 HydrophobicContact CD2-CG 4.45Å; L2594-Y2763 VanDerWaalsContact CD2-CZ 3.41Å; L2594-Y2763 HydrophobicContact CG-CE1 4.28Å; L2594-Y2763 HydrophobicContact CG-CE2 4Å; L2594-Y2763 WeakPolarHBondContact CG-OH 3.06Å |
| 2595 | H | 73.4 | Confident | 75.5 | Confident | 96.3333 Ų | 96.3333 | 63.8 Ų | 63.8 | 45% | 0.446 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151.3 | 172.5 | 152.3 | -88.2 | 0 | 0 | 0 | 110.1 | P2597 Q2605 R2607 | H2595-P2597 WeakPolarHBondContact O-CD 3.47Å; H2595-Q2605 PolarHBondContact N-O 2.92Å; H2595-Q2605 PolarHBondContact O-N 3.18Å; H2595-R2607 HydrophobicContact CB-CG 3.75Å |
| 2596 | Q | 70.8 | Confident | 74.9 | Confident | 90.6667 Ų | 90.6667 | 63.6 Ų | 63.6 | 42% | 0.424 | 31% | 0.31 | S | S | . | . | trans | -84.7 | 114.1 | 169.7 | -138.1 | -175.8 | -10.8 | 0 | 0 | 108.1 | S2598 W2599 R2601 L2604 | Q2596-S2598 WeakPolarHBondContact CG-O 3.44Å; Q2596-S2598 PolarHBondContact NE2-O 3.28Å; Q2596-S2598 VanDerWaalsContact NE2-O 3.12Å; Q2596-S2598 PolarHBondContact O-N 3.17Å; Q2596-W2599 PolarHBondContact NE2-O 3.21Å; Q2596-R2601 VanDerWaalsContact CD-O 3.26Å; Q2596-R2601 WeakPolarHBondContact CG-O 3.32Å; Q2596-R2601 PolarHBondContact NE2-O 3.33Å; Q2596-L2604 HydrophobicContact CB-CD2 4.49Å | ||
| 2597 | P | 63.7 | Low | 73.7 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -67 | -19.4 | -171.8 | 29 | -36.8 | 0 | 0 | 0 | 113.4 | H2595 R2601 T2603 Q2605 | H2595-P2597 WeakPolarHBondContact O-CD 3.47Å; P2597-R2601 HydrophobicContact CG-CB 4.4Å; P2597-T2603 WeakPolarHBondContact CD-O 3.43Å; P2597-Q2605 HydrophobicContact CB-CG 4.47Å; P2597-Q2605 HydrophobicContact CG-CG 3.99Å |
| 2598 | S | 66.4 | Low | 72.3 | Confident | 39.3333 Ų | 39.3333 | 75.4 Ų | 75.4 | 28% | 0.275 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -158.2 | 150.9 | 173.1 | 97.8 | 0 | 0 | 0 | 0 | 110.3 | Q2596 F2600 R2601 | Q2596-S2598 WeakPolarHBondContact CG-O 3.44Å; Q2596-S2598 PolarHBondContact NE2-O 3.28Å; Q2596-S2598 VanDerWaalsContact NE2-O 3.12Å; Q2596-S2598 PolarHBondContact O-N 3.17Å; S2598-F2600 VanDerWaalsContact CB-CE1 3.47Å; S2598-F2600 PolarHBondContact O-N 3.12Å; S2598-F2600 VanDerWaalsContact O-N 3.16Å; S2598-F2600 WeakPolarHBondContact OG-CD1 3.38Å; S2598-F2600 VanDerWaalsContact OG-CE1 3.26Å; S2598-F2600 WeakPolarHBondContact OG-CE1 3.27Å; S2598-F2600 WeakPolarHBondContact OG-CE2 3.45Å; S2598-F2600 WeakPolarHBondContact OG-CZ 3.18Å; S2598-R2601 PolarHBondContact O-N 3.22Å; S2598-R2601 VanDerWaalsContact O-N 3.1Å; S2598-R2601 PolarHBondContact OG-N 2.79Å |
| 2599 | W | 68.2 | Low | 70.5 | Confident | 212.667 Ų | 212.667 | 80.7 Ų | 80.7 | 81% | 0.806 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23 | 179.7 | 66.7 | -90.1 | 0 | 0 | 0 | 114.1 | Q2596 | Q2596-W2599 PolarHBondContact NE2-O 3.21Š|
| 2600 | F | 64.5 | Low | 68.1 | Low | 145.333 Ų | 145.333 | 86.4 Ų | 86.4 | 64% | 0.637 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -19.9 | 175.9 | -44.6 | -77.6 | 0 | 0 | 0 | 114.4 | S2598 | S2598-F2600 VanDerWaalsContact CB-CE1 3.47Å; S2598-F2600 PolarHBondContact O-N 3.12Å; S2598-F2600 VanDerWaalsContact O-N 3.16Å; S2598-F2600 WeakPolarHBondContact OG-CD1 3.38Å; S2598-F2600 VanDerWaalsContact OG-CE1 3.26Å; S2598-F2600 WeakPolarHBondContact OG-CE1 3.27Å; S2598-F2600 WeakPolarHBondContact OG-CE2 3.45Å; S2598-F2600 WeakPolarHBondContact OG-CZ 3.18Å |
| 2601 | R | 61.8 | Low | 65.5 | Low | 142.5 Ų | 142.5 | 89.9 Ų | 89.9 | 54% | 0.538 | 45% | 0.449 | S | S | . | . | trans | -96.6 | 114.4 | -178.6 | -76 | -172.2 | 178.4 | -170.7 | 1.2 | 110.6 | Q2596 P2597 S2598 T2603 | Q2596-R2601 VanDerWaalsContact CD-O 3.26Å; Q2596-R2601 WeakPolarHBondContact CG-O 3.32Å; Q2596-R2601 PolarHBondContact NE2-O 3.33Å; P2597-R2601 HydrophobicContact CG-CB 4.4Å; S2598-R2601 PolarHBondContact O-N 3.22Å; S2598-R2601 VanDerWaalsContact O-N 3.1Å; S2598-R2601 PolarHBondContact OG-N 2.79Å; R2601-T2603 PolarHBondContact O-N 3.24Å | ||
| 2602 | K | 58.2 | Low | 62.7 | Low | 201.5 Ų | 201.5 | 95.9 Ų | 95.9 | 88% | 0.876 | 48% | 0.479 | S | S | * | . | trans | -70.3 | -6.7 | 174.4 | -64.2 | -176.6 | 179.7 | -178.7 | 0 | 114.1 | L2604 | K2602-L2604 PolarHBondContact O-N 3.12Š| ||
| 2603 | T | 66.4 | Low | 60.2 | Low | 84.5 Ų | 84.5 | 101.2 Ų | 101.2 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | trans | -80.7 | 120.7 | -177.9 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | P2597 R2601 | P2597-T2603 WeakPolarHBondContact CD-O 3.43Å; R2601-T2603 PolarHBondContact O-N 3.24Å | ||
| 2604 | L | 69.3 | Low | 57.8 | Low | 52 Ų | 52 | 105.6 Ų | 105.6 | 27% | 0.272 | 53% | 0.529 | S | S | . | . | trans | -72.9 | 143.2 | 174.2 | -66.6 | 175.8 | 0 | 0 | 0 | 110.9 | L2594 Q2596 K2602 N2759 P2762 | L2594-L2604 HydrophobicContact CB-CB 4.02Å; L2594-L2604 HydrophobicContact CB-CD1 4.32Å; L2594-L2604 HydrophobicContact CB-CD2 4.39Å; L2594-L2604 HydrophobicContact CB-CG 4.48Å; L2594-L2604 HydrophobicContact CD1-CB 3.92Å; L2594-L2604 HydrophobicContact CD1-CD1 3.78Å; L2594-L2604 HydrophobicContact CD1-CG 4.46Å; Q2596-L2604 HydrophobicContact CB-CD2 4.49Å; K2602-L2604 PolarHBondContact O-N 3.12Å; L2604-N2759 VanDerWaalsContact CD1-OD1 3.31Å; L2604-N2759 WeakPolarHBondContact CD1-OD1 3.37Å; L2604-P2762 HydrophobicContact CB-CG 4Å; L2604-P2762 WeakPolarHBondContact O-CB 3.21Å; L2604-P2762 WeakPolarHBondContact O-CG 3.32Å | ||
| 2605 | Q | 72.8 | Confident | 55.3 | Low | 91.5 Ų | 91.5 | 113 Ų | 113 | 43% | 0.428 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 148.7 | 174.8 | -68.3 | -173.4 | -13.3 | 0 | 0 | 110 | L2594 H2595 P2597 R2607 | L2594-Q2605 CarbonylContact C-O 3.5Å; L2594-Q2605 WeakPolarHBondContact CA-O 3.33Å; H2595-Q2605 PolarHBondContact N-O 2.92Å; H2595-Q2605 PolarHBondContact O-N 3.18Å; P2597-Q2605 HydrophobicContact CB-CG 4.47Å; P2597-Q2605 HydrophobicContact CG-CG 3.99Å; Q2605-R2607 PolarHBondContact O-N 3.42Å |
| 2606 | V | 74.9 | Confident | 53 | Low | 23 Ų | 23 | 113 Ų | 113 | 14% | 0.139 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.7 | 130.5 | 177 | -176.7 | 0 | 0 | 0 | 0 | 109 | L2594 Q2608 Y2763 V2766 N2771 | L2594-V2606 HydrophobicContact CD2-CB 4.45Å; L2594-V2606 HydrophobicContact CD2-CG2 3.99Å; V2606-Q2608 PolarHBondContact O-N 3.16Å; V2606-Q2608 VanDerWaalsContact O-N 3.1Å; V2606-Y2763 HydrophobicContact CG1-CD1 4.49Å; V2606-Y2763 HydrophobicContact CG1-CE1 4.43Å; V2606-Y2763 HydrophobicContact CG2-CD1 3.74Å; V2606-Y2763 HydrophobicContact CG2-CE1 4.17Å; V2606-V2766 HydrophobicContact CB-CG2 4.38Å; V2606-V2766 HydrophobicContact CG2-CB 4.12Å; V2606-V2766 HydrophobicContact CG2-CG2 3.94Å; V2606-N2771 HydrophobicContact CG1-CB 4.43Å |
| 2607 | R | 63.9 | Low | 50.7 | Low | 129 Ų | 129 | 114.8 Ų | 114.8 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | trans | -61.2 | 115.5 | 172.8 | -73.9 | -179.4 | -164.2 | 164.2 | 8.3 | 108.7 | S2592 A2593 L2594 H2595 Q2605 | S2592-R2607 PolarHBondContact O-NH1 2.97Å; S2592-R2607 VanDerWaalsContact O-NH1 3.12Å; S2592-R2607 PolarHBondContact O-NH2 3.1Å; A2593-R2607 WeakPolarHBondContact O-CB 3.18Å; A2593-R2607 WeakPolarHBondContact O-CG 3.37Å; A2593-R2607 PolarHBondContact O-N 3.41Å; A2593-R2607 VanDerWaalsContact O-N 3.08Å; L2594-R2607 PolarHBondContact O-NE 3.36Å; L2594-R2607 PolarHBondContact O-NH2 3.14Å; H2595-R2607 HydrophobicContact CB-CG 3.75Å; Q2605-R2607 PolarHBondContact O-N 3.42Å | ||
| 2608 | Q | 58.1 | Low | 49 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | trans | -79 | 121.8 | 165.2 | -63.6 | -173.6 | 1.2 | 0 | 0 | 105.9 | V2606 D2610 | V2606-Q2608 PolarHBondContact O-N 3.16Å; V2606-Q2608 VanDerWaalsContact O-N 3.1Å; Q2608-D2610 PolarHBondContact O-N 3.19Å | ||
| 2609 | L | 49.6 | Very low | 47 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | trans | -70.8 | 90.5 | 169 | -165.8 | 80 | 0 | 0 | 0 | 105.5 | G2611 | L2609-G2611 PolarHBondContact O-N 2.96Š| ||
| 2610 | D | 34.6 | Very low | 44.9 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 65% | 0.652 | 65% | 0.65 | S | S | * | * | trans | -56.2 | 126.9 | 173.5 | -72.5 | -34.7 | 0 | 0 | 0 | 107.7 | Q2608 D2612 | Q2608-D2610 PolarHBondContact O-N 3.19Å; D2610-D2612 PolarHBondContact O-N 3.14Å | ||
| 2611 | G | 31.9 | Very low | 43 | Very low | 74 Ų | 74 | 124 Ų | 124 | 76% | 0.763 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -65.6 | 15.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L2609 L2613 | L2609-G2611 PolarHBondContact O-N 2.96Å; G2611-L2613 VanDerWaalsContact C-N 3.33Å; G2611-L2613 PolarHBondContact O-N 3.26Å |
| 2612 | D | 27.1 | Very low | 41.3 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | trans | -94.6 | 45.6 | -175.9 | -75.2 | -10.2 | 0 | 0 | 0 | 112.4 | D2610 | D2610-D2612 PolarHBondContact O-N 3.14Š| ||
| 2613 | L | 28.7 | Very low | 39.6 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | trans | -102.7 | 49.6 | 164.2 | -70.3 | 176.3 | 0 | 0 | 0 | 111.3 | G2611 N2615 | G2611-L2613 VanDerWaalsContact C-N 3.33Å; G2611-L2613 PolarHBondContact O-N 3.26Å; L2613-N2615 VanDerWaalsContact C-N 3.32Å; L2613-N2615 PolarHBondContact O-N 3.44Å | ||
| 2614 | T | 28.7 | Very low | 37.7 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | trans | -85 | 98 | 149.3 | 58.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2615 | N | 29 | Very low | 35.6 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 86% | 0.861 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 129.8 | 57.9 | 164.8 | -64.4 | -19.3 | 0 | 0 | 0 | 114.7 | L2613 | L2613-N2615 VanDerWaalsContact C-N 3.32Å; L2613-N2615 PolarHBondContact O-N 3.44Å |
| 2616 | S | 24.6 | Very low | 33.5 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -174.1 | 82.5 | 134.1 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 2617 | C | 22.5 | Very low | 31.2 | Very low | 127.5 Ų | 127.5 | 130.4 Ų | 130.4 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | 176.3 | 83.1 | 149.7 | -95 | 0 | 0 | 0 | 0 | 107.1 | Y2619 | C2617-Y2619 VanDerWaalsContact C-N 3.26Å; C2617-Y2619 PolarHBondContact O-N 3.42Å | ||
| 2618 | T | 27.2 | Very low | 29.5 | Very low | 134.5 Ų | 134.5 | 131.8 Ų | 131.8 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 112.7 | 156.8 | 38.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 2619 | Y | 25.5 | Very low | 28 | Very low | 215 Ų | 215 | 131.6 Ų | 131.6 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 158.7 | 119.3 | 171.5 | -80 | -78.4 | 0 | 0 | 0 | 112.5 | C2617 | C2617-Y2619 VanDerWaalsContact C-N 3.26Å; C2617-Y2619 PolarHBondContact O-N 3.42Å |
| 2620 | S | 24.7 | Very low | 27.1 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 55.4 | 75 | 177.9 | 64 | 0 | 0 | 0 | 0 | 115.5 | P2622 | S2620-P2622 VanDerWaalsContact O-CD 3.26Å; S2620-P2622 WeakPolarHBondContact O-CD 3.32Å | ||
| 2621 | Q | 22.9 | Very low | 26.7 | Very low | 181.5 Ų | 181.5 | 136.8 Ų | 136.8 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -58.3 | 119.2 | 151.6 | -78.8 | -168 | -25.1 | 0 | 0 | 107.8 | S2623 | Q2621-S2623 VanDerWaalsContact C-N 3.33Å; Q2621-S2623 PolarHBondContact O-N 3.16Å; Q2621-S2623 VanDerWaalsContact O-N 3.12Å | ||
| 2622 | P | 26.5 | Very low | 26.4 | Very low | 115.5 Ų | 115.5 | 140.5 Ų | 140.5 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | trans | -67.8 | 108.5 | 165.7 | 28.4 | -28.1 | 0 | 0 | 0 | 106.1 | S2620 N2624 | S2620-P2622 VanDerWaalsContact O-CD 3.26Å; S2620-P2622 WeakPolarHBondContact O-CD 3.32Å; P2622-N2624 PolarHBondContact O-N 3.08Å | ||
| 2623 | S | 23.6 | Very low | 26.4 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -52.3 | 120.7 | 175.3 | -44.1 | 0 | 0 | 0 | 0 | 109.2 | Q2621 | Q2621-S2623 VanDerWaalsContact C-N 3.33Å; Q2621-S2623 PolarHBondContact O-N 3.16Å; Q2621-S2623 VanDerWaalsContact O-N 3.12Å |
| 2624 | N | 26.4 | Very low | 26.2 | Very low | 135.5 Ų | 135.5 | 140.4 Ų | 140.4 | 73% | 0.725 | 78% | 0.778 | S | S | * | * | trans | 74.4 | 65.4 | 163.2 | -52.1 | -17.9 | 0 | 0 | 0 | 116.3 | P2622 I2626 | P2622-N2624 PolarHBondContact O-N 3.08Å; N2624-I2626 HydrophobicContact CB-CD1 4.27Å; N2624-I2626 HydrophobicContact CB-CG1 4.32Å; N2624-I2626 PolarHBondContact O-N 2.96Å; N2624-I2626 VanDerWaalsContact O-N 3.11Å | ||
| 2625 | S | 23.6 | Very low | 26 | Very low | 115.5 Ų | 115.5 | 140.7 Ų | 140.7 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -69.7 | 79.7 | 141.1 | 59.1 | 0 | 0 | 0 | 0 | 108.2 | D2627 | S2625-D2627 PolarHBondContact O-N 3.31Å; S2625-D2627 VanDerWaalsContact O-N 3.16Å | ||
| 2626 | I | 30.2 | Very low | 25.8 | Very low | 123 Ų | 123 | 136 Ų | 136 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | trans | -71.4 | 114.3 | 164.2 | -72.3 | 157.9 | 0 | 0 | 0 | 105.6 | N2624 L2628 | N2624-I2626 HydrophobicContact CB-CD1 4.27Å; N2624-I2626 HydrophobicContact CB-CG1 4.32Å; N2624-I2626 PolarHBondContact O-N 2.96Å; N2624-I2626 VanDerWaalsContact O-N 3.11Å; I2626-L2628 VanDerWaalsContact C-N 3.32Å; I2626-L2628 HydrophobicContact CG2-CG 4.4Å; I2626-L2628 PolarHBondContact O-N 3.23Å | ||
| 2627 | D | 26.1 | Very low | 25.8 | Very low | 134.5 Ų | 134.5 | 136.8 Ų | 136.8 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -46.3 | 97.5 | 169 | -87.5 | -38.5 | 0 | 0 | 0 | 109.9 | S2625 T2629 | S2625-D2627 PolarHBondContact O-N 3.31Å; S2625-D2627 VanDerWaalsContact O-N 3.16Å; D2627-T2629 PolarHBondContact O-N 3.42Å | ||
| 2628 | L | 27.7 | Very low | 25.9 | Very low | 158.5 Ų | 158.5 | 138.6 Ų | 138.6 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 24.1 | 176.9 | -87.1 | 168.9 | 0 | 0 | 0 | 112.1 | I2626 | I2626-L2628 VanDerWaalsContact C-N 3.32Å; I2626-L2628 HydrophobicContact CG2-CG 4.4Å; I2626-L2628 PolarHBondContact O-N 3.23Å |
| 2629 | T | 28 | Very low | 25.7 | Very low | 117.5 Ų | 117.5 | 138.3 Ų | 138.3 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -10.9 | 176 | 39.6 | 0 | 0 | 0 | 0 | 115 | D2627 | D2627-T2629 PolarHBondContact O-N 3.42Š|
| 2630 | D | 30.1 | Very low | 25.6 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -105.4 | 4.5 | -174.7 | -86 | 0.8 | 0 | 0 | 0 | 116.4 | ||
| 2631 | R | 26.1 | Very low | 25.5 | Very low | 237.5 Ų | 237.5 | 138.4 Ų | 138.4 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -112.6 | 27.6 | -178.8 | -73.9 | -153.1 | -174 | -158.7 | 3.9 | 117 | ||
| 2632 | I | 26.3 | Very low | 25.6 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -126.3 | 55.7 | 161.8 | -44.8 | 177 | 0 | 0 | 0 | 109.8 | ||||
| 2633 | S | 26.3 | Very low | 25.7 | Very low | 108.5 Ų | 108.5 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -104 | 102.1 | 162.8 | -66.1 | 0 | 0 | 0 | 0 | 107.4 | S2635 | S2633-S2635 VanDerWaalsContact C-N 3.35Å; S2633-S2635 PolarHBondContact O-N 3.27Å | ||
| 2634 | L | 24.9 | Very low | 25.7 | Very low | 168 Ų | 168 | 139 Ų | 139 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | -59.9 | 115.3 | 177.7 | -71.5 | 157.4 | 0 | 0 | 0 | 109.8 | G2636 | L2634-G2636 PolarHBondContact O-N 3.15Š| ||
| 2635 | S | 24 | Very low | 25.6 | Very low | 123.5 Ų | 123.5 | 141.8 Ų | 141.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -67.7 | 113.1 | 178.6 | -158.2 | 0 | 0 | 0 | 0 | 110.2 | S2633 | S2633-S2635 VanDerWaalsContact C-N 3.35Å; S2633-S2635 PolarHBondContact O-N 3.27Å | ||
| 2636 | G | 24.6 | Very low | 25.6 | Very low | 63 Ų | 63 | 141.3 Ų | 141.3 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | trans | -95.1 | 110 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2634 E2638 | L2634-G2636 PolarHBondContact O-N 3.15Å; G2636-E2638 PolarHBondContact O-N 3.24Å | ||
| 2637 | S | 23.9 | Very low | 25.3 | Very low | 112.5 Ų | 112.5 | 141.8 Ų | 141.8 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | trans | 13.4 | 92.3 | 153.1 | -169.5 | 0 | 0 | 0 | 0 | 116.9 | V2639 | S2637-V2639 PolarHBondContact O-N 3.49Š| ||
| 2638 | E | 25.3 | Very low | 25.3 | Very low | 165.5 Ų | 165.5 | 143.2 Ų | 143.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -84.6 | 111.3 | 165.9 | -67.6 | -178 | 170.1 | 0 | 0 | 110.2 | G2636 F2640 | G2636-E2638 PolarHBondContact O-N 3.24Å; E2638-F2640 PolarHBondContact O-N 3.3Å | ||
| 2639 | V | 22.9 | Very low | 25.3 | Very low | 127.5 Ų | 127.5 | 143.4 Ų | 143.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -89.5 | 110.1 | 163.4 | 177 | 0 | 0 | 0 | 0 | 107.3 | S2637 | S2637-V2639 PolarHBondContact O-N 3.49Š| ||
| 2640 | F | 23.4 | Very low | 25.2 | Very low | 183.5 Ų | 183.5 | 149.5 Ų | 149.5 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -95.3 | 127.7 | 170.1 | -84.2 | -90.6 | 0 | 0 | 0 | 111.8 | E2638 | E2638-F2640 PolarHBondContact O-N 3.3Š| ||
| 2641 | E | 22 | Very low | 24.9 | Very low | 144.5 Ų | 144.5 | 148.9 Ų | 148.9 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 147.8 | 169.5 | -90 | -165.1 | 158.3 | 0 | 0 | 112.7 | ||||
| 2642 | P | 26.3 | Very low | 24.8 | Very low | 110.5 Ų | 110.5 | 141.4 Ų | 141.4 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -89.1 | 128.4 | -166.4 | 28.6 | -20.3 | 0 | 0 | 0 | 112.5 | ||||
| 2643 | I | 27.8 | Very low | 24.8 | Very low | 157.5 Ų | 157.5 | 138.9 Ų | 138.9 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -95.5 | 105.6 | 172.3 | -64 | 169.5 | 0 | 0 | 0 | 108.9 | K2645 | I2643-K2645 PolarHBondContact O-N 3.36Š| ||
| 2644 | N | 23 | Very low | 24.9 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -78.2 | 122 | 162.8 | -86.5 | -23.7 | 0 | 0 | 0 | 110.3 | ||||
| 2645 | K | 25.6 | Very low | 24.9 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -115.3 | 120.1 | 162.7 | -70.1 | -176.6 | 176.9 | 173.4 | 0 | 110.4 | I2643 | I2643-K2645 PolarHBondContact O-N 3.36Š| ||
| 2646 | S | 22.7 | Very low | 24.9 | Very low | 104.5 Ų | 104.5 | 140.2 Ų | 140.2 | 73% | 0.731 | 78% | 0.781 | S | S | * | * | trans | -103.5 | 119.5 | 149.7 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2647 | D | 24.8 | Very low | 24.9 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | 112.1 | 120.4 | 119.6 | -77.3 | -39 | 0 | 0 | 0 | 118.2 | |||||
| 2648 | Q | 26.5 | Very low | 25.1 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 62.1 | 108.6 | 130.6 | -60 | -179.4 | 39.5 | 0 | 0 | 120.5 | ||||
| 2649 | I | 27.4 | Very low | 25 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | 114.5 | 108.4 | 113.8 | -69.1 | 156.1 | 0 | 0 | 0 | 113.7 | |||||
| 2650 | R | 25.6 | Very low | 25.1 | Very low | 246 Ų | 246 | 144 Ų | 144 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | trans | 125.4 | 125 | 132.3 | -133.8 | 174.3 | -167.2 | -156.4 | 1.9 | 117.8 | ||||
| 2651 | S | 24.6 | Very low | 25.1 | Very low | 121.5 Ų | 121.5 | 140.1 Ų | 140.1 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | 15.6 | 119.6 | 160.1 | -165.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 2652 | G | 23.4 | Very low | 25.2 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 134.1 | 69.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2653 | S | 26.1 | Very low | 25.3 | Very low | 101.5 Ų | 101.5 | 140.2 Ų | 140.2 | 71% | 0.71 | 79% | 0.787 | S | S | * | * | trans | -143.7 | 124.8 | 150.4 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | D2655 | S2653-D2655 PolarHBondContact O-N 3.49Å; S2653-D2655 PolarHBondContact OG-OD1 3.45Å | ||
| 2654 | S | 27.5 | Very low | 25.1 | Very low | 111.5 Ų | 111.5 | 140.6 Ų | 140.6 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -77.2 | 106.8 | 171.2 | 51.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2655 | D | 26.3 | Very low | 25.2 | Very low | 138.5 Ų | 138.5 | 143.5 Ų | 143.5 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -103.6 | 121.9 | 173.3 | -75.9 | -37.6 | 0 | 0 | 0 | 111.3 | S2653 T2657 | S2653-D2655 PolarHBondContact O-N 3.49Å; S2653-D2655 PolarHBondContact OG-OD1 3.45Å; D2655-T2657 PolarHBondContact O-N 2.95Å | ||
| 2656 | L | 24.2 | Very low | 25.3 | Very low | 176.5 Ų | 176.5 | 140.4 Ų | 140.4 | 92% | 0.924 | 78% | 0.784 | S | S | * | * | trans | -73.6 | 91.5 | 167.7 | -72.2 | 162.4 | 0 | 0 | 0 | 109.4 | ||||
| 2657 | T | 24.3 | Very low | 25.3 | Very low | 113.5 Ų | 113.5 | 143 Ų | 143 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | trans | -145.3 | 105.2 | 157.3 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | D2655 | D2655-T2657 PolarHBondContact O-N 2.95Š| ||
| 2658 | N | 26.7 | Very low | 25.4 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -164.1 | 82.8 | 150.1 | -93.1 | -16.3 | 0 | 0 | 0 | 109.7 | H2660 | N2658-H2660 PolarHBondContact O-N 3.27Š| ||
| 2659 | S | 24.5 | Very low | 25.3 | Very low | 114.5 Ų | 114.5 | 139.1 Ų | 139.1 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -60.4 | 107.7 | 158.7 | 13.3 | 0 | 0 | 0 | 0 | 109.3 | S2661 | S2659-S2661 PolarHBondContact O-N 3.07Š| ||
| 2660 | H | 25.1 | Very low | 25.2 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 98.7 | 173.1 | -70.5 | -77 | 0 | 0 | 0 | 111.3 | N2658 | N2658-H2660 PolarHBondContact O-N 3.27Š| ||
| 2661 | S | 23.1 | Very low | 25.2 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 139.8 | 160.5 | 48.8 | 0 | 0 | 0 | 0 | 109.1 | S2659 | S2659-S2661 PolarHBondContact O-N 3.07Š|
| 2662 | F | 23.6 | Very low | 25.3 | Very low | 193.5 Ų | 193.5 | 133.7 Ų | 133.7 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | 21.4 | 125.7 | 178.2 | -85.8 | -97.7 | 0 | 0 | 0 | 116 | ||
| 2663 | G | 28.6 | Very low | 25.3 | Very low | 63.5 Ų | 63.5 | 136 Ų | 136 | 66% | 0.655 | 78% | 0.78 | S | S | * | * | trans | -114.8 | 95 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F2665 | G2663-F2665 PolarHBondContact O-N 3.34Š| ||
| 2664 | Q | 23.6 | Very low | 25.2 | Very low | 165.5 Ų | 165.5 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -70.7 | 105.6 | 176.3 | -167.3 | 171.9 | 25.7 | 0 | 0 | 109.6 | N2666 | Q2664-N2666 PolarHBondContact O-N 2.97Š| ||
| 2665 | F | 26 | Very low | 25.3 | Very low | 208 Ų | 208 | 139.8 Ų | 139.8 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -97 | 111.4 | 170.5 | -84.6 | -78.8 | 0 | 0 | 0 | 109.9 | G2663 | G2663-F2665 PolarHBondContact O-N 3.34Š| ||
| 2666 | N | 26.3 | Very low | 25 | Very low | 128.5 Ų | 128.5 | 141.1 Ų | 141.1 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 135.8 | 177 | -79.9 | -26.6 | 0 | 0 | 0 | 111.9 | Q2664 | Q2664-N2666 PolarHBondContact O-N 2.97Š| ||
| 2667 | N | 24 | Very low | 25.1 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 12.8 | 110.1 | 144.5 | -57.7 | -10.4 | 0 | 0 | 0 | 117.7 | ||||
| 2668 | A | 27 | Very low | 25.1 | Very low | 103.5 Ų | 103.5 | 140.5 Ų | 140.5 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -123.1 | 100.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 2669 | S | 23.9 | Very low | 25 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -65.8 | 127.7 | 160.1 | 48.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2670 | D | 25.8 | Very low | 25.1 | Very low | 154.5 Ų | 154.5 | 144.3 Ų | 144.3 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -163.3 | 129.9 | 138.5 | -129.2 | -17.2 | 0 | 0 | 0 | 112.1 | ||||
| 2671 | S | 25.2 | Very low | 25.1 | Very low | 97.5 Ų | 97.5 | 143.7 Ų | 143.7 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | trans | -7.8 | 119.2 | 166.1 | 54.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2672 | L | 25.5 | Very low | 25.1 | Very low | 164.5 Ų | 164.5 | 144.2 Ų | 144.2 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | 141.6 | 125.4 | 108.5 | -135.7 | 104.9 | 0 | 0 | 0 | 112.7 | |||||
| 2673 | D | 23.9 | Very low | 25.2 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | 13.3 | 131.4 | 170.4 | -60.6 | -41.1 | 0 | 0 | 0 | 117 | ||||
| 2674 | D | 23.5 | Very low | 25.1 | Very low | 143.5 Ų | 143.5 | 150.4 Ų | 150.4 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | 54.6 | 104.2 | 134.5 | -62.4 | -19.7 | 0 | 0 | 0 | 120.3 | ||||
| 2675 | V | 30.8 | Very low | 25.2 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | -147.5 | 105.3 | 129 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 2676 | E | 20.2 | Very low | 25.2 | Very low | 164.5 Ų | 164.5 | 149.3 Ų | 149.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -70.4 | 145 | 163.7 | -93.2 | -176.3 | 130.4 | 0 | 0 | 111.7 | ||||
| 2677 | Q | 25.1 | Very low | 25.2 | Very low | 168.5 Ų | 168.5 | 148.2 Ų | 148.2 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | trans | 130.3 | 105.6 | 143.3 | -85.8 | 169.2 | 22.8 | 0 | 0 | 116.2 | ||||
| 2678 | S | 24 | Very low | 25.4 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -81.8 | 125.1 | 133 | 51.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2679 | F | 25.1 | Very low | 25.3 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -106.9 | 131.1 | 151.1 | -96.9 | -98.1 | 0 | 0 | 0 | 111.1 | ||||
| 2680 | V | 27 | Very low | 25.4 | Very low | 140.5 Ų | 140.5 | 150.1 Ų | 150.1 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -107.6 | 127.2 | 162.1 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2681 | K | 24.1 | Very low | 25.6 | Very low | 162.5 Ų | 162.5 | 148.6 Ų | 148.6 | 71% | 0.707 | 79% | 0.789 | S | S | * | * | trans | -161.2 | 135.6 | 146.3 | -158.4 | 171.6 | 175.6 | 178.1 | 0 | 111.6 | ||||
| 2682 | D | 25 | Very low | 25.7 | Very low | 111.5 Ų | 111.5 | 151.9 Ų | 151.9 | 60% | 0.596 | 80% | 0.798 | S | S | * | * | trans | 71.5 | 102.2 | 154.8 | -56.3 | -26.7 | 0 | 0 | 0 | 119.4 | ||||
| 2683 | L | 25.8 | Very low | 25.8 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | 144.3 | 96.2 | 110.3 | -80.4 | 170.3 | 0 | 0 | 0 | 111.2 | |||||
| 2684 | Y | 26.4 | Very low | 25.9 | Very low | 216.5 Ų | 216.5 | 148.7 Ų | 148.7 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | trans | -127.8 | 141.2 | 146.3 | -112 | -92.4 | 0 | 0 | 0 | 108.4 | ||||
| 2685 | D | 25.3 | Very low | 26 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | 150.7 | 102.4 | 168.6 | -94.5 | -15.6 | 0 | 0 | 0 | 115.1 | S2687 | D2685-S2687 PolarHBondContact O-N 2.82Š| ||
| 2686 | K | 26 | Very low | 25.7 | Very low | 188.5 Ų | 188.5 | 145.2 Ų | 145.2 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | trans | -102.7 | 113.7 | -173.5 | -163.2 | 176.1 | -173.9 | 177.8 | 0 | 109.8 | I2688 | K2686-I2688 PolarHBondContact O-N 3.4Š| ||
| 2687 | S | 25.6 | Very low | 26 | Very low | 105.5 Ų | 105.5 | 147.6 Ų | 147.6 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -4.7 | 108.5 | 157.7 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | D2685 S2689 | D2685-S2687 PolarHBondContact O-N 2.82Å; S2687-S2689 PolarHBondContact O-N 3.26Å | ||
| 2688 | I | 28.8 | Very low | 26 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -103.8 | 102.9 | 153.1 | -63.5 | 175.3 | 0 | 0 | 0 | 107.9 | K2686 L2690 | K2686-I2688 PolarHBondContact O-N 3.4Å; I2688-L2690 HydrophobicContact CG2-CD1 4.3Å; I2688-L2690 HydrophobicContact CG2-CG 3.88Å; I2688-L2690 PolarHBondContact O-N 2.89Å | ||
| 2689 | S | 23.8 | Very low | 26.2 | Very low | 112.5 Ų | 112.5 | 149.6 Ų | 149.6 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | -88.8 | 106 | 169.1 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | S2687 | S2687-S2689 PolarHBondContact O-N 3.26Š| ||
| 2690 | L | 26.7 | Very low | 26.3 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -101.4 | 132.3 | 164 | -80.6 | 156.8 | 0 | 0 | 0 | 108.5 | I2688 L2692 | I2688-L2690 HydrophobicContact CG2-CD1 4.3Å; I2688-L2690 HydrophobicContact CG2-CG 3.88Å; I2688-L2690 PolarHBondContact O-N 2.89Å; L2690-L2692 PolarHBondContact O-N 3.14Å | ||
| 2691 | P | 29.9 | Very low | 26.5 | Very low | 123.5 Ų | 123.5 | 148.7 Ų | 148.7 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 116.5 | -166.8 | 31.5 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 2692 | L | 27.4 | Very low | 26.6 | Very low | 167.5 Ų | 167.5 | 148.9 Ų | 148.9 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 126.4 | 175.8 | -153.4 | 73.2 | 0 | 0 | 0 | 109.1 | L2690 S2694 | L2690-L2692 PolarHBondContact O-N 3.14Å; L2692-S2694 PolarHBondContact O-N 3.05Å |
| 2693 | P | 26.9 | Very low | 27.2 | Very low | 110.5 Ų | 110.5 | 147.2 Ų | 147.2 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 132 | -175.2 | 27.7 | -32 | 0 | 0 | 0 | 110.6 | S2695 | P2693-S2695 VanDerWaalsContact C-N 3.29Å; P2693-S2695 PolarHBondContact O-N 3.31Å |
| 2694 | S | 26.4 | Very low | 27.5 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -59.5 | 91.8 | 175 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | L2692 C2696 | L2692-S2694 PolarHBondContact O-N 3.05Å; S2694-C2696 PolarHBondContact O-N 3.45Å | ||
| 2695 | S | 26.6 | Very low | 28.1 | Very low | 95.5 Ų | 95.5 | 137.3 Ų | 137.3 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | trans | -108.4 | 98.9 | 157.3 | 57.8 | 0 | 0 | 0 | 0 | 108.6 | P2693 Y2697 | P2693-S2695 VanDerWaalsContact C-N 3.29Å; P2693-S2695 PolarHBondContact O-N 3.31Å; S2695-Y2697 PolarHBondContact O-N 3.44Å | ||
| 2696 | C | 23.6 | Very low | 28.8 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -58.2 | 99.6 | 177.1 | -60.2 | 0 | 0 | 0 | 0 | 111 | S2694 S2698 | S2694-C2696 PolarHBondContact O-N 3.45Å; C2696-S2698 PolarHBondContact O-N 3.41Å; C2696-S2698 VanDerWaalsContact O-N 3.07Å | ||
| 2697 | Y | 27.1 | Very low | 29.3 | Very low | 216 Ų | 216 | 130.1 Ų | 130.1 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | trans | -84.4 | 100.7 | 157.9 | -80.9 | -83.3 | 0 | 0 | 0 | 108.3 | S2695 K2699 | S2695-Y2697 PolarHBondContact O-N 3.44Å; Y2697-K2699 VanDerWaalsContact C-N 3.32Å; Y2697-K2699 PolarHBondContact O-N 3.11Å | ||
| 2698 | S | 25.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -59.2 | 96.3 | 168.7 | -72.9 | 0 | 0 | 0 | 0 | 109.9 | C2696 S2700 | C2696-S2698 PolarHBondContact O-N 3.41Å; C2696-S2698 VanDerWaalsContact O-N 3.07Å; S2698-S2700 PolarHBondContact O-N 3.19Å | ||
| 2699 | K | 27.1 | Very low | 30.4 | Very low | 197.5 Ų | 197.5 | 125.7 Ų | 125.7 | 86% | 0.859 | 70% | 0.704 | S | S | * | * | trans | -66.9 | 105 | 167.4 | -76.8 | 179.5 | 176.2 | 176.5 | 0 | 108.6 | Y2697 R2701 | Y2697-K2699 VanDerWaalsContact C-N 3.32Å; Y2697-K2699 PolarHBondContact O-N 3.11Å; K2699-R2701 PolarHBondContact O-N 2.9Å | ||
| 2700 | S | 28 | Very low | 31.1 | Very low | 90.5 Ų | 90.5 | 123.7 Ų | 123.7 | 63% | 0.633 | 69% | 0.685 | S | S | * | * | trans | -61.5 | 129 | 166.6 | 63.3 | 0 | 0 | 0 | 0 | 109 | S2698 H2702 | S2698-S2700 PolarHBondContact O-N 3.19Å; S2700-H2702 PolarHBondContact O-N 3.4Å | ||
| 2701 | R | 30 | Very low | 31.9 | Very low | 233.5 Ų | 233.5 | 119.8 Ų | 119.8 | 88% | 0.881 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 22.5 | -174.9 | -72 | -177.2 | -178.3 | 176.4 | 0.5 | 114.5 | K2699 | K2699-R2701 PolarHBondContact O-N 2.9Š|
| 2702 | H | 27.7 | Very low | 32.5 | Very low | 165.5 Ų | 165.5 | 118.8 Ų | 118.8 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 1 | 176.9 | -73.9 | -75.9 | 0 | 0 | 0 | 114 | S2700 | S2700-H2702 PolarHBondContact O-N 3.4Š|
| 2703 | S | 36.1 | Very low | 33.4 | Very low | 77 Ų | 77 | 113.4 Ų | 113.4 | 54% | 0.538 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -86.6 | -17.8 | -177.2 | 135.8 | 0 | 0 | 0 | 0 | 115.2 | V2705 L2707 | S2703-V2705 PolarHBondContact O-N 3.36Å; S2703-L2707 PolarHBondContact O-N 3.09Å |
| 2704 | S | 33.5 | Very low | 34.4 | Very low | 72 Ų | 72 | 113 Ų | 113 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.5 | -33.7 | -174.2 | 47.6 | 0 | 0 | 0 | 0 | 113.4 | L2707 L2708 | S2704-L2707 PolarHBondContact O-N 2.91Å; S2704-L2708 PolarHBondContact O-N 3.3Å |
| 2705 | V | 38.2 | Very low | 35.2 | Very low | 106.5 Ų | 106.5 | 112 Ų | 112 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.8 | -38.2 | -179.6 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | S2703 L2707 L2708 S2709 | S2703-V2705 PolarHBondContact O-N 3.36Å; V2705-L2707 VanDerWaalsContact C-N 3.32Å; V2705-L2707 PolarHBondContact O-N 3.3Å; V2705-L2708 PolarHBondContact O-N 2.92Å; V2705-S2709 PolarHBondContact O-N 3.09Å; V2705-S2709 PolarHBondContact O-OG 3.06Å |
| 2706 | N | 40.6 | Very low | 36.2 | Very low | 103.5 Ų | 103.5 | 115.8 Ų | 115.8 | 55% | 0.553 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.3 | -28 | 176 | -81.1 | -10.2 | 0 | 0 | 0 | 112.9 | S2709 N2710 | N2706-S2709 WeakPolarHBondContact CA-OG 3.22Å; N2706-S2709 PolarHBondContact O-OG 3.27Å; N2706-S2709 VanDerWaalsContact O-OG 3.11Å; N2706-N2710 VanDerWaalsContact O-CB 3.29Å; N2706-N2710 WeakPolarHBondContact O-CB 3.38Å; N2706-N2710 PolarHBondContact O-N 3.04Å; N2706-N2710 PolarHBondContact O-ND2 2.95Å; N2706-N2710 VanDerWaalsContact O-ND2 3.09Å; N2706-N2710 PolarHBondContact O-OD1 3.4Å |
| 2707 | L | 37.3 | Very low | 37.4 | Very low | 96.5 Ų | 96.5 | 111.6 Ų | 111.6 | 51% | 0.505 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.5 | -44.9 | 174.5 | -113 | 164.2 | 0 | 0 | 0 | 110.9 | S2703 S2704 V2705 N2710 E2711 | S2703-L2707 PolarHBondContact O-N 3.09Å; S2704-L2707 PolarHBondContact O-N 2.91Å; V2705-L2707 VanDerWaalsContact C-N 3.32Å; V2705-L2707 PolarHBondContact O-N 3.3Å; L2707-N2710 PolarHBondContact O-N 3.17Å; L2707-E2711 WeakPolarHBondContact O-CB 3.35Å; L2707-E2711 PolarHBondContact O-N 3.16Å |
| 2708 | L | 35.9 | Very low | 38.8 | Very low | 115 Ų | 115 | 103.5 Ų | 103.5 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 176.5 | -102.6 | 97.5 | 0 | 0 | 0 | 112.5 | S2704 V2705 N2710 E2711 I2712 | S2704-L2708 PolarHBondContact O-N 3.3Å; V2705-L2708 PolarHBondContact O-N 2.92Å; L2708-N2710 VanDerWaalsContact C-N 3.32Å; L2708-N2710 PolarHBondContact O-N 3.37Å; L2708-E2711 WeakPolarHBondContact O-CB 3.26Å; L2708-E2711 PolarHBondContact O-N 3.4Å; L2708-E2711 VanDerWaalsContact O-N 3.09Å; L2708-I2712 WeakPolarHBondContact O-CB 3.46Å; L2708-I2712 WeakPolarHBondContact O-CD1 3.37Å; L2708-I2712 WeakPolarHBondContact O-CG1 3.44Å; L2708-I2712 PolarHBondContact O-N 3.05Å |
| 2709 | S | 39.7 | Very low | 40.4 | Very low | 48.5 Ų | 48.5 | 100.5 Ų | 100.5 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 177 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | V2705 N2706 E2711 I2712 T2713 | V2705-S2709 PolarHBondContact O-N 3.09Å; V2705-S2709 PolarHBondContact O-OG 3.06Å; N2706-S2709 WeakPolarHBondContact CA-OG 3.22Å; N2706-S2709 PolarHBondContact O-OG 3.27Å; N2706-S2709 VanDerWaalsContact O-OG 3.11Å; S2709-E2711 VanDerWaalsContact C-N 3.28Å; S2709-E2711 PolarHBondContact O-N 3.25Å; S2709-I2712 PolarHBondContact O-N 2.83Å; S2709-T2713 WeakPolarHBondContact O-CB 3.2Å; S2709-T2713 WeakPolarHBondContact O-CG2 3.46Å; S2709-T2713 PolarHBondContact O-N 3.04Å; S2709-T2713 PolarHBondContact O-OG1 3.26Å |
| 2710 | N | 40.3 | Very low | 42.5 | Very low | 69.5 Ų | 69.5 | 93.6 Ų | 93.6 | 37% | 0.372 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -32.1 | 173.8 | -74 | -23.1 | 0 | 0 | 0 | 112.7 | N2706 L2707 L2708 T2713 R2714 | N2706-N2710 VanDerWaalsContact O-CB 3.29Å; N2706-N2710 WeakPolarHBondContact O-CB 3.38Å; N2706-N2710 PolarHBondContact O-N 3.04Å; N2706-N2710 PolarHBondContact O-ND2 2.95Å; N2706-N2710 VanDerWaalsContact O-ND2 3.09Å; N2706-N2710 PolarHBondContact O-OD1 3.4Å; L2707-N2710 PolarHBondContact O-N 3.17Å; L2708-N2710 VanDerWaalsContact C-N 3.32Å; L2708-N2710 PolarHBondContact O-N 3.37Å; N2710-T2713 VanDerWaalsContact CA-OG1 3.24Å; N2710-T2713 WeakPolarHBondContact CA-OG1 3.44Å; N2710-T2713 PolarHBondContact O-OG1 3.18Å; N2710-T2713 VanDerWaalsContact O-OG1 3.11Å; N2710-R2714 WeakPolarHBondContact O-CB 3.38Å; N2710-R2714 WeakPolarHBondContact O-CG 3.36Å; N2710-R2714 PolarHBondContact O-N 3.07Å; N2710-R2714 VanDerWaalsContact O-N 3.07Å; N2710-R2714 PolarHBondContact O-NE 3.23Å |
| 2711 | E | 42.8 | Very low | 45 | Very low | 68 Ų | 68 | 90 Ų | 90 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.5 | -45.1 | 175.7 | -147.6 | 69.7 | -129.8 | 0 | 0 | 110.8 | L2707 L2708 S2709 T2713 R2714 I2715 | L2707-E2711 WeakPolarHBondContact O-CB 3.35Å; L2707-E2711 PolarHBondContact O-N 3.16Å; L2708-E2711 WeakPolarHBondContact O-CB 3.26Å; L2708-E2711 PolarHBondContact O-N 3.4Å; L2708-E2711 VanDerWaalsContact O-N 3.09Å; S2709-E2711 VanDerWaalsContact C-N 3.28Å; S2709-E2711 PolarHBondContact O-N 3.25Å; E2711-T2713 PolarHBondContact O-N 3.19Å; E2711-R2714 CarbonylContact O-C 3.53Å; E2711-R2714 WeakPolarHBondContact O-CA 3.25Å; E2711-R2714 WeakPolarHBondContact O-CB 3.4Å; E2711-R2714 PolarHBondContact O-N 2.97Å; E2711-R2714 VanDerWaalsContact O-N 3.08Å; E2711-R2714 IonicContact OE1-CZ 3.72Å; E2711-R2714 IonicContact OE1-NH1 3.21Å; E2711-R2714 PolarHBondContact OE1-NH1 2.96Å; E2711-R2714 IonicContact OE2-CZ 3.69Å; E2711-R2714 IonicContact OE2-NH1 2.75Å; E2711-R2714 PolarHBondContact OE2-NH1 3.08Å; E2711-R2714 IonicContact OE2-NH2 2.95Å; E2711-R2714 PolarHBondContact OE2-NH2 3.42Å; E2711-I2715 HydrophobicContact CG-CD1 4.45Å; E2711-I2715 WeakPolarHBondContact O-CB 3.33Å; E2711-I2715 VanDerWaalsContact O-CG1 3.3Å; E2711-I2715 WeakPolarHBondContact O-CG1 3.43Å; E2711-I2715 PolarHBondContact O-N 3.4Å |
| 2712 | I | 43.4 | Very low | 47.6 | Very low | 103.5 Ų | 103.5 | 79 Ų | 79 | 53% | 0.531 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 178.4 | -67 | 165.5 | 0 | 0 | 0 | 110.6 | L2708 S2709 I2715 R2716 | L2708-I2712 WeakPolarHBondContact O-CB 3.46Å; L2708-I2712 WeakPolarHBondContact O-CD1 3.37Å; L2708-I2712 WeakPolarHBondContact O-CG1 3.44Å; L2708-I2712 PolarHBondContact O-N 3.05Å; S2709-I2712 PolarHBondContact O-N 2.83Å; I2712-I2715 PolarHBondContact O-N 3.14Å; I2712-R2716 WeakPolarHBondContact O-CB 3.29Å; I2712-R2716 PolarHBondContact O-N 3.33Å |
| 2713 | T | 45.7 | Very low | 50.4 | Low | 53.5 Ų | 53.5 | 71.3 Ų | 71.3 | 33% | 0.328 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | S2709 N2710 E2711 I2715 R2716 M2717 | S2709-T2713 WeakPolarHBondContact O-CB 3.2Å; S2709-T2713 WeakPolarHBondContact O-CG2 3.46Å; S2709-T2713 PolarHBondContact O-N 3.04Å; S2709-T2713 PolarHBondContact O-OG1 3.26Å; N2710-T2713 VanDerWaalsContact CA-OG1 3.24Å; N2710-T2713 WeakPolarHBondContact CA-OG1 3.44Å; N2710-T2713 PolarHBondContact O-OG1 3.18Å; N2710-T2713 VanDerWaalsContact O-OG1 3.11Å; E2711-T2713 PolarHBondContact O-N 3.19Å; T2713-I2715 VanDerWaalsContact C-N 3.32Å; T2713-I2715 PolarHBondContact O-N 3.17Å; T2713-R2716 PolarHBondContact O-N 3.17Å; T2713-M2717 WeakPolarHBondContact O-CB 3.16Å; T2713-M2717 WeakPolarHBondContact O-CG 3.39Å; T2713-M2717 PolarHBondContact O-N 3.43Å |
| 2714 | R | 46.4 | Very low | 52.6 | Low | 101 Ų | 101 | 67.7 Ų | 67.7 | 38% | 0.381 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -34.1 | 173.4 | -86 | -177 | -103.3 | 134.3 | 1 | 113.8 | N2710 E2711 R2718 | N2710-R2714 WeakPolarHBondContact O-CB 3.38Å; N2710-R2714 WeakPolarHBondContact O-CG 3.36Å; N2710-R2714 PolarHBondContact O-N 3.07Å; N2710-R2714 VanDerWaalsContact O-N 3.07Å; N2710-R2714 PolarHBondContact O-NE 3.23Å; E2711-R2714 CarbonylContact O-C 3.53Å; E2711-R2714 WeakPolarHBondContact O-CA 3.25Å; E2711-R2714 WeakPolarHBondContact O-CB 3.4Å; E2711-R2714 PolarHBondContact O-N 2.97Å; E2711-R2714 VanDerWaalsContact O-N 3.08Å; E2711-R2714 IonicContact OE1-CZ 3.72Å; E2711-R2714 IonicContact OE1-NH1 3.21Å; E2711-R2714 PolarHBondContact OE1-NH1 2.96Å; E2711-R2714 IonicContact OE2-CZ 3.69Å; E2711-R2714 IonicContact OE2-NH1 2.75Å; E2711-R2714 PolarHBondContact OE2-NH1 3.08Å; E2711-R2714 IonicContact OE2-NH2 2.95Å; E2711-R2714 PolarHBondContact OE2-NH2 3.42Å; R2714-R2718 WeakPolarHBondContact O-CG 3.43Å; R2714-R2718 PolarHBondContact O-N 3.16Å |
| 2715 | I | 45.2 | Very low | 55.2 | Low | 95 Ų | 95 | 64.2 Ų | 64.2 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72.7 | -44.6 | 175.8 | -67.8 | 163.2 | 0 | 0 | 0 | 109.6 | E2711 I2712 T2713 M2717 R2718 | E2711-I2715 HydrophobicContact CG-CD1 4.45Å; E2711-I2715 WeakPolarHBondContact O-CB 3.33Å; E2711-I2715 VanDerWaalsContact O-CG1 3.3Å; E2711-I2715 WeakPolarHBondContact O-CG1 3.43Å; E2711-I2715 PolarHBondContact O-N 3.4Å; I2712-I2715 PolarHBondContact O-N 3.14Å; T2713-I2715 VanDerWaalsContact C-N 3.32Å; T2713-I2715 PolarHBondContact O-N 3.17Å; I2715-M2717 VanDerWaalsContact C-N 3.34Å; I2715-M2717 PolarHBondContact O-N 3.31Å; I2715-R2718 WeakPolarHBondContact O-CB 3.44Å; I2715-R2718 PolarHBondContact O-N 3.15Å; I2715-R2718 VanDerWaalsContact O-N 3.15Å |
| 2716 | R | 47.2 | Very low | 57.7 | Low | 177 Ų | 177 | 59.2 Ų | 59.2 | 67% | 0.668 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 177.3 | -175.9 | 179.2 | -89.1 | -170.4 | -5.3 | 112.7 | I2712 T2713 R2718 S2719 | I2712-R2716 WeakPolarHBondContact O-CB 3.29Å; I2712-R2716 PolarHBondContact O-N 3.33Å; T2713-R2716 PolarHBondContact O-N 3.17Å; R2716-R2718 PolarHBondContact O-N 3.29Å; R2716-S2719 PolarHBondContact O-OG 2.95Å |
| 2717 | M | 48.6 | Very low | 60 | Low | 33 Ų | 33 | 56.8 Ų | 56.8 | 16% | 0.163 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.1 | 174 | -71.4 | -105.5 | -165.3 | 0 | 0 | 112.4 | T2713 I2715 S2719 I2723 D2773 T2776 V2777 | T2713-M2717 WeakPolarHBondContact O-CB 3.16Å; T2713-M2717 WeakPolarHBondContact O-CG 3.39Å; T2713-M2717 PolarHBondContact O-N 3.43Å; I2715-M2717 VanDerWaalsContact C-N 3.34Å; I2715-M2717 PolarHBondContact O-N 3.31Å; M2717-S2719 VanDerWaalsContact C-N 3.33Å; M2717-S2719 PolarHBondContact O-N 3.48Å; M2717-I2723 HydrophobicContact CB-CD1 4.49Å; M2717-I2723 HydrophobicContact CB-CG2 4.21Å; M2717-I2723 HydrophobicContact SD-CD1 4.16Å; M2717-I2723 HydrophobicContact SD-CG2 4.04Å; M2717-D2773 VanDerWaalsContact CE-CA 3.43Å; M2717-D2773 HydrophobicContact CE-CB 3.6Å; M2717-D2773 WeakPolarHBondContact CE-OD1 3.3Å; M2717-D2773 HydrophobicContact CG-CB 4.12Å; M2717-D2773 HydrophobicContact SD-CB 3.61Å; M2717-D2773 VanDerWaalsContact SD-CB 3.56Å; M2717-T2776 HydrophobicContact CE-CG2 4.42Å; M2717-V2777 HydrophobicContact CE-CG2 4.31Å; M2717-V2777 HydrophobicContact SD-CG2 3.72Å |
| 2718 | R | 55.6 | Low | 62.4 | Low | 45 Ų | 45 | 52.2 Ų | 52.2 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -24.2 | -166.2 | -110 | 179 | 179.5 | 80.8 | -18.6 | 113.9 | A2347 Y2355 G2356 P2357 R2714 I2715 R2716 Q2724 | A2347-R2718 HydrophobicContact CB-CB 4.06Å; A2347-R2718 HydrophobicContact CB-CG 3.94Å; Y2355-R2718 PolarHBondContact O-NE 3.05Å; Y2355-R2718 VanDerWaalsContact O-NE 3.16Å; Y2355-R2718 PolarHBondContact O-NH2 3.36Å; Y2355-R2718 VanDerWaalsContact O-NH2 3.12Å; G2356-R2718 VanDerWaalsContact CA-NH2 3.31Å; P2357-R2718 VanDerWaalsContact CD-CG 3.45Å; P2357-R2718 HydrophobicContact CG-CB 4.26Å; P2357-R2718 HydrophobicContact CG-CG 3.99Å; R2714-R2718 WeakPolarHBondContact O-CG 3.43Å; R2714-R2718 PolarHBondContact O-N 3.16Å; I2715-R2718 WeakPolarHBondContact O-CB 3.44Å; I2715-R2718 PolarHBondContact O-N 3.15Å; I2715-R2718 VanDerWaalsContact O-N 3.15Å; R2716-R2718 PolarHBondContact O-N 3.29Å; R2718-Q2724 PolarHBondContact O-NE2 3.45Å |
| 2719 | S | 58.7 | Low | 65 | Low | 59.5 Ų | 59.5 | 46.8 Ų | 46.8 | 42% | 0.416 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -19.6 | -177.2 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | T2342 R2716 M2717 V2721 | T2342-S2719 WeakPolarHBondContact CG2-O 3.39Å; R2716-S2719 PolarHBondContact O-OG 2.95Å; M2717-S2719 VanDerWaalsContact C-N 3.33Å; M2717-S2719 PolarHBondContact O-N 3.48Å; S2719-V2721 PolarHBondContact O-N 2.99Å |
| 2720 | D | 72.6 | Confident | 67.4 | Low | 52 Ų | 52 | 45.5 Ų | 45.5 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | trans | -80.8 | 112.5 | -177.6 | -167.1 | -20.1 | 0 | 0 | 0 | 111 | T2722 I2723 Q2724 H2774 | D2720-T2722 PolarHBondContact O-N 3.23Å; D2720-T2722 WeakPolarHBondContact OD1-CB 3.34Å; D2720-T2722 PolarHBondContact OD1-N 3.21Å; D2720-T2722 PolarHBondContact OD1-OG1 2.87Å; D2720-T2722 PolarHBondContact OD2-OG1 3.37Å; D2720-I2723 HydrophobicContact CB-CB 4.27Å; D2720-I2723 HydrophobicContact CB-CD1 3.86Å; D2720-I2723 HydrophobicContact CB-CG1 3.92Å; D2720-I2723 WeakPolarHBondContact O-CB 3.44Å; D2720-I2723 PolarHBondContact O-N 3.18Å; D2720-I2723 VanDerWaalsContact O-N 3.1Å; D2720-Q2724 PolarHBondContact O-N 3.04Å; D2720-Q2724 VanDerWaalsContact O-N 3.12Å; D2720-H2774 IonicContact OD2-CE1 3.14Å; D2720-H2774 PolarHBondContact OD2-CE1 3.09Å; D2720-H2774 VanDerWaalsContact OD2-CE1 3.27Å; D2720-H2774 IonicContact OD2-NE2 2.74Å; D2720-H2774 PolarHBondContact OD2-NE2 2.94Å | ||
| 2721 | V | 79.7 | Confident | 69.6 | Low | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -31 | 179 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | T2342 P2546 F2550 I2589 S2719 Q2724 A2725 | T2342-V2721 VanDerWaalsContact O-CG2 3.3Å; T2342-V2721 WeakPolarHBondContact O-CG2 3.27Å; P2546-V2721 HydrophobicContact CB-CG1 3.42Å; P2546-V2721 VanDerWaalsContact CB-CG1 3.42Å; P2546-V2721 HydrophobicContact CG-CG1 3.98Å; F2550-V2721 HydrophobicContact CE2-CG1 3.95Å; F2550-V2721 HydrophobicContact CZ-CG1 3.79Å; I2589-V2721 HydrophobicContact CG2-CG1 3.72Å; S2719-V2721 PolarHBondContact O-N 2.99Å; V2721-Q2724 PolarHBondContact O-N 2.93Å; V2721-A2725 WeakPolarHBondContact O-CB 3.39Å; V2721-A2725 PolarHBondContact O-N 2.92Å |
| 2722 | T | 84.9 | Confident | 71.8 | Confident | 3.5 Ų | 3.5 | 42.8 Ų | 42.8 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.5 | -38.5 | 179.3 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | I2589 S2592 A2593 D2720 A2725 I2726 H2774 | I2589-T2722 WeakPolarHBondContact O-CG2 3.31Å; S2592-T2722 VanDerWaalsContact OG-CG2 3.25Å; S2592-T2722 WeakPolarHBondContact OG-CG2 3.36Å; A2593-T2722 HydrophobicContact CB-CG2 3.65Å; D2720-T2722 PolarHBondContact O-N 3.23Å; D2720-T2722 WeakPolarHBondContact OD1-CB 3.34Å; D2720-T2722 PolarHBondContact OD1-N 3.21Å; D2720-T2722 PolarHBondContact OD1-OG1 2.87Å; D2720-T2722 PolarHBondContact OD2-OG1 3.37Å; T2722-A2725 PolarHBondContact O-N 2.86Å; T2722-I2726 VanDerWaalsContact O-CG1 3.28Å; T2722-I2726 WeakPolarHBondContact O-CG1 3.33Å; T2722-I2726 PolarHBondContact O-N 3.38Å; T2722-I2726 VanDerWaalsContact O-N 3.08Å; T2722-H2774 PolarHBondContact OG1-CD2 3.16Å; T2722-H2774 PolarHBondContact OG1-NE2 3.23Å |
| 2723 | I | 85.1 | Confident | 74 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -48.2 | 173.9 | -63.1 | 179.5 | 0 | 0 | 0 | 109.4 | M2717 D2720 A2725 I2726 E2727 D2773 V2777 | M2717-I2723 HydrophobicContact CB-CD1 4.49Å; M2717-I2723 HydrophobicContact CB-CG2 4.21Å; M2717-I2723 HydrophobicContact SD-CD1 4.16Å; M2717-I2723 HydrophobicContact SD-CG2 4.04Å; D2720-I2723 HydrophobicContact CB-CB 4.27Å; D2720-I2723 HydrophobicContact CB-CD1 3.86Å; D2720-I2723 HydrophobicContact CB-CG1 3.92Å; D2720-I2723 WeakPolarHBondContact O-CB 3.44Å; D2720-I2723 PolarHBondContact O-N 3.18Å; D2720-I2723 VanDerWaalsContact O-N 3.1Å; I2723-A2725 VanDerWaalsContact C-N 3.27Å; I2723-A2725 PolarHBondContact O-N 3.01Å; I2723-I2726 PolarHBondContact O-N 3Å; I2723-I2726 VanDerWaalsContact O-N 3.15Å; I2723-E2727 HydrophobicContact CG2-CG 4.45Å; I2723-E2727 WeakPolarHBondContact O-CG 3.31Å; I2723-E2727 PolarHBondContact O-N 3.01Å; I2723-D2773 HydrophobicContact CD1-CB 3.81Å; I2723-V2777 HydrophobicContact CG2-CG2 3.85Å |
| 2724 | Q | 83.2 | Confident | 76.1 | Confident | 0.5 Ų | 0.5 | 35.5 Ų | 35.5 | 0% | 0.002 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.7 | -40.8 | 176.3 | -63.6 | 179.1 | 9.3 | 0 | 0 | 111.9 | L2345 P2357 F2550 R2718 D2720 V2721 E2727 L2728 | L2345-Q2724 PolarHBondContact O-NE2 2.93Å; L2345-Q2724 VanDerWaalsContact O-NE2 3.14Å; P2357-Q2724 HydrophobicContact CG-CG 4.16Å; F2550-Q2724 HydrophobicContact CD2-CB 4.47Å; F2550-Q2724 HydrophobicContact CE2-CB 3.8Å; F2550-Q2724 HydrophobicContact CZ-CB 4.31Å; R2718-Q2724 PolarHBondContact O-NE2 3.45Å; D2720-Q2724 PolarHBondContact O-N 3.04Å; D2720-Q2724 VanDerWaalsContact O-N 3.12Å; V2721-Q2724 PolarHBondContact O-N 2.93Å; Q2724-E2727 PolarHBondContact O-N 2.97Å; Q2724-L2728 VanDerWaalsContact O-CB 3.28Å; Q2724-L2728 WeakPolarHBondContact O-CB 3.22Å; Q2724-L2728 PolarHBondContact O-N 2.84Å |
| 2725 | A | 88.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F2550 T2586 I2589 A2590 V2721 T2722 I2723 L2728 L2729 | F2550-A2725 HydrophobicContact CE1-CB 3.84Å; F2550-A2725 HydrophobicContact CZ-CB 3.81Å; T2586-A2725 HydrophobicContact CG2-CB 4.11Å; I2589-A2725 HydrophobicContact CB-CB 4.2Å; I2589-A2725 HydrophobicContact CG2-CB 3.91Å; A2590-A2725 HydrophobicContact CB-CB 4.1Å; V2721-A2725 WeakPolarHBondContact O-CB 3.39Å; V2721-A2725 PolarHBondContact O-N 2.92Å; T2722-A2725 PolarHBondContact O-N 2.86Å; I2723-A2725 VanDerWaalsContact C-N 3.27Å; I2723-A2725 PolarHBondContact O-N 3.01Å; A2725-L2728 PolarHBondContact O-N 3.09Å; A2725-L2729 WeakPolarHBondContact O-CG 3.33Å; A2725-L2729 PolarHBondContact O-N 3.28Å |
| 2726 | I | 90.2 | Very high | 80.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.7 | -38 | 179.2 | -56.5 | 166.8 | 0 | 0 | 0 | 110.7 | A2590 T2722 I2723 L2728 L2729 T2730 I2760 Y2763 V2777 L2781 | A2590-I2726 HydrophobicContact CB-CD1 4.38Å; A2590-I2726 HydrophobicContact CB-CG1 3.64Å; T2722-I2726 VanDerWaalsContact O-CG1 3.28Å; T2722-I2726 WeakPolarHBondContact O-CG1 3.33Å; T2722-I2726 PolarHBondContact O-N 3.38Å; T2722-I2726 VanDerWaalsContact O-N 3.08Å; I2723-I2726 PolarHBondContact O-N 3Å; I2723-I2726 VanDerWaalsContact O-N 3.15Å; I2726-L2728 VanDerWaalsContact C-N 3.34Å; I2726-L2728 PolarHBondContact O-N 2.91Å; I2726-L2729 PolarHBondContact O-N 3.24Å; I2726-T2730 WeakPolarHBondContact O-CB 3.19Å; I2726-T2730 PolarHBondContact O-N 3.35Å; I2726-T2730 PolarHBondContact O-OG1 3.14Å; I2726-I2760 HydrophobicContact CD1-CD1 4.4Å; I2726-I2760 HydrophobicContact CG1-CD1 4.06Å; I2726-I2760 HydrophobicContact CG2-CD1 4.35Å; I2726-Y2763 HydrophobicContact CD1-CD2 4.14Å; I2726-Y2763 HydrophobicContact CD1-CE2 4.08Å; I2726-V2777 HydrophobicContact CB-CG1 3.7Å; I2726-V2777 HydrophobicContact CG2-CB 4.29Å; I2726-V2777 HydrophobicContact CG2-CG1 3.55Å; I2726-L2781 HydrophobicContact CG2-CB 4.14Å; I2726-L2781 HydrophobicContact CG2-CD2 3.89Å |
| 2727 | E | 89 | Confident | 82.1 | Confident | 54 Ų | 54 | 21.9 Ų | 21.9 | 25% | 0.252 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 173.6 | -74.6 | -171.9 | 149.7 | 0 | 0 | 111 | L2358 I2723 Q2724 L2729 T2730 E2731 V2777 | L2358-E2727 HydrophobicContact CD1-CB 3.47Å; L2358-E2727 VanDerWaalsContact CD1-CB 3.43Å; I2723-E2727 HydrophobicContact CG2-CG 4.45Å; I2723-E2727 WeakPolarHBondContact O-CG 3.31Å; I2723-E2727 PolarHBondContact O-N 3.01Å; Q2724-E2727 PolarHBondContact O-N 2.97Å; E2727-L2729 VanDerWaalsContact C-N 3.33Å; E2727-L2729 PolarHBondContact O-N 2.91Å; E2727-T2730 WeakPolarHBondContact O-CA 3.2Å; E2727-T2730 VanDerWaalsContact O-CB 3.28Å; E2727-T2730 WeakPolarHBondContact O-CB 3.4Å; E2727-T2730 PolarHBondContact O-N 3.01Å; E2727-E2731 PolarHBondContact O-N 3.19Å; E2727-V2777 HydrophobicContact CB-CG1 4.2Å; E2727-V2777 HydrophobicContact CG-CB 4.35Å; E2727-V2777 HydrophobicContact CG-CG1 3.39Å; E2727-V2777 HydrophobicContact CG-CG2 3.96Å |
| 2728 | L | 87.2 | Confident | 84 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 177.7 | -172.3 | 71.6 | 0 | 0 | 0 | 112.5 | L2358 F2550 I2553 K2554 T2586 Q2724 A2725 I2726 T2730 N2732 | L2358-L2728 HydrophobicContact CD1-CB 4.4Å; L2358-L2728 HydrophobicContact CD2-CB 4.3Å; L2358-L2728 HydrophobicContact CD2-CD1 3.95Å; F2550-L2728 HydrophobicContact CB-CD2 3.72Å; F2550-L2728 HydrophobicContact CD1-CD2 3.44Å; F2550-L2728 VanDerWaalsContact CD1-CD2 3.44Å; F2550-L2728 HydrophobicContact CE1-CD2 4.32Å; F2550-L2728 HydrophobicContact CG-CD2 3.79Å; I2553-L2728 HydrophobicContact CB-CD2 3.92Å; I2553-L2728 HydrophobicContact CB-CG 4.37Å; I2553-L2728 HydrophobicContact CD1-CD2 3.44Å; I2553-L2728 VanDerWaalsContact CD1-CD2 3.44Å; I2553-L2728 HydrophobicContact CD1-CG 4.04Å; I2553-L2728 HydrophobicContact CG1-CD2 4.2Å; I2553-L2728 HydrophobicContact CG2-CD1 3.88Å; I2553-L2728 HydrophobicContact CG2-CD2 4Å; I2553-L2728 HydrophobicContact CG2-CG 3.88Å; K2554-L2728 HydrophobicContact CD-CD1 4.33Å; K2554-L2728 HydrophobicContact CG-CD1 4.38Å; T2586-L2728 HydrophobicContact CG2-CD2 4.38Å; Q2724-L2728 VanDerWaalsContact O-CB 3.28Å; Q2724-L2728 WeakPolarHBondContact O-CB 3.22Å; Q2724-L2728 PolarHBondContact O-N 2.84Å; A2725-L2728 PolarHBondContact O-N 3.09Å; I2726-L2728 VanDerWaalsContact C-N 3.34Å; I2726-L2728 PolarHBondContact O-N 2.91Å; L2728-T2730 VanDerWaalsContact C-N 3.33Å; L2728-N2732 VanDerWaalsContact CD1-ND2 3.31Å; L2728-N2732 WeakPolarHBondContact CD1-ND2 3.41Å; L2728-N2732 PolarHBondContact O-N 3.26Å; L2728-N2732 PolarHBondContact O-ND2 3.3Å |
| 2729 | L | 91.6 | Very high | 85.5 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 170.6 | -72 | 171.4 | 0 | 0 | 0 | 111.3 | L2583 T2586 A2587 A2725 I2726 E2727 E2731 N2732 M2733 L2781 | L2583-L2729 HydrophobicContact CD2-CD2 3.67Å; T2586-L2729 HydrophobicContact CG2-CD1 4.3Å; T2586-L2729 HydrophobicContact CG2-CD2 3.95Å; T2586-L2729 HydrophobicContact CG2-CG 3.79Å; A2587-L2729 HydrophobicContact CB-CD1 4.33Å; A2725-L2729 WeakPolarHBondContact O-CG 3.33Å; A2725-L2729 PolarHBondContact O-N 3.28Å; I2726-L2729 PolarHBondContact O-N 3.24Å; E2727-L2729 VanDerWaalsContact C-N 3.33Å; E2727-L2729 PolarHBondContact O-N 2.91Å; L2729-E2731 VanDerWaalsContact C-N 3.32Å; L2729-E2731 PolarHBondContact O-N 3.03Å; L2729-N2732 PolarHBondContact O-N 3.43Å; L2729-M2733 HydrophobicContact CD2-SD 4.3Å; L2729-M2733 WeakPolarHBondContact O-CB 3.39Å; L2729-M2733 PolarHBondContact O-N 3.26Å; L2729-L2781 HydrophobicContact CB-CD1 3.9Å; L2729-L2781 HydrophobicContact CB-CD2 4.38Å |
| 2730 | T | 90 | Very high | 86.8 | Confident | 21.5 Ų | 21.5 | 21.6 Ų | 21.6 | 13% | 0.132 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | I2726 E2727 L2728 K2780 L2781 S2784 | I2726-T2730 WeakPolarHBondContact O-CB 3.19Å; I2726-T2730 PolarHBondContact O-N 3.35Å; I2726-T2730 PolarHBondContact O-OG1 3.14Å; E2727-T2730 WeakPolarHBondContact O-CA 3.2Å; E2727-T2730 VanDerWaalsContact O-CB 3.28Å; E2727-T2730 WeakPolarHBondContact O-CB 3.4Å; E2727-T2730 PolarHBondContact O-N 3.01Å; L2728-T2730 VanDerWaalsContact C-N 3.33Å; T2730-K2780 HydrophobicContact CG2-CB 3.9Å; T2730-K2780 WeakPolarHBondContact CG2-O 3.38Å; T2730-L2781 VanDerWaalsContact OG1-CA 3.29Å; T2730-L2781 WeakPolarHBondContact OG1-CA 3.29Å; T2730-L2781 VanDerWaalsContact OG1-CB 3.29Å; T2730-L2781 WeakPolarHBondContact OG1-CB 3.45Å; T2730-L2781 PolarHBondContact OG1-N 3.35Å; T2730-S2784 WeakPolarHBondContact O-CB 3.27Å; T2730-S2784 PolarHBondContact O-OG 3.13Å |
| 2731 | E | 86.7 | Confident | 87.4 | Confident | 72.5 Ų | 72.5 | 19.6 Ų | 19.6 | 34% | 0.339 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -71.3 | -43.1 | 179.5 | -70.5 | 179.8 | 175.5 | 0 | 0 | 113 | K2554 E2727 L2729 I2735 | K2554-E2731 IonicContact NZ-OE2 2.98Å; K2554-E2731 PolarHBondContact NZ-OE2 2.91Å; E2727-E2731 PolarHBondContact O-N 3.19Å; L2729-E2731 VanDerWaalsContact C-N 3.32Å; L2729-E2731 PolarHBondContact O-N 3.03Å; E2731-I2735 WeakPolarHBondContact O-CD1 3.35Å |
| 2732 | N | 88.3 | Confident | 87.5 | Confident | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.048 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -108 | -30.2 | -163.6 | -58.5 | -73.5 | 0 | 0 | 0 | 114 | I2553 L2728 L2729 A2734 I2735 F2736 | I2553-N2732 HydrophobicContact CG2-CB 4.17Å; L2728-N2732 VanDerWaalsContact CD1-ND2 3.31Å; L2728-N2732 WeakPolarHBondContact CD1-ND2 3.41Å; L2728-N2732 PolarHBondContact O-N 3.26Å; L2728-N2732 PolarHBondContact O-ND2 3.3Å; L2729-N2732 PolarHBondContact O-N 3.43Å; N2732-A2734 PolarHBondContact O-N 3.38Å; N2732-I2735 PolarHBondContact O-N 3.01Å; N2732-F2736 HydrophobicContact CB-CD1 4.26Å; N2732-F2736 HydrophobicContact CB-CD2 4.18Å; N2732-F2736 HydrophobicContact CB-CE1 3.83Å; N2732-F2736 HydrophobicContact CB-CE2 3.74Å; N2732-F2736 HydrophobicContact CB-CG 4.43Å; N2732-F2736 HydrophobicContact CB-CZ 3.57Å; N2732-F2736 WeakPolarHBondContact O-CB 3.24Å; N2732-F2736 VanDerWaalsContact O-CD1 3.26Å; N2732-F2736 WeakPolarHBondContact O-CD1 3.4Å; N2732-F2736 WeakPolarHBondContact O-CG 3.3Å; N2732-F2736 PolarHBondContact O-N 3.06Å |
| 2733 | M | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | -166.9 | -175.8 | 170.1 | 74 | 0 | 0 | 113 | L2583 L2729 I2735 F2736 L2737 L2753 I2756 L2781 I2785 | L2583-M2733 HydrophobicContact CD1-CG 3.94Å; L2583-M2733 HydrophobicContact CD2-CB 3.99Å; L2583-M2733 HydrophobicContact CD2-CG 3.99Å; L2729-M2733 HydrophobicContact CD2-SD 4.3Å; L2729-M2733 WeakPolarHBondContact O-CB 3.39Å; L2729-M2733 PolarHBondContact O-N 3.26Å; M2733-I2735 PolarHBondContact O-N 3.34Å; M2733-F2736 PolarHBondContact O-N 2.95Å; M2733-L2737 HydrophobicContact CG-CD1 3.89Å; M2733-L2737 HydrophobicContact CG-CG 4.42Å; M2733-L2737 WeakPolarHBondContact O-CB 3.43Å; M2733-L2737 VanDerWaalsContact O-CG 3.24Å; M2733-L2737 WeakPolarHBondContact O-CG 3.28Å; M2733-L2737 PolarHBondContact O-N 3.4Å; M2733-L2753 HydrophobicContact CE-CD2 3.74Å; M2733-L2753 HydrophobicContact SD-CD2 4.1Å; M2733-I2756 HydrophobicContact SD-CD1 3.7Å; M2733-I2756 HydrophobicContact SD-CG2 4Å; M2733-L2781 HydrophobicContact CE-CD1 3.74Å; M2733-L2781 HydrophobicContact CE-CG 4.46Å; M2733-I2785 HydrophobicContact CE-CD1 3.05Å; M2733-I2785 HydrophobicContact CE-CG1 3.42Å; M2733-I2785 VanDerWaalsContact CE-CG1 3.42Å |
| 2734 | A | 88.4 | Confident | 87.2 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N2732 L2737 D2738 Y2788 | N2732-A2734 PolarHBondContact O-N 3.38Å; A2734-L2737 PolarHBondContact O-N 3.2Å; A2734-D2738 PolarHBondContact O-N 2.76Å; A2734-Y2788 HydrophobicContact CB-CD2 3.77Å; A2734-Y2788 HydrophobicContact CB-CE2 3.4Å; A2734-Y2788 VanDerWaalsContact CB-CE2 3.41Å |
| 2735 | I | 88.2 | Confident | 87.2 | Confident | 83 Ų | 83 | 34.1 Ų | 34.1 | 43% | 0.426 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 176.1 | -59.5 | 175.1 | 0 | 0 | 0 | 110.7 | E2731 N2732 M2733 L2737 D2738 L2739 | E2731-I2735 WeakPolarHBondContact O-CD1 3.35Å; N2732-I2735 PolarHBondContact O-N 3.01Å; M2733-I2735 PolarHBondContact O-N 3.34Å; I2735-L2737 PolarHBondContact O-N 3.12Å; I2735-D2738 PolarHBondContact O-N 3.17Å; I2735-L2739 HydrophobicContact CG2-CD1 3.85Å; I2735-L2739 HydrophobicContact CG2-CG 4.36Å; I2735-L2739 WeakPolarHBondContact O-CG 3.24Å; I2735-L2739 PolarHBondContact O-N 2.87Å |
| 2736 | F | 90.3 | Very high | 87 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 179.2 | -71 | 1.1 | 0 | 0 | 0 | 111.6 | I2553 F2556 L2560 L2583 N2732 M2733 D2738 L2739 V2740 | I2553-F2736 HydrophobicContact CG2-CE2 4.02Å; I2553-F2736 HydrophobicContact CG2-CZ 4.08Å; F2556-F2736 AromaticContact CD1-CD2 3.89Å; F2556-F2736 HydrophobicContact CD1-CD2 3.89Å; F2556-F2736 HydrophobicContact CD1-CE1 4.38Å; F2556-F2736 AromaticContact CD1-CE2 3.55Å; F2556-F2736 HydrophobicContact CD1-CE2 3.55Å; F2556-F2736 HydrophobicContact CD1-CG 4.44Å; F2556-F2736 AromaticContact CD1-CZ 3.8Å; F2556-F2736 HydrophobicContact CD1-CZ 3.8Å; F2556-F2736 AromaticContact CE1-CD2 3.97Å; F2556-F2736 HydrophobicContact CE1-CD2 3.97Å; F2556-F2736 HydrophobicContact CE1-CE2 4.12Å; F2556-F2736 HydrophobicContact CE1-CG 4.27Å; L2560-F2736 HydrophobicContact CD1-CB 4.32Å; L2560-F2736 HydrophobicContact CD1-CD1 3.43Å; L2560-F2736 VanDerWaalsContact CD1-CD1 3.43Å; L2560-F2736 HydrophobicContact CD1-CE1 3.83Å; L2560-F2736 HydrophobicContact CD1-CG 3.91Å; L2583-F2736 HydrophobicContact CD2-CD2 4.21Å; N2732-F2736 HydrophobicContact CB-CD1 4.26Å; N2732-F2736 HydrophobicContact CB-CD2 4.18Å; N2732-F2736 HydrophobicContact CB-CE1 3.83Å; N2732-F2736 HydrophobicContact CB-CE2 3.74Å; N2732-F2736 HydrophobicContact CB-CG 4.43Å; N2732-F2736 HydrophobicContact CB-CZ 3.57Å; N2732-F2736 WeakPolarHBondContact O-CB 3.24Å; N2732-F2736 VanDerWaalsContact O-CD1 3.26Å; N2732-F2736 WeakPolarHBondContact O-CD1 3.4Å; N2732-F2736 WeakPolarHBondContact O-CG 3.3Å; N2732-F2736 PolarHBondContact O-N 3.06Å; M2733-F2736 PolarHBondContact O-N 2.95Å; F2736-D2738 VanDerWaalsContact C-N 3.3Å; F2736-D2738 PolarHBondContact O-N 2.88Å; F2736-L2739 PolarHBondContact O-N 3.3Å; F2736-V2740 WeakPolarHBondContact O-CB 3.35Å; F2736-V2740 WeakPolarHBondContact O-CG2 3.39Å; F2736-V2740 PolarHBondContact O-N 3.1Å |
| 2737 | L | 88 | Confident | 86.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -34.6 | 178.7 | -68.7 | 172.3 | 0 | 0 | 0 | 111.9 | L2583 M2733 A2734 I2735 Y2741 V2749 F2752 L2753 | L2583-L2737 HydrophobicContact CD1-CD2 4.39Å; L2583-L2737 HydrophobicContact CD1-CG 4.49Å; M2733-L2737 HydrophobicContact CG-CD1 3.89Å; M2733-L2737 HydrophobicContact CG-CG 4.42Å; M2733-L2737 WeakPolarHBondContact O-CB 3.43Å; M2733-L2737 VanDerWaalsContact O-CG 3.24Å; M2733-L2737 WeakPolarHBondContact O-CG 3.28Å; M2733-L2737 PolarHBondContact O-N 3.4Å; A2734-L2737 PolarHBondContact O-N 3.2Å; I2735-L2737 PolarHBondContact O-N 3.12Å; L2737-Y2741 HydrophobicContact CD2-CD2 4.16Å; L2737-Y2741 HydrophobicContact CD2-CE2 3.84Å; L2737-Y2741 WeakPolarHBondContact O-CB 3.36Å; L2737-Y2741 WeakPolarHBondContact O-CD2 3.48Å; L2737-Y2741 PolarHBondContact O-N 3.2Å; L2737-V2749 HydrophobicContact CB-CG1 4.22Å; L2737-V2749 HydrophobicContact CD1-CG1 3.78Å; L2737-V2749 HydrophobicContact CD2-CG1 4.04Å; L2737-V2749 HydrophobicContact CG-CG1 4.23Å; L2737-F2752 HydrophobicContact CD2-CD1 4Å; L2737-F2752 HydrophobicContact CD2-CE1 4.11Å; L2737-L2753 HydrophobicContact CD1-CD1 4.22Å; L2737-L2753 HydrophobicContact CD1-CD2 3.81Å; L2737-L2753 HydrophobicContact CD1-CG 3.95Å |
| 2738 | D | 87 | Confident | 86.5 | Confident | 59.5 Ų | 59.5 | 47.7 Ų | 47.7 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.6 | -37.6 | 177.4 | -165.9 | 48.2 | 0 | 0 | 0 | 113 | A2734 I2735 F2736 K2746 Y2788 | A2734-D2738 PolarHBondContact O-N 2.76Å; I2735-D2738 PolarHBondContact O-N 3.17Å; F2736-D2738 VanDerWaalsContact C-N 3.3Å; F2736-D2738 PolarHBondContact O-N 2.88Å; D2738-K2746 IonicContact OD1-NZ 3.79Å; D2738-K2746 PolarHBondContact OD1-NZ 3.04Å; D2738-Y2788 HydrophobicContact CB-CD1 4.35Å; D2738-Y2788 HydrophobicContact CB-CE1 3.78Å |
| 2739 | L | 86.9 | Confident | 86.6 | Confident | 69.5 Ų | 69.5 | 47.7 Ų | 47.7 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76.6 | -36.8 | 178.9 | -68.6 | 176.5 | 0 | 0 | 0 | 113.3 | L2560 F2565 I2735 F2736 | L2560-L2739 HydrophobicContact CB-CD1 4.2Å; F2565-L2739 HydrophobicContact CE2-CD2 4.44Å; F2565-L2739 HydrophobicContact CZ-CB 4.07Å; F2565-L2739 HydrophobicContact CZ-CD2 4.45Å; I2735-L2739 HydrophobicContact CG2-CD1 3.85Å; I2735-L2739 HydrophobicContact CG2-CG 4.36Å; I2735-L2739 WeakPolarHBondContact O-CG 3.24Å; I2735-L2739 PolarHBondContact O-N 2.87Å; F2736-L2739 PolarHBondContact O-N 3.3Å |
| 2740 | V | 86.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -86.4 | -22.8 | -173.6 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | F2556 L2560 Q2572 L2575 Q2576 C2579 F2736 | F2556-V2740 HydrophobicContact CZ-CG2 4.48Å; L2560-V2740 HydrophobicContact CD1-CG2 4.15Å; L2560-V2740 HydrophobicContact CD2-CG2 3.8Å; Q2572-V2740 VanDerWaalsContact NE2-C 3.35Å; Q2572-V2740 PolarHBondContact NE2-O 3.3Å; L2575-V2740 HydrophobicContact CD2-CG1 4.41Å; L2575-V2740 HydrophobicContact CD2-CG2 4.15Å; L2575-V2740 HydrophobicContact CG-CG1 4.03Å; L2575-V2740 HydrophobicContact CG-CG2 4.11Å; Q2576-V2740 HydrophobicContact CB-CG1 4.16Å; Q2576-V2740 HydrophobicContact CG-CG1 3.49Å; Q2576-V2740 VanDerWaalsContact CG-CG1 3.46Å; Q2576-V2740 PolarHBondContact NE2-O 3.38Å; C2579-V2740 HydrophobicContact CB-CG1 4.25Å; C2579-V2740 HydrophobicContact CB-CG2 4.37Å; F2736-V2740 WeakPolarHBondContact O-CB 3.35Å; F2736-V2740 WeakPolarHBondContact O-CG2 3.39Å; F2736-V2740 PolarHBondContact O-N 3.1Å |
| 2741 | Y | 85.9 | Confident | 86.4 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -101.6 | 122.6 | 175.7 | -78.6 | -94.5 | 0 | 0 | 0 | 112.1 | Q2576 H2580 L2737 E2745 R2748 V2749 | Q2576-Y2741 HydrophobicContact CG-CE2 4.38Å; H2580-Y2741 AromaticContact CE1-CZ 3.94Å; H2580-Y2741 PolarHBondContact CE1-OH 3.17Å; H2580-Y2741 AromaticContact NE2-CE2 3.54Å; H2580-Y2741 AromaticContact NE2-CZ 3.5Å; H2580-Y2741 PolarHBondContact NE2-OH 2.93Å; L2737-Y2741 HydrophobicContact CD2-CD2 4.16Å; L2737-Y2741 HydrophobicContact CD2-CE2 3.84Å; L2737-Y2741 WeakPolarHBondContact O-CB 3.36Å; L2737-Y2741 WeakPolarHBondContact O-CD2 3.48Å; L2737-Y2741 PolarHBondContact O-N 3.2Å; Y2741-E2745 HydrophobicContact CD1-CB 3.91Å; Y2741-R2748 HydrophobicContact CE1-CB 4.08Å; Y2741-V2749 HydrophobicContact CD1-CG2 3.59Å; Y2741-V2749 HydrophobicContact CD2-CG2 3.52Å; Y2741-V2749 VanDerWaalsContact CD2-CG2 3.5Å; Y2741-V2749 HydrophobicContact CE1-CG2 3.78Å; Y2741-V2749 HydrophobicContact CE2-CG2 3.7Å; Y2741-V2749 HydrophobicContact CG-CG2 3.41Å; Y2741-V2749 VanDerWaalsContact CG-CG2 3.41Å |
| 2742 | K | 81.8 | Confident | 86.5 | Confident | 66 Ų | 66 | 48.6 Ų | 48.6 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | trans | -66.3 | 156.7 | 167.5 | -74.4 | -178.7 | -175.6 | 177.7 | 0 | 110.3 | D2567 Q2572 D2744 E2745 K2746 | D2567-K2742 IonicContact OD1-NZ 2.85Å; D2567-K2742 PolarHBondContact OD1-NZ 3.45Å; D2567-K2742 VanDerWaalsContact OD1-NZ 3.14Å; Q2572-K2742 VanDerWaalsContact NE2-CG 3.32Å; K2742-D2744 WeakPolarHBondContact CB-OD1 3.36Å; K2742-D2744 PolarHBondContact O-N 3.3Å; K2742-D2744 VanDerWaalsContact O-N 3.13Å; K2742-E2745 PolarHBondContact O-N 3.12Å; K2742-K2746 WeakPolarHBondContact O-CG 3.4Å; K2742-K2746 PolarHBondContact O-N 3.05Å | ||
| 2743 | S | 81.3 | Confident | 86.7 | Confident | 105 Ų | 105 | 48.2 Ų | 48.2 | 73% | 0.734 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.4 | -175.4 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 2744 | D | 81.5 | Confident | 86.7 | Confident | 116 Ų | 116 | 51.4 Ų | 51.4 | 62% | 0.62 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -16 | 179.4 | 61 | -48 | 0 | 0 | 0 | 113.9 | K2742 | K2742-D2744 WeakPolarHBondContact CB-OD1 3.36Å; K2742-D2744 PolarHBondContact O-N 3.3Å; K2742-D2744 VanDerWaalsContact O-N 3.13Å |
| 2745 | E | 83.6 | Confident | 86.7 | Confident | 40.5 Ų | 40.5 | 55.4 Ų | 55.4 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -0.9 | -179.2 | -61.2 | -163.3 | 128.4 | 0 | 0 | 113.8 | Q2576 Y2741 K2742 D2747 R2748 | Q2576-E2745 PolarHBondContact NE2-OE2 2.87Å; Y2741-E2745 HydrophobicContact CD1-CB 3.91Å; K2742-E2745 PolarHBondContact O-N 3.12Å; E2745-D2747 PolarHBondContact O-N 2.78Å; E2745-D2747 VanDerWaalsContact O-N 3.07Å; E2745-R2748 WeakPolarHBondContact O-CB 3.3Å; E2745-R2748 PolarHBondContact O-N 3.27Å; E2745-R2748 IonicContact OE1-CZ 3.07Å; E2745-R2748 IonicContact OE1-NH1 2.91Å; E2745-R2748 PolarHBondContact OE1-NH1 3.45Å; E2745-R2748 IonicContact OE1-NH2 3.39Å |
| 2746 | K | 84.3 | Confident | 86.8 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -23.1 | -174.8 | -69.7 | -170.6 | 169.4 | -166.1 | 0 | 114 | D2738 K2742 R2748 V2749 Y2790 | D2738-K2746 IonicContact OD1-NZ 3.79Å; D2738-K2746 PolarHBondContact OD1-NZ 3.04Å; K2742-K2746 WeakPolarHBondContact O-CG 3.4Å; K2742-K2746 PolarHBondContact O-N 3.05Å; K2746-R2748 PolarHBondContact O-N 3.04Å; K2746-V2749 VanDerWaalsContact O-CB 3.31Å; K2746-V2749 WeakPolarHBondContact O-CB 3.3Å; K2746-V2749 WeakPolarHBondContact O-CG2 3.43Å; K2746-V2749 PolarHBondContact O-N 3.16Å; K2746-Y2790 HydrophobicContact CB-CD2 4.26Å; K2746-Y2790 HydrophobicContact CB-CG 4.1Å; K2746-Y2790 HydrophobicContact CD-CD1 3.73Å; K2746-Y2790 HydrophobicContact CD-CE1 3.95Å; K2746-Y2790 HydrophobicContact CD-CG 4.07Å; K2746-Y2790 HydrophobicContact CG-CG 4.45Å |
| 2747 | D | 83 | Confident | 86.9 | Confident | 143 Ų | 143 | 51.4 Ų | 51.4 | 77% | 0.765 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.9 | -28.8 | 174.7 | -69.6 | -33.1 | 0 | 0 | 0 | 113.4 | E2745 V2749 | E2745-D2747 PolarHBondContact O-N 2.78Å; E2745-D2747 VanDerWaalsContact O-N 3.07Å; D2747-V2749 VanDerWaalsContact C-N 3.32Å |
| 2748 | R | 85.8 | Confident | 86.9 | Confident | 149.5 Ų | 149.5 | 54.7 Ų | 54.7 | 56% | 0.564 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -74 | -24.7 | 178.8 | -63 | -174.9 | -173.1 | 148.9 | 9.2 | 112.5 | Y2741 E2745 K2746 S2750 T2751 F2752 | Y2741-R2748 HydrophobicContact CE1-CB 4.08Å; E2745-R2748 WeakPolarHBondContact O-CB 3.3Å; E2745-R2748 PolarHBondContact O-N 3.27Å; E2745-R2748 IonicContact OE1-CZ 3.07Å; E2745-R2748 IonicContact OE1-NH1 2.91Å; E2745-R2748 PolarHBondContact OE1-NH1 3.45Å; E2745-R2748 IonicContact OE1-NH2 3.39Å; K2746-R2748 PolarHBondContact O-N 3.04Å; R2748-S2750 PolarHBondContact O-N 3.17Å; R2748-T2751 PolarHBondContact O-N 3.14Å; R2748-F2752 PolarHBondContact O-N 3.41Å |
| 2749 | V | 88.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -35.6 | -179.8 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | L2737 Y2741 K2746 D2747 T2751 F2752 L2753 Y2790 | L2737-V2749 HydrophobicContact CB-CG1 4.22Å; L2737-V2749 HydrophobicContact CD1-CG1 3.78Å; L2737-V2749 HydrophobicContact CD2-CG1 4.04Å; L2737-V2749 HydrophobicContact CG-CG1 4.23Å; Y2741-V2749 HydrophobicContact CD1-CG2 3.59Å; Y2741-V2749 HydrophobicContact CD2-CG2 3.52Å; Y2741-V2749 VanDerWaalsContact CD2-CG2 3.5Å; Y2741-V2749 HydrophobicContact CE1-CG2 3.78Å; Y2741-V2749 HydrophobicContact CE2-CG2 3.7Å; Y2741-V2749 HydrophobicContact CG-CG2 3.41Å; Y2741-V2749 VanDerWaalsContact CG-CG2 3.41Å; K2746-V2749 VanDerWaalsContact O-CB 3.31Å; K2746-V2749 WeakPolarHBondContact O-CB 3.3Å; K2746-V2749 WeakPolarHBondContact O-CG2 3.43Å; K2746-V2749 PolarHBondContact O-N 3.16Å; D2747-V2749 VanDerWaalsContact C-N 3.32Å; V2749-T2751 PolarHBondContact O-N 3.29Å; V2749-F2752 PolarHBondContact O-N 3.33Å; V2749-L2753 HydrophobicContact CG1-CD1 3.78Å; V2749-L2753 HydrophobicContact CG1-CG 4.1Å; V2749-L2753 WeakPolarHBondContact O-CB 3.33Å; V2749-L2753 WeakPolarHBondContact O-CG 3.42Å; V2749-L2753 PolarHBondContact O-N 3.28Å; V2749-Y2790 HydrophobicContact CB-CD2 4.2Å; V2749-Y2790 HydrophobicContact CB-CE2 4.24Å; V2749-Y2790 HydrophobicContact CG1-CD2 4.24Å; V2749-Y2790 HydrophobicContact CG1-CE2 3.91Å; V2749-Y2790 HydrophobicContact CG2-CD2 4.44Å; V2749-Y2790 HydrophobicContact CG2-CE2 4.28Å |
| 2750 | S | 88.5 | Confident | 87.1 | Confident | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | -178 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | R2748 L2753 N2754 K2793 S2794 | R2748-S2750 PolarHBondContact O-N 3.17Å; S2750-L2753 PolarHBondContact O-N 3.01Å; S2750-N2754 VanDerWaalsContact O-CG 3.29Å; S2750-N2754 PolarHBondContact O-N 3.09Å; S2750-N2754 VanDerWaalsContact O-N 3.08Å; S2750-N2754 PolarHBondContact O-ND2 3.13Å; S2750-N2754 VanDerWaalsContact O-ND2 3.12Å; S2750-K2793 WeakPolarHBondContact OG-CB 3.41Å; S2750-S2794 VanDerWaalsContact C-OG 3.25Å; S2750-S2794 WeakPolarHBondContact CA-OG 3.42Å; S2750-S2794 WeakPolarHBondContact CB-OG 3.43Å; S2750-S2794 PolarHBondContact O-OG 3.26Å; S2750-S2794 PolarHBondContact OG-OG 3.2Å |
| 2751 | T | 88.1 | Confident | 87.4 | Confident | 97 Ų | 97 | 50.3 Ų | 50.3 | 60% | 0.595 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | R2748 V2749 N2754 | R2748-T2751 PolarHBondContact O-N 3.14Å; V2749-T2751 PolarHBondContact O-N 3.29Å; T2751-N2754 WeakPolarHBondContact O-CB 3.24Å; T2751-N2754 PolarHBondContact O-N 3.18Å |
| 2752 | F | 90.1 | Very high | 87.5 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 176.4 | 174.4 | -107.5 | 0 | 0 | 0 | 112 | H2580 L2583 E2584 L2737 R2748 V2749 N2754 N2755 I2756 | H2580-F2752 HydrophobicContact CB-CD2 4.14Å; H2580-F2752 HydrophobicContact CB-CE2 3.5Å; H2580-F2752 VanDerWaalsContact CB-CE2 3.49Å; H2580-F2752 HydrophobicContact CB-CZ 3.9Å; H2580-F2752 AromaticContact CD2-CD1 3.77Å; H2580-F2752 AromaticContact CD2-CD2 3.68Å; H2580-F2752 AromaticContact CD2-CE1 3.67Å; H2580-F2752 AromaticContact CD2-CE2 3.58Å; H2580-F2752 AromaticContact CD2-CG 3.77Å; H2580-F2752 AromaticContact CD2-CZ 3.58Å; H2580-F2752 AromaticContact CG-CD2 3.71Å; H2580-F2752 AromaticContact CG-CE2 3.52Å; H2580-F2752 AromaticContact CG-CZ 3.91Å; H2580-F2752 AromaticContact NE2-CD1 3.97Å; H2580-F2752 AromaticContact NE2-CG 3.85Å; L2583-F2752 HydrophobicContact CB-CE1 4.3Å; L2583-F2752 HydrophobicContact CB-CZ 3.94Å; L2583-F2752 HydrophobicContact CD1-CE1 3.88Å; L2583-F2752 HydrophobicContact CD1-CZ 4.25Å; E2584-F2752 HydrophobicContact CG-CE2 3.69Å; E2584-F2752 HydrophobicContact CG-CZ 4.17Å; L2737-F2752 HydrophobicContact CD2-CD1 4Å; L2737-F2752 HydrophobicContact CD2-CE1 4.11Å; R2748-F2752 PolarHBondContact O-N 3.41Å; V2749-F2752 PolarHBondContact O-N 3.33Å; F2752-N2754 PolarHBondContact O-N 3.35Å; F2752-N2755 WeakPolarHBondContact O-CB 3.29Å; F2752-N2755 PolarHBondContact O-N 3.15Å; F2752-I2756 HydrophobicContact CD1-CD1 4.29Å; F2752-I2756 HydrophobicContact CE1-CD1 3.41Å; F2752-I2756 VanDerWaalsContact CE1-CD1 3.41Å; F2752-I2756 HydrophobicContact CE1-CG1 4.38Å; F2752-I2756 HydrophobicContact CE2-CD1 4.36Å; F2752-I2756 HydrophobicContact CZ-CD1 3.45Å; F2752-I2756 VanDerWaalsContact CZ-CD1 3.45Å; F2752-I2756 HydrophobicContact CZ-CG1 4.19Å; F2752-I2756 PolarHBondContact O-N 3.29Å |
| 2753 | L | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -35.8 | 177.1 | -86.5 | 172.3 | 0 | 0 | 0 | 112.5 | M2733 L2737 V2749 S2750 N2755 I2756 L2757 I2785 T2791 | M2733-L2753 HydrophobicContact CE-CD2 3.74Å; M2733-L2753 HydrophobicContact SD-CD2 4.1Å; L2737-L2753 HydrophobicContact CD1-CD1 4.22Å; L2737-L2753 HydrophobicContact CD1-CD2 3.81Å; L2737-L2753 HydrophobicContact CD1-CG 3.95Å; V2749-L2753 HydrophobicContact CG1-CD1 3.78Å; V2749-L2753 HydrophobicContact CG1-CG 4.1Å; V2749-L2753 WeakPolarHBondContact O-CB 3.33Å; V2749-L2753 WeakPolarHBondContact O-CG 3.42Å; V2749-L2753 PolarHBondContact O-N 3.28Å; S2750-L2753 PolarHBondContact O-N 3.01Å; L2753-N2755 PolarHBondContact O-N 2.93Å; L2753-I2756 PolarHBondContact O-N 3.44Å; L2753-I2756 VanDerWaalsContact O-N 3.13Å; L2753-L2757 HydrophobicContact CB-CD1 4.47Å; L2753-L2757 HydrophobicContact CD2-CD1 4.49Å; L2753-L2757 HydrophobicContact CD2-CG 4.43Å; L2753-L2757 VanDerWaalsContact O-CB 3.31Å; L2753-L2757 WeakPolarHBondContact O-CB 3.46Å; L2753-L2757 VanDerWaalsContact O-CG 3.25Å; L2753-L2757 WeakPolarHBondContact O-CG 3.29Å; L2753-L2757 PolarHBondContact O-N 3.24Å; L2753-I2785 HydrophobicContact CD1-CG2 4.09Å; L2753-I2785 HydrophobicContact CD2-CD1 4.22Å; L2753-I2785 HydrophobicContact CD2-CG2 4.19Å; L2753-T2791 HydrophobicContact CD1-CG2 3.6Å |
| 2754 | N | 90.3 | Very high | 88.4 | Confident | 67.5 Ų | 67.5 | 42.1 Ų | 42.1 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60 | -34 | 176.3 | -72.7 | -34.4 | 0 | 0 | 0 | 112.6 | S2750 T2751 F2752 I2756 C2758 S2794 | S2750-N2754 VanDerWaalsContact O-CG 3.29Å; S2750-N2754 PolarHBondContact O-N 3.09Å; S2750-N2754 VanDerWaalsContact O-N 3.08Å; S2750-N2754 PolarHBondContact O-ND2 3.13Å; S2750-N2754 VanDerWaalsContact O-ND2 3.12Å; T2751-N2754 WeakPolarHBondContact O-CB 3.24Å; T2751-N2754 PolarHBondContact O-N 3.18Å; F2752-N2754 PolarHBondContact O-N 3.35Å; N2754-I2756 VanDerWaalsContact C-N 3.35Å; N2754-C2758 WeakPolarHBondContact O-CB 3.37Å; N2754-C2758 PolarHBondContact O-N 3.21Å; N2754-C2758 VanDerWaalsContact O-N 3.09Å; N2754-S2794 WeakPolarHBondContact OD1-CA 3.32Å; N2754-S2794 WeakPolarHBondContact OD1-CB 3.29Å; N2754-S2794 PolarHBondContact OD1-O 3.24Å |
| 2755 | N | 88.8 | Confident | 88.7 | Confident | 87.5 Ų | 87.5 | 42 Ų | 42 | 47% | 0.468 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.7 | -30.9 | 177.2 | -64 | -14.9 | 0 | 0 | 0 | 112.4 | F2752 L2753 C2758 | F2752-N2755 WeakPolarHBondContact O-CB 3.29Å; F2752-N2755 PolarHBondContact O-N 3.15Å; L2753-N2755 PolarHBondContact O-N 2.93Å; N2755-C2758 PolarHBondContact O-SG 3.27Å |
| 2756 | I | 90.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79.8 | -48.6 | 175.2 | -66.7 | 178.3 | 0 | 0 | 0 | 110 | L2583 A2587 M2733 F2752 L2753 N2754 C2758 N2759 | L2583-I2756 HydrophobicContact CB-CD1 3.77Å; A2587-I2756 HydrophobicContact CB-CB 4.36Å; A2587-I2756 HydrophobicContact CB-CG1 4.14Å; A2587-I2756 HydrophobicContact CB-CG2 3.89Å; M2733-I2756 HydrophobicContact SD-CD1 3.7Å; M2733-I2756 HydrophobicContact SD-CG2 4Å; F2752-I2756 HydrophobicContact CD1-CD1 4.29Å; F2752-I2756 HydrophobicContact CE1-CD1 3.41Å; F2752-I2756 VanDerWaalsContact CE1-CD1 3.41Å; F2752-I2756 HydrophobicContact CE1-CG1 4.38Å; F2752-I2756 HydrophobicContact CE2-CD1 4.36Å; F2752-I2756 HydrophobicContact CZ-CD1 3.45Å; F2752-I2756 VanDerWaalsContact CZ-CD1 3.45Å; F2752-I2756 HydrophobicContact CZ-CG1 4.19Å; F2752-I2756 PolarHBondContact O-N 3.29Å; L2753-I2756 PolarHBondContact O-N 3.44Å; L2753-I2756 VanDerWaalsContact O-N 3.13Å; N2754-I2756 VanDerWaalsContact C-N 3.35Å; I2756-C2758 VanDerWaalsContact C-N 3.26Å; I2756-C2758 PolarHBondContact O-N 3.08Å; I2756-N2759 WeakPolarHBondContact O-CB 3.36Å; I2756-N2759 PolarHBondContact O-N 3.25Å |
| 2757 | L | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -24.8 | -173.8 | -68.7 | -179.4 | 0 | 0 | 0 | 113 | L2753 N2759 I2760 F2761 I2782 I2785 W2795 | L2753-L2757 HydrophobicContact CB-CD1 4.47Å; L2753-L2757 HydrophobicContact CD2-CD1 4.49Å; L2753-L2757 HydrophobicContact CD2-CG 4.43Å; L2753-L2757 VanDerWaalsContact O-CB 3.31Å; L2753-L2757 WeakPolarHBondContact O-CB 3.46Å; L2753-L2757 VanDerWaalsContact O-CG 3.25Å; L2753-L2757 WeakPolarHBondContact O-CG 3.29Å; L2753-L2757 PolarHBondContact O-N 3.24Å; L2757-N2759 PolarHBondContact O-N 3.25Å; L2757-I2760 HydrophobicContact CD2-CB 4.44Å; L2757-I2760 PolarHBondContact O-N 3.31Å; L2757-F2761 HydrophobicContact CB-CD2 4.03Å; L2757-F2761 HydrophobicContact CB-CE2 3.71Å; L2757-F2761 HydrophobicContact CD1-CE2 4.26Å; L2757-F2761 HydrophobicContact CG-CE2 4.48Å; L2757-F2761 WeakPolarHBondContact O-CD2 3.26Å; L2757-F2761 PolarHBondContact O-N 3.32Å; L2757-I2782 HydrophobicContact CD2-CD1 3.53Å; L2757-I2785 HydrophobicContact CD2-CD1 3.88Å; L2757-W2795 HydrophobicContact CD1-CB 4.11Å |
| 2758 | C | 88.8 | Confident | 88.7 | Confident | 71 Ų | 71 | 36 Ų | 36 | 48% | 0.48 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.9 | 172.6 | 74.3 | 0 | 0 | 0 | 0 | 112.7 | N2754 N2755 I2756 P2762 | N2754-C2758 WeakPolarHBondContact O-CB 3.37Å; N2754-C2758 PolarHBondContact O-N 3.21Å; N2754-C2758 VanDerWaalsContact O-N 3.09Å; N2755-C2758 PolarHBondContact O-SG 3.27Å; I2756-C2758 VanDerWaalsContact C-N 3.26Å; I2756-C2758 PolarHBondContact O-N 3.08Å; C2758-P2762 VanDerWaalsContact O-CD 3.26Å; C2758-P2762 WeakPolarHBondContact O-CD 3.49Å |
| 2759 | N | 87.1 | Confident | 88.3 | Confident | 29.5 Ų | 29.5 | 34.9 Ų | 34.9 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -11.2 | 173.3 | -61.3 | -31 | 0 | 0 | 0 | 113.2 | A2591 L2594 L2604 I2756 L2757 Y2763 | A2591-N2759 HydrophobicContact CB-CB 3.94Å; L2594-N2759 VanDerWaalsContact CD1-O 3.23Å; L2594-N2759 WeakPolarHBondContact CD1-O 3.23Å; L2604-N2759 VanDerWaalsContact CD1-OD1 3.31Å; L2604-N2759 WeakPolarHBondContact CD1-OD1 3.37Å; I2756-N2759 WeakPolarHBondContact O-CB 3.36Å; I2756-N2759 PolarHBondContact O-N 3.25Å; L2757-N2759 PolarHBondContact O-N 3.25Å; N2759-Y2763 WeakPolarHBondContact O-CE2 3.03Å |
| 2760 | I | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -42.2 | -177.2 | -59.6 | -60.5 | 0 | 0 | 0 | 111.7 | A2590 I2726 L2757 P2762 Y2763 A2778 L2781 I2782 | A2590-I2760 HydrophobicContact CB-CD1 4.44Å; I2726-I2760 HydrophobicContact CD1-CD1 4.4Å; I2726-I2760 HydrophobicContact CG1-CD1 4.06Å; I2726-I2760 HydrophobicContact CG2-CD1 4.35Å; L2757-I2760 HydrophobicContact CD2-CB 4.44Å; L2757-I2760 PolarHBondContact O-N 3.31Å; I2760-P2762 VanDerWaalsContact C-N 3.31Å; I2760-Y2763 WeakPolarHBondContact O-CB 3.35Å; I2760-Y2763 PolarHBondContact O-N 3.17Å; I2760-A2778 HydrophobicContact CG2-CB 3.78Å; I2760-L2781 HydrophobicContact CB-CD2 4.48Å; I2760-L2781 HydrophobicContact CD1-CD2 3.74Å; I2760-L2781 HydrophobicContact CG1-CD2 3.69Å; I2760-L2781 HydrophobicContact CG2-CD2 4.04Å; I2760-I2782 HydrophobicContact CG2-CD1 4.48Å |
| 2761 | F | 91.9 | Very high | 87.6 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.6 | -32.4 | -179.2 | -78 | -61.6 | 0 | 0 | 0 | 115.7 | L2757 Y2763 L2764 R2765 I2782 W2795 D2798 V2799 L2802 | L2757-F2761 HydrophobicContact CB-CD2 4.03Å; L2757-F2761 HydrophobicContact CB-CE2 3.71Å; L2757-F2761 HydrophobicContact CD1-CE2 4.26Å; L2757-F2761 HydrophobicContact CG-CE2 4.48Å; L2757-F2761 WeakPolarHBondContact O-CD2 3.26Å; L2757-F2761 PolarHBondContact O-N 3.32Å; F2761-Y2763 PolarHBondContact O-N 2.95Å; F2761-L2764 HydrophobicContact CD1-CD1 4.01Å; F2761-L2764 HydrophobicContact CE1-CD1 4.23Å; F2761-L2764 PolarHBondContact O-N 3.22Å; F2761-R2765 PolarHBondContact O-N 3.38Å; F2761-R2765 VanDerWaalsContact O-N 3.11Å; F2761-I2782 HydrophobicContact CE1-CD1 4.49Å; F2761-I2782 HydrophobicContact CZ-CD1 4.42Å; F2761-W2795 HydrophobicContact CZ-CB 4.06Å; F2761-D2798 HydrophobicContact CD1-CB 3.74Å; F2761-D2798 HydrophobicContact CD2-CB 4.08Å; F2761-D2798 HydrophobicContact CE1-CB 3.36Å; F2761-D2798 HydrophobicContact CE2-CB 3.71Å; F2761-D2798 HydrophobicContact CG-CB 4.11Å; F2761-D2798 HydrophobicContact CZ-CB 3.36Å; F2761-V2799 HydrophobicContact CE1-CG2 4.35Å; F2761-L2802 HydrophobicContact CD1-CD1 4.28Å; F2761-L2802 HydrophobicContact CE1-CD1 4.45Å |
| 2762 | P | 89.5 | Confident | 87.4 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.2 | -38.4 | 172.6 | -29.5 | 38.2 | 0 | 0 | 0 | 113.4 | L2594 L2604 C2758 I2760 L2764 R2765 | L2594-P2762 HydrophobicContact CD1-CB 4.11Å; L2594-P2762 HydrophobicContact CD1-CG 4.04Å; L2594-P2762 HydrophobicContact CD2-CB 3.87Å; L2604-P2762 HydrophobicContact CB-CG 4Å; L2604-P2762 WeakPolarHBondContact O-CB 3.21Å; L2604-P2762 WeakPolarHBondContact O-CG 3.32Å; C2758-P2762 VanDerWaalsContact O-CD 3.26Å; C2758-P2762 WeakPolarHBondContact O-CD 3.49Å; I2760-P2762 VanDerWaalsContact C-N 3.31Å; P2762-L2764 VanDerWaalsContact C-N 3.29Å; P2762-L2764 PolarHBondContact O-N 3.14Å; P2762-R2765 PolarHBondContact O-N 3.05Å |
| 2763 | Y | 90 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.7 | -26.3 | 176.1 | -62.1 | -64.8 | 0 | 0 | 0 | 112.9 | A2590 A2593 L2594 V2606 I2726 N2759 I2760 F2761 N2771 H2774 F2775 | A2590-Y2763 PolarHBondContact O-OH 2.92Å; A2593-Y2763 WeakPolarHBondContact CB-OH 3.37Å; L2594-Y2763 HydrophobicContact CD1-CE2 4.02Å; L2594-Y2763 HydrophobicContact CD2-CD1 4.06Å; L2594-Y2763 HydrophobicContact CD2-CD2 4.4Å; L2594-Y2763 HydrophobicContact CD2-CE1 3.51Å; L2594-Y2763 VanDerWaalsContact CD2-CE1 3.45Å; L2594-Y2763 HydrophobicContact CD2-CE2 3.87Å; L2594-Y2763 HydrophobicContact CD2-CG 4.45Å; L2594-Y2763 VanDerWaalsContact CD2-CZ 3.41Å; L2594-Y2763 HydrophobicContact CG-CE1 4.28Å; L2594-Y2763 HydrophobicContact CG-CE2 4Å; L2594-Y2763 WeakPolarHBondContact CG-OH 3.06Å; V2606-Y2763 HydrophobicContact CG1-CD1 4.49Å; V2606-Y2763 HydrophobicContact CG1-CE1 4.43Å; V2606-Y2763 HydrophobicContact CG2-CD1 3.74Å; V2606-Y2763 HydrophobicContact CG2-CE1 4.17Å; I2726-Y2763 HydrophobicContact CD1-CD2 4.14Å; I2726-Y2763 HydrophobicContact CD1-CE2 4.08Å; N2759-Y2763 WeakPolarHBondContact O-CE2 3.03Å; I2760-Y2763 WeakPolarHBondContact O-CB 3.35Å; I2760-Y2763 PolarHBondContact O-N 3.17Å; F2761-Y2763 PolarHBondContact O-N 2.95Å; Y2763-N2771 WeakPolarHBondContact CD1-OD1 3.42Å; Y2763-N2771 PolarHBondContact O-ND2 3.17Å; Y2763-H2774 HydrophobicContact CD1-CB 3.61Å; Y2763-H2774 AromaticContact CD1-CG 3.99Å; Y2763-H2774 HydrophobicContact CE1-CB 4.12Å; Y2763-H2774 AromaticContact CE1-CD2 3.84Å; Y2763-H2774 AromaticContact CE1-CG 3.98Å; Y2763-H2774 HydrophobicContact CG-CB 4.04Å; Y2763-F2775 WeakPolarHBondContact O-CD2 3.44Å |
| 2764 | L | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -84.9 | -21.6 | 178.7 | -64.5 | 175.4 | 0 | 0 | 0 | 113.4 | F2761 P2762 R2767 F2775 A2778 S2779 I2782 L2802 | F2761-L2764 HydrophobicContact CD1-CD1 4.01Å; F2761-L2764 HydrophobicContact CE1-CD1 4.23Å; F2761-L2764 PolarHBondContact O-N 3.22Å; P2762-L2764 VanDerWaalsContact C-N 3.29Å; P2762-L2764 PolarHBondContact O-N 3.14Å; L2764-R2767 PolarHBondContact O-NE 3.41Å; L2764-F2775 HydrophobicContact CB-CE2 4.39Å; L2764-F2775 HydrophobicContact CD2-CD2 3.99Å; L2764-F2775 HydrophobicContact CD2-CE2 3.94Å; L2764-F2775 HydrophobicContact CD2-CG 4.4Å; L2764-F2775 HydrophobicContact CD2-CZ 4.34Å; L2764-F2775 VanDerWaalsContact O-CE2 3.29Å; L2764-F2775 WeakPolarHBondContact O-CE2 3.36Å; L2764-A2778 HydrophobicContact CD2-CB 3.74Å; L2764-A2778 HydrophobicContact CG-CB 4Å; L2764-S2779 WeakPolarHBondContact CD2-OG 3.2Å; L2764-I2782 HydrophobicContact CD1-CD1 4.47Å; L2764-I2782 HydrophobicContact CD1-CG1 3.7Å; L2764-L2802 HydrophobicContact CB-CD1 3.78Å; L2764-L2802 HydrophobicContact CD1-CD1 4.27Å |
| 2765 | R | 88.8 | Confident | 86.9 | Confident | 112.5 Ų | 112.5 | 35.6 Ų | 35.6 | 43% | 0.425 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -82.6 | -27.9 | 179.4 | -72 | 179.4 | 177 | 122.2 | 4.7 | 113.3 | F2761 P2762 D2798 L2802 | F2761-R2765 PolarHBondContact O-N 3.38Å; F2761-R2765 VanDerWaalsContact O-N 3.11Å; P2762-R2765 PolarHBondContact O-N 3.05Å; R2765-D2798 IonicContact CZ-OD1 3.26Å; R2765-D2798 IonicContact NH2-OD1 3.19Å; R2765-D2798 PolarHBondContact NH2-OD1 3.19Å; R2765-L2802 HydrophobicContact CG-CD2 3.96Å |
| 2766 | V | 86 | Confident | 87 | Confident | 36 Ų | 36 | 31.8 Ų | 31.8 | 22% | 0.218 | 17% | 0.169 | C | C | . | . | trans | -93.6 | 117 | -176 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | V2606 T2768 N2771 | V2606-V2766 HydrophobicContact CB-CG2 4.38Å; V2606-V2766 HydrophobicContact CG2-CB 4.12Å; V2606-V2766 HydrophobicContact CG2-CG2 3.94Å; V2766-T2768 HydrophobicContact CG1-CG2 3.74Å; V2766-T2768 PolarHBondContact O-N 3.27Å; V2766-N2771 HydrophobicContact CG1-CB 4.37Å; V2766-N2771 PolarHBondContact O-ND2 2.9Å | ||
| 2767 | R | 84 | Confident | 86.9 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | trans | -101 | 62.5 | 179.4 | -53.4 | -54.7 | -174.4 | 105.5 | 2.1 | 112.1 | L2764 F2775 I2807 F2808 Q2810 | L2764-R2767 PolarHBondContact O-NE 3.41Å; R2767-F2775 VanDerWaalsContact CZ-CZ 3.41Å; R2767-F2775 VanDerWaalsContact NE-CE2 3.27Å; R2767-I2807 HydrophobicContact CB-CD1 4.2Å; R2767-I2807 HydrophobicContact CG-CD1 3.61Å; R2767-I2807 HydrophobicContact CG-CG1 4.11Å; R2767-F2808 PolarHBondContact NH1-O 2.88Å; R2767-F2808 PolarHBondContact NH2-O 3.5Å; R2767-Q2810 HydrophobicContact CB-CB 4.44Å; R2767-Q2810 PolarHBondContact NH1-O 3.37Å | ||
| 2768 | T | 81 | Confident | 86.9 | Confident | 46 Ų | 46 | 31.8 Ų | 31.8 | 28% | 0.282 | 17% | 0.169 | S | C | . | . | trans | -111.4 | 156.1 | 177.3 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | V2766 N2770 N2771 S2772 | V2766-T2768 HydrophobicContact CG1-CG2 3.74Å; V2766-T2768 PolarHBondContact O-N 3.27Å; T2768-N2770 VanDerWaalsContact C-N 3.33Å; T2768-N2770 PolarHBondContact O-N 3.44Å; T2768-N2771 CarbonylContact O-C 3.49Å; T2768-N2771 PolarHBondContact O-N 2.94Å; T2768-N2771 VanDerWaalsContact O-N 3.1Å; T2768-N2771 VanDerWaalsContact OG1-CB 3.3Å; T2768-N2771 WeakPolarHBondContact OG1-CB 3.43Å; T2768-S2772 PolarHBondContact O-N 3.01Å | ||
| 2769 | L | 76 | Confident | 87.2 | Confident | 125 Ų | 125 | 28.4 Ų | 28.4 | 65% | 0.654 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -61.8 | -41.7 | -179.5 | -174.4 | 62.5 | 0 | 0 | 0 | 112.1 | N2771 S2772 | L2769-N2771 PolarHBondContact O-N 3.18Å; L2769-S2772 VanDerWaalsContact O-CB 3.22Å; L2769-S2772 WeakPolarHBondContact O-CB 3.42Å; L2769-S2772 PolarHBondContact O-N 3.11Å; L2769-S2772 VanDerWaalsContact O-N 3.13Å |
| 2770 | N | 77.5 | Confident | 87.5 | Confident | 123 Ų | 123 | 30.8 Ų | 30.8 | 66% | 0.658 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.3 | 177.5 | -59.8 | 54.3 | 0 | 0 | 0 | 113.1 | T2768 | T2768-N2770 VanDerWaalsContact C-N 3.33Å; T2768-N2770 PolarHBondContact O-N 3.44Å |
| 2771 | N | 86 | Confident | 87.6 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -3.1 | 179 | -173.2 | 57.1 | 0 | 0 | 0 | 112.9 | V2606 Y2763 V2766 T2768 L2769 D2773 H2774 F2775 | V2606-N2771 HydrophobicContact CG1-CB 4.43Å; Y2763-N2771 WeakPolarHBondContact CD1-OD1 3.42Å; Y2763-N2771 PolarHBondContact O-ND2 3.17Å; V2766-N2771 HydrophobicContact CG1-CB 4.37Å; V2766-N2771 PolarHBondContact O-ND2 2.9Å; T2768-N2771 CarbonylContact O-C 3.49Å; T2768-N2771 PolarHBondContact O-N 2.94Å; T2768-N2771 VanDerWaalsContact O-N 3.1Å; T2768-N2771 VanDerWaalsContact OG1-CB 3.3Å; T2768-N2771 WeakPolarHBondContact OG1-CB 3.43Å; L2769-N2771 PolarHBondContact O-N 3.18Å; N2771-D2773 PolarHBondContact O-N 3.2Å; N2771-D2773 VanDerWaalsContact O-N 3.17Å; N2771-H2774 PolarHBondContact O-N 3.12Å; N2771-H2774 WeakPolarHBondContact OD1-CB 3.38Å; N2771-F2775 VanDerWaalsContact O-CB 3.3Å; N2771-F2775 WeakPolarHBondContact O-CB 3.37Å; N2771-F2775 PolarHBondContact O-N 3.15Å |
| 2772 | S | 83.4 | Confident | 87.8 | Confident | 27 Ų | 27 | 30.4 Ų | 30.4 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.8 | -35.9 | -175.6 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | T2768 L2769 T2776 | T2768-S2772 PolarHBondContact O-N 3.01Å; L2769-S2772 VanDerWaalsContact O-CB 3.22Å; L2769-S2772 WeakPolarHBondContact O-CB 3.42Å; L2769-S2772 PolarHBondContact O-N 3.11Å; L2769-S2772 VanDerWaalsContact O-N 3.13Å; S2772-T2776 WeakPolarHBondContact O-CB 3.22Å; S2772-T2776 PolarHBondContact O-N 3.03Å; S2772-T2776 VanDerWaalsContact O-N 3.09Å; S2772-T2776 PolarHBondContact O-OG1 2.93Å |
| 2773 | D | 83.6 | Confident | 88 | Confident | 23 Ų | 23 | 30.5 Ų | 30.5 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.9 | -50.8 | -178.1 | -67.1 | -15.4 | 0 | 0 | 0 | 110.9 | M2717 I2723 N2771 F2775 T2776 V2777 | M2717-D2773 VanDerWaalsContact CE-CA 3.43Å; M2717-D2773 HydrophobicContact CE-CB 3.6Å; M2717-D2773 WeakPolarHBondContact CE-OD1 3.3Å; M2717-D2773 HydrophobicContact CG-CB 4.12Å; M2717-D2773 HydrophobicContact SD-CB 3.61Å; M2717-D2773 VanDerWaalsContact SD-CB 3.56Å; I2723-D2773 HydrophobicContact CD1-CB 3.81Å; N2771-D2773 PolarHBondContact O-N 3.2Å; N2771-D2773 VanDerWaalsContact O-N 3.17Å; D2773-F2775 VanDerWaalsContact C-N 3.3Å; D2773-F2775 PolarHBondContact O-N 3.01Å; D2773-T2776 WeakPolarHBondContact O-CB 3.28Å; D2773-T2776 PolarHBondContact O-N 3.16Å; D2773-T2776 VanDerWaalsContact O-N 3.1Å; D2773-V2777 PolarHBondContact O-N 3.22Å; D2773-V2777 VanDerWaalsContact O-N 3.09Å |
| 2774 | H | 87.7 | Confident | 88.2 | Confident | 16 Ų | 16 | 32.1 Ų | 32.1 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.1 | -40.9 | 172.3 | -57.1 | 78.9 | 0 | 0 | 0 | 112.1 | D2720 T2722 Y2763 N2771 T2776 V2777 A2778 | D2720-H2774 IonicContact OD2-CE1 3.14Å; D2720-H2774 PolarHBondContact OD2-CE1 3.09Å; D2720-H2774 VanDerWaalsContact OD2-CE1 3.27Å; D2720-H2774 IonicContact OD2-NE2 2.74Å; D2720-H2774 PolarHBondContact OD2-NE2 2.94Å; T2722-H2774 PolarHBondContact OG1-CD2 3.16Å; T2722-H2774 PolarHBondContact OG1-NE2 3.23Å; Y2763-H2774 HydrophobicContact CD1-CB 3.61Å; Y2763-H2774 AromaticContact CD1-CG 3.99Å; Y2763-H2774 HydrophobicContact CE1-CB 4.12Å; Y2763-H2774 AromaticContact CE1-CD2 3.84Å; Y2763-H2774 AromaticContact CE1-CG 3.98Å; Y2763-H2774 HydrophobicContact CG-CB 4.04Å; N2771-H2774 PolarHBondContact O-N 3.12Å; N2771-H2774 WeakPolarHBondContact OD1-CB 3.38Å; H2774-T2776 VanDerWaalsContact C-N 3.3Å; H2774-T2776 PolarHBondContact O-N 3.23Å; H2774-V2777 PolarHBondContact O-N 2.85Å; H2774-A2778 WeakPolarHBondContact O-CB 3.27Å; H2774-A2778 PolarHBondContact O-N 2.8Å |
| 2775 | F | 90.7 | Very high | 88.3 | Confident | 6.5 Ų | 6.5 | 32.3 Ų | 32.3 | 3% | 0.029 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 175.6 | -178.3 | -82.6 | 0 | 0 | 0 | 111.4 | Y2763 L2764 R2767 N2771 D2773 S2779 M2811 A2815 W2819 | Y2763-F2775 WeakPolarHBondContact O-CD2 3.44Å; L2764-F2775 HydrophobicContact CB-CE2 4.39Å; L2764-F2775 HydrophobicContact CD2-CD2 3.99Å; L2764-F2775 HydrophobicContact CD2-CE2 3.94Å; L2764-F2775 HydrophobicContact CD2-CG 4.4Å; L2764-F2775 HydrophobicContact CD2-CZ 4.34Å; L2764-F2775 VanDerWaalsContact O-CE2 3.29Å; L2764-F2775 WeakPolarHBondContact O-CE2 3.36Å; R2767-F2775 VanDerWaalsContact CZ-CZ 3.41Å; R2767-F2775 VanDerWaalsContact NE-CE2 3.27Å; N2771-F2775 VanDerWaalsContact O-CB 3.3Å; N2771-F2775 WeakPolarHBondContact O-CB 3.37Å; N2771-F2775 PolarHBondContact O-N 3.15Å; D2773-F2775 VanDerWaalsContact C-N 3.3Å; D2773-F2775 PolarHBondContact O-N 3.01Å; F2775-S2779 WeakPolarHBondContact CE1-OG 3.32Å; F2775-S2779 VanDerWaalsContact O-CB 3.31Å; F2775-S2779 WeakPolarHBondContact O-CB 3.34Å; F2775-S2779 PolarHBondContact O-N 3.06Å; F2775-S2779 PolarHBondContact O-OG 3.21Å; F2775-M2811 HydrophobicContact CD1-CB 4.22Å; F2775-M2811 HydrophobicContact CE1-CB 3.53Å; F2775-M2811 HydrophobicContact CE1-CE 4.39Å; F2775-M2811 HydrophobicContact CE1-CG 4.44Å; F2775-M2811 HydrophobicContact CE1-SD 4.11Å; F2775-M2811 HydrophobicContact CZ-CB 4.15Å; F2775-M2811 HydrophobicContact CZ-CE 4.15Å; F2775-M2811 HydrophobicContact CZ-SD 4.46Å; F2775-A2815 HydrophobicContact CD1-CB 3.9Å; F2775-A2815 HydrophobicContact CE1-CB 3.75Å; F2775-W2819 AromaticContact CE1-NE1 3.85Å; F2775-W2819 AromaticContact CZ-NE1 3.61Å |
| 2776 | T | 90.4 | Very high | 88.5 | Confident | 8.5 Ų | 8.5 | 26.9 Ų | 26.9 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.2 | -46.8 | -178.5 | -59.6 | 0 | 0 | 0 | 0 | 111 | M2717 S2772 D2773 H2774 S2779 K2780 S2812 V2814 A2815 | M2717-T2776 HydrophobicContact CE-CG2 4.42Å; S2772-T2776 WeakPolarHBondContact O-CB 3.22Å; S2772-T2776 PolarHBondContact O-N 3.03Å; S2772-T2776 VanDerWaalsContact O-N 3.09Å; S2772-T2776 PolarHBondContact O-OG1 2.93Å; D2773-T2776 WeakPolarHBondContact O-CB 3.28Å; D2773-T2776 PolarHBondContact O-N 3.16Å; D2773-T2776 VanDerWaalsContact O-N 3.1Å; H2774-T2776 VanDerWaalsContact C-N 3.3Å; H2774-T2776 PolarHBondContact O-N 3.23Å; T2776-S2779 PolarHBondContact O-N 3.38Å; T2776-K2780 WeakPolarHBondContact O-CG 3.47Å; T2776-K2780 PolarHBondContact O-N 3.35Å; T2776-K2780 VanDerWaalsContact O-N 3.1Å; T2776-S2812 PolarHBondContact OG1-OG 3.32Å; T2776-S2812 VanDerWaalsContact OG1-OG 3.12Å; T2776-V2814 HydrophobicContact CG2-CB 4.28Å; T2776-V2814 HydrophobicContact CG2-CG1 4.01Å; T2776-A2815 HydrophobicContact CG2-CB 4.35Å |
| 2777 | V | 88.4 | Confident | 88.7 | Confident | 1.5 Ų | 1.5 | 28.4 Ų | 28.4 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.8 | -39.9 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | M2717 I2723 I2726 E2727 D2773 H2774 S2779 K2780 L2781 | M2717-V2777 HydrophobicContact CE-CG2 4.31Å; M2717-V2777 HydrophobicContact SD-CG2 3.72Å; I2723-V2777 HydrophobicContact CG2-CG2 3.85Å; I2726-V2777 HydrophobicContact CB-CG1 3.7Å; I2726-V2777 HydrophobicContact CG2-CB 4.29Å; I2726-V2777 HydrophobicContact CG2-CG1 3.55Å; E2727-V2777 HydrophobicContact CB-CG1 4.2Å; E2727-V2777 HydrophobicContact CG-CB 4.35Å; E2727-V2777 HydrophobicContact CG-CG1 3.39Å; E2727-V2777 HydrophobicContact CG-CG2 3.96Å; D2773-V2777 PolarHBondContact O-N 3.22Å; D2773-V2777 VanDerWaalsContact O-N 3.09Å; H2774-V2777 PolarHBondContact O-N 2.85Å; V2777-S2779 VanDerWaalsContact C-N 3.26Å; V2777-S2779 PolarHBondContact O-N 3.16Å; V2777-K2780 WeakPolarHBondContact O-CB 3.41Å; V2777-K2780 PolarHBondContact O-N 3.06Å; V2777-K2780 VanDerWaalsContact O-N 3.13Å; V2777-L2781 PolarHBondContact O-N 3.36Å |
| 2778 | A | 93 | Very high | 89 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.8 | -37.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2760 L2764 H2774 L2781 I2782 | I2760-A2778 HydrophobicContact CG2-CB 3.78Å; L2764-A2778 HydrophobicContact CD2-CB 3.74Å; L2764-A2778 HydrophobicContact CG-CB 4Å; H2774-A2778 WeakPolarHBondContact O-CB 3.27Å; H2774-A2778 PolarHBondContact O-N 2.8Å; A2778-L2781 WeakPolarHBondContact O-CB 3.34Å; A2778-L2781 PolarHBondContact O-N 3.27Å; A2778-I2782 WeakPolarHBondContact O-CG1 3.24Å; A2778-I2782 PolarHBondContact O-N 3.27Å |
| 2779 | S | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -40.6 | 175 | -61 | 0 | 0 | 0 | 0 | 111.5 | L2764 F2775 T2776 V2777 L2781 I2782 A2783 W2819 | L2764-S2779 WeakPolarHBondContact CD2-OG 3.2Å; F2775-S2779 WeakPolarHBondContact CE1-OG 3.32Å; F2775-S2779 VanDerWaalsContact O-CB 3.31Å; F2775-S2779 WeakPolarHBondContact O-CB 3.34Å; F2775-S2779 PolarHBondContact O-N 3.06Å; F2775-S2779 PolarHBondContact O-OG 3.21Å; T2776-S2779 PolarHBondContact O-N 3.38Å; V2777-S2779 VanDerWaalsContact C-N 3.26Å; V2777-S2779 PolarHBondContact O-N 3.16Å; S2779-L2781 VanDerWaalsContact C-N 3.33Å; S2779-L2781 PolarHBondContact O-N 3.07Å; S2779-I2782 PolarHBondContact O-N 2.95Å; S2779-A2783 WeakPolarHBondContact O-CB 3.36Å; S2779-A2783 PolarHBondContact O-N 3.23Å; S2779-W2819 PolarHBondContact OG-NE1 2.95Å |
| 2780 | K | 93.7 | Very high | 90 | Very high | 79 Ų | 79 | 30.2 Ų | 30.2 | 34% | 0.343 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 173.6 | -67.4 | 175.2 | -179.9 | 176.9 | 0 | 112 | T2730 T2776 V2777 A2783 S2784 S2818 | T2730-K2780 HydrophobicContact CG2-CB 3.9Å; T2730-K2780 WeakPolarHBondContact CG2-O 3.38Å; T2776-K2780 WeakPolarHBondContact O-CG 3.47Å; T2776-K2780 PolarHBondContact O-N 3.35Å; T2776-K2780 VanDerWaalsContact O-N 3.1Å; V2777-K2780 WeakPolarHBondContact O-CB 3.41Å; V2777-K2780 PolarHBondContact O-N 3.06Å; V2777-K2780 VanDerWaalsContact O-N 3.13Å; K2780-A2783 WeakPolarHBondContact O-CB 3.37Å; K2780-A2783 PolarHBondContact O-N 3.26Å; K2780-S2784 WeakPolarHBondContact O-CB 3.2Å; K2780-S2784 PolarHBondContact O-N 3.17Å; K2780-S2818 WeakPolarHBondContact CG-OG 3.33Å |
| 2781 | L | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | 175.3 | -180 | 60.2 | 0 | 0 | 0 | 111.2 | I2726 L2729 T2730 M2733 I2760 V2777 A2778 S2779 A2783 S2784 I2785 | I2726-L2781 HydrophobicContact CG2-CB 4.14Å; I2726-L2781 HydrophobicContact CG2-CD2 3.89Å; L2729-L2781 HydrophobicContact CB-CD1 3.9Å; L2729-L2781 HydrophobicContact CB-CD2 4.38Å; T2730-L2781 VanDerWaalsContact OG1-CA 3.29Å; T2730-L2781 WeakPolarHBondContact OG1-CA 3.29Å; T2730-L2781 VanDerWaalsContact OG1-CB 3.29Å; T2730-L2781 WeakPolarHBondContact OG1-CB 3.45Å; T2730-L2781 PolarHBondContact OG1-N 3.35Å; M2733-L2781 HydrophobicContact CE-CD1 3.74Å; M2733-L2781 HydrophobicContact CE-CG 4.46Å; I2760-L2781 HydrophobicContact CB-CD2 4.48Å; I2760-L2781 HydrophobicContact CD1-CD2 3.74Å; I2760-L2781 HydrophobicContact CG1-CD2 3.69Å; I2760-L2781 HydrophobicContact CG2-CD2 4.04Å; V2777-L2781 PolarHBondContact O-N 3.36Å; A2778-L2781 WeakPolarHBondContact O-CB 3.34Å; A2778-L2781 PolarHBondContact O-N 3.27Å; S2779-L2781 VanDerWaalsContact C-N 3.33Å; S2779-L2781 PolarHBondContact O-N 3.07Å; L2781-A2783 VanDerWaalsContact C-N 3.29Å; L2781-A2783 PolarHBondContact O-N 3.02Å; L2781-S2784 PolarHBondContact O-N 3.08Å; L2781-I2785 HydrophobicContact CD1-CD1 3.89Å; L2781-I2785 HydrophobicContact CD1-CG1 4.32Å; L2781-I2785 HydrophobicContact CG-CD1 3.84Å; L2781-I2785 WeakPolarHBondContact O-CD1 3.43Å; L2781-I2785 VanDerWaalsContact O-CG1 3.25Å; L2781-I2785 WeakPolarHBondContact O-CG1 3.34Å; L2781-I2785 PolarHBondContact O-N 3.13Å |
| 2782 | I | 95 | Very high | 90.9 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 177.2 | -59.5 | -55.2 | 0 | 0 | 0 | 110.7 | L2757 I2760 F2761 L2764 A2778 S2779 I2785 S2786 V2799 I2822 | L2757-I2782 HydrophobicContact CD2-CD1 3.53Å; I2760-I2782 HydrophobicContact CG2-CD1 4.48Å; F2761-I2782 HydrophobicContact CE1-CD1 4.49Å; F2761-I2782 HydrophobicContact CZ-CD1 4.42Å; L2764-I2782 HydrophobicContact CD1-CD1 4.47Å; L2764-I2782 HydrophobicContact CD1-CG1 3.7Å; A2778-I2782 WeakPolarHBondContact O-CG1 3.24Å; A2778-I2782 PolarHBondContact O-N 3.27Å; S2779-I2782 PolarHBondContact O-N 2.95Å; I2782-I2785 PolarHBondContact O-N 2.99Å; I2782-S2786 WeakPolarHBondContact O-CA 3.31Å; I2782-S2786 WeakPolarHBondContact O-CB 3.29Å; I2782-S2786 PolarHBondContact O-N 3.44Å; I2782-S2786 PolarHBondContact O-OG 3.02Å; I2782-V2799 HydrophobicContact CG2-CG2 3.99Å; I2782-I2822 HydrophobicContact CB-CD1 3.77Å; I2782-I2822 HydrophobicContact CB-CG1 4.41Å; I2782-I2822 HydrophobicContact CG2-CD1 3.65Å; I2782-I2822 HydrophobicContact CG2-CG1 3.94Å; I2782-I2822 HydrophobicContact CG2-CG2 4.17Å |
| 2783 | A | 94.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S2779 K2780 L2781 I2785 S2786 S2787 L2821 I2822 | S2779-A2783 WeakPolarHBondContact O-CB 3.36Å; S2779-A2783 PolarHBondContact O-N 3.23Å; K2780-A2783 WeakPolarHBondContact O-CB 3.37Å; K2780-A2783 PolarHBondContact O-N 3.26Å; L2781-A2783 VanDerWaalsContact C-N 3.29Å; L2781-A2783 PolarHBondContact O-N 3.02Å; A2783-I2785 VanDerWaalsContact C-N 3.35Å; A2783-I2785 PolarHBondContact O-N 3.24Å; A2783-S2786 WeakPolarHBondContact CA-OG 3.38Å; A2783-S2786 PolarHBondContact O-N 3.12Å; A2783-S2786 PolarHBondContact O-OG 3.25Å; A2783-S2787 PolarHBondContact O-N 3.13Å; A2783-L2821 HydrophobicContact CB-CB 4.4Å; A2783-I2822 HydrophobicContact CB-CD1 4.27Å; A2783-I2822 HydrophobicContact CB-CG1 3.94Å |
| 2784 | S | 93.2 | Very high | 91.5 | Very high | 34.5 Ų | 34.5 | 31.9 Ų | 31.9 | 24% | 0.241 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 112.2 | T2730 K2780 L2781 S2786 S2787 Y2788 | T2730-S2784 WeakPolarHBondContact O-CB 3.27Å; T2730-S2784 PolarHBondContact O-OG 3.13Å; K2780-S2784 WeakPolarHBondContact O-CB 3.2Å; K2780-S2784 PolarHBondContact O-N 3.17Å; L2781-S2784 PolarHBondContact O-N 3.08Å; S2784-S2786 PolarHBondContact O-N 3.4Å; S2784-S2787 PolarHBondContact O-N 3.44Å; S2784-S2787 PolarHBondContact O-OG 3.27Å; S2784-Y2788 WeakPolarHBondContact O-CD2 3.42Å |
| 2785 | I | 93.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.4 | -40.2 | 178.5 | -59.6 | 159.5 | 0 | 0 | 0 | 111 | M2733 L2753 L2757 L2781 I2782 A2783 S2787 Y2788 T2791 | M2733-I2785 HydrophobicContact CE-CD1 3.05Å; M2733-I2785 HydrophobicContact CE-CG1 3.42Å; M2733-I2785 VanDerWaalsContact CE-CG1 3.42Å; L2753-I2785 HydrophobicContact CD1-CG2 4.09Å; L2753-I2785 HydrophobicContact CD2-CD1 4.22Å; L2753-I2785 HydrophobicContact CD2-CG2 4.19Å; L2757-I2785 HydrophobicContact CD2-CD1 3.88Å; L2781-I2785 HydrophobicContact CD1-CD1 3.89Å; L2781-I2785 HydrophobicContact CD1-CG1 4.32Å; L2781-I2785 HydrophobicContact CG-CD1 3.84Å; L2781-I2785 WeakPolarHBondContact O-CD1 3.43Å; L2781-I2785 VanDerWaalsContact O-CG1 3.25Å; L2781-I2785 WeakPolarHBondContact O-CG1 3.34Å; L2781-I2785 PolarHBondContact O-N 3.13Å; I2782-I2785 PolarHBondContact O-N 2.99Å; A2783-I2785 VanDerWaalsContact C-N 3.35Å; A2783-I2785 PolarHBondContact O-N 3.24Å; I2785-S2787 PolarHBondContact O-N 3.3Å; I2785-S2787 VanDerWaalsContact O-N 3.11Å; I2785-Y2788 PolarHBondContact O-N 2.93Å; I2785-T2791 HydrophobicContact CG2-CG2 3.83Å; I2785-T2791 WeakPolarHBondContact CG2-OG1 3.31Å; I2785-T2791 PolarHBondContact O-OG1 3.21Å |
| 2786 | S | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -23.9 | -173.6 | 71.2 | 0 | 0 | 0 | 0 | 113.4 | I2782 A2783 S2784 Y2788 N2825 Q2829 | I2782-S2786 WeakPolarHBondContact O-CA 3.31Å; I2782-S2786 WeakPolarHBondContact O-CB 3.29Å; I2782-S2786 PolarHBondContact O-N 3.44Å; I2782-S2786 PolarHBondContact O-OG 3.02Å; A2783-S2786 WeakPolarHBondContact CA-OG 3.38Å; A2783-S2786 PolarHBondContact O-N 3.12Å; A2783-S2786 PolarHBondContact O-OG 3.25Å; S2784-S2786 PolarHBondContact O-N 3.4Å; S2786-Y2788 PolarHBondContact O-N 2.88Å; S2786-N2825 PolarHBondContact OG-ND2 3.08Å; S2786-Q2829 PolarHBondContact O-NE2 3.38Å |
| 2787 | S | 90.5 | Very high | 92 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 47% | 0.469 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.4 | 175.9 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | A2783 S2784 I2785 N2825 | A2783-S2787 PolarHBondContact O-N 3.13Å; S2784-S2787 PolarHBondContact O-N 3.44Å; S2784-S2787 PolarHBondContact O-OG 3.27Å; I2785-S2787 PolarHBondContact O-N 3.3Å; I2785-S2787 VanDerWaalsContact O-N 3.11Å; S2787-N2825 WeakPolarHBondContact CA-ND2 3.38Å; S2787-N2825 PolarHBondContact N-ND2 3.06Å |
| 2788 | Y | 90 | Very high | 92.2 | Very high | 58.5 Ų | 58.5 | 42.3 Ų | 42.3 | 23% | 0.229 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -97.8 | 108.5 | 179.6 | -65.9 | -96.1 | 0 | 0 | 0 | 110.9 | A2734 D2738 S2784 I2785 S2786 Y2790 T2791 | A2734-Y2788 HydrophobicContact CB-CD2 3.77Å; A2734-Y2788 HydrophobicContact CB-CE2 3.4Å; A2734-Y2788 VanDerWaalsContact CB-CE2 3.41Å; D2738-Y2788 HydrophobicContact CB-CD1 4.35Å; D2738-Y2788 HydrophobicContact CB-CE1 3.78Å; S2784-Y2788 WeakPolarHBondContact O-CD2 3.42Å; I2785-Y2788 PolarHBondContact O-N 2.93Å; S2786-Y2788 PolarHBondContact O-N 2.88Å; Y2788-Y2790 VanDerWaalsContact C-N 3.29Å; Y2788-Y2790 AromaticContact CD1-CE1 3.74Å; Y2788-Y2790 HydrophobicContact CD1-CE1 3.74Å; Y2788-Y2790 AromaticContact CD1-CZ 3.94Å; Y2788-Y2790 WeakPolarHBondContact CD1-OH 3.23Å; Y2788-Y2790 HydrophobicContact CG-CE1 4.18Å; Y2788-Y2790 PolarHBondContact O-N 2.99Å; Y2788-Y2790 VanDerWaalsContact O-N 3.14Å; Y2788-T2791 WeakPolarHBondContact O-CB 3.12Å; Y2788-T2791 PolarHBondContact O-N 3.09Å; Y2788-T2791 PolarHBondContact O-OG1 3.2Å |
| 2789 | Q | 89.8 | Confident | 92.2 | Very high | 128 Ų | 128 | 42.3 Ų | 42.3 | 60% | 0.598 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -56.1 | -34.9 | -172.1 | -173.9 | 177.3 | 2.6 | 0 | 0 | 114.8 | T2791 R2792 Q2829 | Q2789-T2791 PolarHBondContact O-N 2.89Å; Q2789-R2792 VanDerWaalsContact O-CB 3.23Å; Q2789-R2792 WeakPolarHBondContact O-CB 3.36Å; Q2789-R2792 PolarHBondContact O-N 3.12Å; Q2789-Q2829 HydrophobicContact CB-CG 4.43Å; Q2789-Q2829 HydrophobicContact CG-CB 4.19Å; Q2789-Q2829 HydrophobicContact CG-CG 4.17Å |
| 2790 | Y | 88 | Confident | 92.1 | Very high | 47.5 Ų | 47.5 | 43 Ų | 43 | 19% | 0.186 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -67.4 | -16.9 | 180 | 60.3 | -95.1 | 0 | 0 | 0 | 113.4 | K2746 V2749 Y2788 R2792 | K2746-Y2790 HydrophobicContact CB-CD2 4.26Å; K2746-Y2790 HydrophobicContact CB-CG 4.1Å; K2746-Y2790 HydrophobicContact CD-CD1 3.73Å; K2746-Y2790 HydrophobicContact CD-CE1 3.95Å; K2746-Y2790 HydrophobicContact CD-CG 4.07Å; K2746-Y2790 HydrophobicContact CG-CG 4.45Å; V2749-Y2790 HydrophobicContact CB-CD2 4.2Å; V2749-Y2790 HydrophobicContact CB-CE2 4.24Å; V2749-Y2790 HydrophobicContact CG1-CD2 4.24Å; V2749-Y2790 HydrophobicContact CG1-CE2 3.91Å; V2749-Y2790 HydrophobicContact CG2-CD2 4.44Å; V2749-Y2790 HydrophobicContact CG2-CE2 4.28Å; Y2788-Y2790 VanDerWaalsContact C-N 3.29Å; Y2788-Y2790 AromaticContact CD1-CE1 3.74Å; Y2788-Y2790 HydrophobicContact CD1-CE1 3.74Å; Y2788-Y2790 AromaticContact CD1-CZ 3.94Å; Y2788-Y2790 WeakPolarHBondContact CD1-OH 3.23Å; Y2788-Y2790 HydrophobicContact CG-CE1 4.18Å; Y2788-Y2790 PolarHBondContact O-N 2.99Å; Y2788-Y2790 VanDerWaalsContact O-N 3.14Å; Y2790-R2792 VanDerWaalsContact C-N 3.35Å |
| 2791 | T | 91.4 | Very high | 92 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -82.9 | -14.5 | 178.9 | 72.3 | 0 | 0 | 0 | 0 | 113 | L2753 I2785 Y2788 Q2789 K2793 S2794 W2795 | L2753-T2791 HydrophobicContact CD1-CG2 3.6Å; I2785-T2791 HydrophobicContact CG2-CG2 3.83Å; I2785-T2791 WeakPolarHBondContact CG2-OG1 3.31Å; I2785-T2791 PolarHBondContact O-OG1 3.21Å; Y2788-T2791 WeakPolarHBondContact O-CB 3.12Å; Y2788-T2791 PolarHBondContact O-N 3.09Å; Y2788-T2791 PolarHBondContact O-OG1 3.2Å; Q2789-T2791 PolarHBondContact O-N 2.89Å; T2791-K2793 PolarHBondContact O-N 3.28Å; T2791-K2793 VanDerWaalsContact O-N 3.08Å; T2791-S2794 WeakPolarHBondContact O-CB 3.45Å; T2791-S2794 PolarHBondContact O-N 3.06Å; T2791-W2795 PolarHBondContact O-NE1 3.08Å; T2791-W2795 PolarHBondContact OG1-NE1 2.84Å |
| 2792 | R | 90.8 | Very high | 91.9 | Very high | 23.5 Ų | 23.5 | 43.3 Ų | 43.3 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -50.7 | -40.3 | -170.3 | -176.1 | -178 | 177.8 | 81.9 | 2.9 | 114.1 | Q2789 Y2790 S2794 W2795 R2796 N2825 L2826 T2833 | Q2789-R2792 VanDerWaalsContact O-CB 3.23Å; Q2789-R2792 WeakPolarHBondContact O-CB 3.36Å; Q2789-R2792 PolarHBondContact O-N 3.12Å; Y2790-R2792 VanDerWaalsContact C-N 3.35Å; R2792-S2794 PolarHBondContact O-N 2.94Å; R2792-S2794 VanDerWaalsContact O-N 3.11Å; R2792-W2795 HydrophobicContact CB-CZ2 4.13Å; R2792-W2795 HydrophobicContact CG-CH2 4.34Å; R2792-W2795 HydrophobicContact CG-CZ2 4.14Å; R2792-W2795 PolarHBondContact O-N 3.2Å; R2792-R2796 HydrophobicContact CG-CB 4.23Å; R2792-R2796 VanDerWaalsContact O-CB 3.29Å; R2792-R2796 WeakPolarHBondContact O-CB 3.47Å; R2792-R2796 PolarHBondContact O-N 2.98Å; R2792-N2825 PolarHBondContact NH1-O 3.28Å; R2792-L2826 VanDerWaalsContact CZ-O 3.26Å; R2792-L2826 PolarHBondContact NH1-O 2.91Å; R2792-L2826 PolarHBondContact NH2-O 3.38Å; R2792-T2833 PolarHBondContact NH2-OG1 2.95Å |
| 2793 | K | 91.2 | Very high | 91.8 | Very high | 180.5 Ų | 180.5 | 43.2 Ų | 43.2 | 79% | 0.785 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -59.2 | -23.8 | -178.5 | -175.9 | 178.3 | -179.3 | -177.5 | 0 | 112.8 | S2750 T2791 | S2750-K2793 WeakPolarHBondContact OG-CB 3.41Å; T2791-K2793 PolarHBondContact O-N 3.28Å; T2791-K2793 VanDerWaalsContact O-N 3.08Å |
| 2794 | S | 90.2 | Very high | 91.6 | Very high | 2.5 Ų | 2.5 | 45.6 Ų | 45.6 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -86.7 | -20.7 | -177.2 | -54.7 | 0 | 0 | 0 | 0 | 115.1 | S2750 N2754 T2791 R2792 | S2750-S2794 VanDerWaalsContact C-OG 3.25Å; S2750-S2794 WeakPolarHBondContact CA-OG 3.42Å; S2750-S2794 WeakPolarHBondContact CB-OG 3.43Å; S2750-S2794 PolarHBondContact O-OG 3.26Å; S2750-S2794 PolarHBondContact OG-OG 3.2Å; N2754-S2794 WeakPolarHBondContact OD1-CA 3.32Å; N2754-S2794 WeakPolarHBondContact OD1-CB 3.29Å; N2754-S2794 PolarHBondContact OD1-O 3.24Å; T2791-S2794 WeakPolarHBondContact O-CB 3.45Å; T2791-S2794 PolarHBondContact O-N 3.06Å; R2792-S2794 PolarHBondContact O-N 2.94Å; R2792-S2794 VanDerWaalsContact O-N 3.11Å |
| 2795 | W | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -19.6 | -174.1 | 55.7 | -101 | 0 | 0 | 0 | 114.3 | L2757 F2761 T2791 R2792 R2797 D2798 V2799 N2825 L2826 | L2757-W2795 HydrophobicContact CD1-CB 4.11Å; F2761-W2795 HydrophobicContact CZ-CB 4.06Å; T2791-W2795 PolarHBondContact O-NE1 3.08Å; T2791-W2795 PolarHBondContact OG1-NE1 2.84Å; R2792-W2795 HydrophobicContact CB-CZ2 4.13Å; R2792-W2795 HydrophobicContact CG-CH2 4.34Å; R2792-W2795 HydrophobicContact CG-CZ2 4.14Å; R2792-W2795 PolarHBondContact O-N 3.2Å; W2795-R2797 VanDerWaalsContact C-N 3.34Å; W2795-R2797 PolarHBondContact O-N 2.98Å; W2795-D2798 PolarHBondContact O-N 3.29Å; W2795-V2799 HydrophobicContact CB-CG2 4.23Å; W2795-V2799 HydrophobicContact CE3-CB 4.05Å; W2795-V2799 HydrophobicContact CE3-CG1 4.37Å; W2795-V2799 HydrophobicContact CE3-CG2 3.79Å; W2795-V2799 HydrophobicContact CZ3-CG1 4.45Å; W2795-V2799 WeakPolarHBondContact O-CB 3.42Å; W2795-V2799 VanDerWaalsContact O-CG2 3.28Å; W2795-V2799 WeakPolarHBondContact O-CG2 3.42Å; W2795-V2799 PolarHBondContact O-N 2.99Å; W2795-N2825 HydrophobicContact CH2-CB 4.44Å; W2795-L2826 HydrophobicContact CH2-CB 4.43Å; W2795-L2826 HydrophobicContact CZ3-CB 4.12Å; W2795-L2826 HydrophobicContact CZ3-CD1 3.93Å |
| 2796 | R | 93 | Very high | 91.2 | Very high | 52.5 Ų | 52.5 | 51.5 Ų | 51.5 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -49.8 | -51.1 | -175.2 | 179.6 | -158.4 | 171.6 | 110.2 | 4.8 | 112.9 | R2792 L2800 L2826 D2830 T2833 E2836 | R2792-R2796 HydrophobicContact CG-CB 4.23Å; R2792-R2796 VanDerWaalsContact O-CB 3.29Å; R2792-R2796 WeakPolarHBondContact O-CB 3.47Å; R2792-R2796 PolarHBondContact O-N 2.98Å; R2796-L2800 HydrophobicContact CG-CD1 3.82Å; R2796-L2800 HydrophobicContact CG-CG 4.47Å; R2796-L2800 WeakPolarHBondContact O-CB 3.32Å; R2796-L2800 VanDerWaalsContact O-CG 3.29Å; R2796-L2800 WeakPolarHBondContact O-CG 3.48Å; R2796-L2800 PolarHBondContact O-N 3.18Å; R2796-L2826 HydrophobicContact CG-CD1 3.8Å; R2796-D2830 IonicContact CZ-OD2 3.54Å; R2796-D2830 IonicContact NH1-OD2 3.69Å; R2796-D2830 PolarHBondContact NH1-OD2 2.9Å; R2796-D2830 IonicContact NH2-OD2 3.42Å; R2796-T2833 VanDerWaalsContact CZ-OG1 3.32Å; R2796-T2833 PolarHBondContact NH1-OG1 2.97Å; R2796-T2833 PolarHBondContact NH2-OG1 3.47Å; R2796-E2836 IonicContact CZ-OE2 2.76Å; R2796-E2836 IonicContact NH2-OE2 2.68Å; R2796-E2836 PolarHBondContact NH2-OE2 2.82Å |
| 2797 | R | 91.3 | Very high | 91 | Very high | 176 Ų | 176 | 54.2 Ų | 54.2 | 66% | 0.664 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.7 | -55.1 | -175.2 | 179.5 | -175.5 | 60.2 | -173.4 | -4.8 | 110.7 | W2795 V2799 L2800 D2801 | W2795-R2797 VanDerWaalsContact C-N 3.34Å; W2795-R2797 PolarHBondContact O-N 2.98Å; R2797-V2799 VanDerWaalsContact C-N 3.31Å; R2797-V2799 PolarHBondContact O-N 3.2Å; R2797-L2800 WeakPolarHBondContact O-CB 3.41Å; R2797-L2800 PolarHBondContact O-N 3.15Å; R2797-D2801 VanDerWaalsContact O-CG 3.23Å; R2797-D2801 PolarHBondContact O-N 3.5Å |
| 2798 | D | 92.7 | Very high | 91.1 | Very high | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -35.8 | -177.5 | -63.9 | -92.6 | 0 | 0 | 0 | 112.3 | F2761 R2765 W2795 D2801 L2802 | F2761-D2798 HydrophobicContact CD1-CB 3.74Å; F2761-D2798 HydrophobicContact CD2-CB 4.08Å; F2761-D2798 HydrophobicContact CE1-CB 3.36Å; F2761-D2798 HydrophobicContact CE2-CB 3.71Å; F2761-D2798 HydrophobicContact CG-CB 4.11Å; F2761-D2798 HydrophobicContact CZ-CB 3.36Å; R2765-D2798 IonicContact CZ-OD1 3.26Å; R2765-D2798 IonicContact NH2-OD1 3.19Å; R2765-D2798 PolarHBondContact NH2-OD1 3.19Å; W2795-D2798 PolarHBondContact O-N 3.29Å; D2798-D2801 PolarHBondContact O-N 2.93Å; D2798-L2802 VanDerWaalsContact O-CG 3.28Å; D2798-L2802 WeakPolarHBondContact O-CG 3.25Å; D2798-L2802 PolarHBondContact O-N 3.46Å |
| 2799 | V | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.8 | -41.1 | 174.3 | 170.2 | 0 | 0 | 0 | 0 | 112 | F2761 I2782 W2795 R2797 D2801 L2802 F2803 W2819 I2822 L2826 | F2761-V2799 HydrophobicContact CE1-CG2 4.35Å; I2782-V2799 HydrophobicContact CG2-CG2 3.99Å; W2795-V2799 HydrophobicContact CB-CG2 4.23Å; W2795-V2799 HydrophobicContact CE3-CB 4.05Å; W2795-V2799 HydrophobicContact CE3-CG1 4.37Å; W2795-V2799 HydrophobicContact CE3-CG2 3.79Å; W2795-V2799 HydrophobicContact CZ3-CG1 4.45Å; W2795-V2799 WeakPolarHBondContact O-CB 3.42Å; W2795-V2799 VanDerWaalsContact O-CG2 3.28Å; W2795-V2799 WeakPolarHBondContact O-CG2 3.42Å; W2795-V2799 PolarHBondContact O-N 2.99Å; R2797-V2799 VanDerWaalsContact C-N 3.31Å; R2797-V2799 PolarHBondContact O-N 3.2Å; V2799-D2801 VanDerWaalsContact C-N 3.34Å; V2799-L2802 PolarHBondContact O-N 3.39Å; V2799-F2803 PolarHBondContact O-N 3.06Å; V2799-W2819 HydrophobicContact CG1-CH2 4.36Å; V2799-W2819 HydrophobicContact CG1-CZ3 3.8Å; V2799-I2822 HydrophobicContact CG1-CG2 3.51Å; V2799-I2822 HydrophobicContact CG2-CG2 4.28Å; V2799-L2826 HydrophobicContact CG1-CD2 4.08Å |
| 2800 | L | 91.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.9 | -80.9 | 169.7 | 0 | 0 | 0 | 110.9 | R2796 R2797 L2802 F2803 Y2804 L2826 | R2796-L2800 HydrophobicContact CG-CD1 3.82Å; R2796-L2800 HydrophobicContact CG-CG 4.47Å; R2796-L2800 WeakPolarHBondContact O-CB 3.32Å; R2796-L2800 VanDerWaalsContact O-CG 3.29Å; R2796-L2800 WeakPolarHBondContact O-CG 3.48Å; R2796-L2800 PolarHBondContact O-N 3.18Å; R2797-L2800 WeakPolarHBondContact O-CB 3.41Å; R2797-L2800 PolarHBondContact O-N 3.15Å; L2800-L2802 VanDerWaalsContact C-N 3.34Å; L2800-L2802 PolarHBondContact O-N 3.02Å; L2800-F2803 PolarHBondContact O-N 3.49Å; L2800-Y2804 HydrophobicContact CB-CD2 4.48Å; L2800-Y2804 HydrophobicContact CB-CE2 4.23Å; L2800-Y2804 HydrophobicContact CD2-CE2 3.99Å; L2800-Y2804 WeakPolarHBondContact O-CD2 3.41Å; L2800-Y2804 PolarHBondContact O-N 3.34Å; L2800-L2826 HydrophobicContact CD2-CD1 4.31Å; L2800-L2826 HydrophobicContact CD2-CD2 3.64Å; L2800-L2826 HydrophobicContact CD2-CG 4.37Å; L2800-L2826 HydrophobicContact CG-CD1 4.08Å; L2800-L2826 HydrophobicContact CG-CD2 4.03Å |
| 2801 | D | 91.8 | Very high | 91.2 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 44% | 0.444 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59 | -46.9 | 177.9 | -67.2 | -19.2 | 0 | 0 | 0 | 110.5 | R2797 D2798 V2799 F2803 Y2804 E2805 | R2797-D2801 VanDerWaalsContact O-CG 3.23Å; R2797-D2801 PolarHBondContact O-N 3.5Å; D2798-D2801 PolarHBondContact O-N 2.93Å; V2799-D2801 VanDerWaalsContact C-N 3.34Å; D2801-F2803 PolarHBondContact O-N 3.38Å; D2801-Y2804 PolarHBondContact O-N 3.33Å; D2801-E2805 PolarHBondContact O-N 3.28Å |
| 2802 | L | 92.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.3 | -72.5 | 169.6 | 0 | 0 | 0 | 112.6 | F2761 L2764 R2765 D2798 V2799 L2800 Y2804 E2805 F2808 W2819 | F2761-L2802 HydrophobicContact CD1-CD1 4.28Å; F2761-L2802 HydrophobicContact CE1-CD1 4.45Å; L2764-L2802 HydrophobicContact CB-CD1 3.78Å; L2764-L2802 HydrophobicContact CD1-CD1 4.27Å; R2765-L2802 HydrophobicContact CG-CD2 3.96Å; D2798-L2802 VanDerWaalsContact O-CG 3.28Å; D2798-L2802 WeakPolarHBondContact O-CG 3.25Å; D2798-L2802 PolarHBondContact O-N 3.46Å; V2799-L2802 PolarHBondContact O-N 3.39Å; L2800-L2802 VanDerWaalsContact C-N 3.34Å; L2800-L2802 PolarHBondContact O-N 3.02Å; L2802-Y2804 VanDerWaalsContact C-N 3.29Å; L2802-Y2804 PolarHBondContact O-N 2.97Å; L2802-E2805 WeakPolarHBondContact O-CB 3.28Å; L2802-E2805 PolarHBondContact O-N 3.05Å; L2802-F2808 VanDerWaalsContact O-CD2 3.27Å; L2802-F2808 WeakPolarHBondContact O-CD2 3.12Å; L2802-W2819 HydrophobicContact CB-CH2 3.92Å; L2802-W2819 HydrophobicContact CD1-CH2 3.84Å; L2802-W2819 HydrophobicContact CD1-CZ2 4.17Å |
| 2803 | F | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | 177.1 | 177.9 | -113.4 | 0 | 0 | 0 | 112.4 | V2799 L2800 D2801 E2805 F2808 I2823 L2841 K2868 Y2871 L2872 | V2799-F2803 PolarHBondContact O-N 3.06Å; L2800-F2803 PolarHBondContact O-N 3.49Å; D2801-F2803 PolarHBondContact O-N 3.38Å; F2803-E2805 VanDerWaalsContact C-N 3.34Å; F2803-F2808 HydrophobicContact CB-CE2 4.44Å; F2803-F2808 HydrophobicContact CD2-CD1 4.19Å; F2803-F2808 HydrophobicContact CD2-CD2 4.5Å; F2803-F2808 AromaticContact CD2-CE1 3.86Å; F2803-F2808 HydrophobicContact CD2-CE1 3.86Å; F2803-F2808 HydrophobicContact CD2-CE2 4.18Å; F2803-F2808 HydrophobicContact CD2-CG 4.5Å; F2803-F2808 AromaticContact CD2-CZ 3.85Å; F2803-F2808 HydrophobicContact CD2-CZ 3.85Å; F2803-F2808 HydrophobicContact CE2-CE1 4.23Å; F2803-I2823 HydrophobicContact CB-CD1 4.38Å; F2803-I2823 HydrophobicContact CD2-CD1 3.95Å; F2803-I2823 HydrophobicContact CG-CD1 4.2Å; F2803-L2841 HydrophobicContact CE1-CD1 4.37Å; F2803-K2868 HydrophobicContact CE2-CB 4.25Å; F2803-K2868 HydrophobicContact CE2-CG 4.39Å; F2803-K2868 HydrophobicContact CZ-CB 3.85Å; F2803-K2868 HydrophobicContact CZ-CG 4.39Å; F2803-K2868 VanDerWaalsContact O-CE 3.25Å; F2803-K2868 WeakPolarHBondContact O-CE 3.41Å; F2803-K2868 PolarHBondContact O-NZ 2.84Å; F2803-Y2871 HydrophobicContact CE2-CD1 4.09Å; F2803-L2872 HydrophobicContact CZ-CB 4.4Å |
| 2804 | Y | 90.5 | Very high | 90.1 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79.6 | -11.7 | 177.2 | -67.4 | -57.4 | 0 | 0 | 0 | 114 | L2800 D2801 L2802 A2837 R2840 L2841 K2868 | L2800-Y2804 HydrophobicContact CB-CD2 4.48Å; L2800-Y2804 HydrophobicContact CB-CE2 4.23Å; L2800-Y2804 HydrophobicContact CD2-CE2 3.99Å; L2800-Y2804 WeakPolarHBondContact O-CD2 3.41Å; L2800-Y2804 PolarHBondContact O-N 3.34Å; D2801-Y2804 PolarHBondContact O-N 3.33Å; L2802-Y2804 VanDerWaalsContact C-N 3.29Å; L2802-Y2804 PolarHBondContact O-N 2.97Å; Y2804-A2837 WeakPolarHBondContact OH-CA 2.85Å; Y2804-R2840 HydrophobicContact CE1-CB 4.09Å; Y2804-R2840 WeakPolarHBondContact OH-CD 3.44Å; Y2804-L2841 HydrophobicContact CD1-CD2 4.36Å; Y2804-L2841 HydrophobicContact CE1-CD2 4.05Å; Y2804-L2841 HydrophobicContact CE1-CG 4.29Å; Y2804-K2868 PolarHBondContact O-NZ 3.31Å |
| 2805 | E | 89.6 | Confident | 90.1 | Very high | 50 Ų | 50 | 40.7 Ų | 40.7 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -61.9 | 144.4 | 174.6 | -73.2 | 177.9 | 179.1 | 0 | 0 | 112.5 | D2801 L2802 F2803 I2807 F2808 K2868 | D2801-E2805 PolarHBondContact O-N 3.28Å; L2802-E2805 WeakPolarHBondContact O-CB 3.28Å; L2802-E2805 PolarHBondContact O-N 3.05Å; F2803-E2805 VanDerWaalsContact C-N 3.34Å; E2805-I2807 VanDerWaalsContact C-N 3.31Å; E2805-I2807 HydrophobicContact CB-CG1 4.39Å; E2805-I2807 PolarHBondContact O-N 3.43Å; E2805-F2808 WeakPolarHBondContact O-CB 3.47Å; E2805-F2808 PolarHBondContact O-N 3.38Å; E2805-K2868 WeakPolarHBondContact O-CE 3.35Å; E2805-K2868 PolarHBondContact O-NZ 3.27Å |
| 2806 | P | 87.3 | Confident | 89.9 | Confident | 110 Ų | 110 | 40.9 Ų | 40.9 | 71% | 0.714 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -33.6 | 178.1 | 25.7 | -33.2 | 0 | 0 | 0 | 112.3 | F2808 | P2806-F2808 PolarHBondContact O-N 3.47Š|
| 2807 | I | 89.6 | Confident | 89.8 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 30% | 0.297 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 11.1 | -179.7 | 62.8 | 175.9 | 0 | 0 | 0 | 113.6 | R2767 E2805 F2809 Q2810 | R2767-I2807 HydrophobicContact CB-CD1 4.2Å; R2767-I2807 HydrophobicContact CG-CD1 3.61Å; R2767-I2807 HydrophobicContact CG-CG1 4.11Å; E2805-I2807 VanDerWaalsContact C-N 3.31Å; E2805-I2807 HydrophobicContact CB-CG1 4.39Å; E2805-I2807 PolarHBondContact O-N 3.43Å; I2807-F2809 PolarHBondContact O-N 3.4Å; I2807-F2809 VanDerWaalsContact O-N 3.14Å; I2807-Q2810 HydrophobicContact CB-CG 4.36Å; I2807-Q2810 WeakPolarHBondContact O-CB 3.33Å; I2807-Q2810 PolarHBondContact O-N 3.27Å |
| 2808 | F | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -44 | -173.2 | 172.9 | -105.9 | 0 | 0 | 0 | 112.5 | R2767 L2802 F2803 E2805 P2806 Q2810 M2811 W2819 Y2871 | R2767-F2808 PolarHBondContact NH1-O 2.88Å; R2767-F2808 PolarHBondContact NH2-O 3.5Å; L2802-F2808 VanDerWaalsContact O-CD2 3.27Å; L2802-F2808 WeakPolarHBondContact O-CD2 3.12Å; F2803-F2808 HydrophobicContact CB-CE2 4.44Å; F2803-F2808 HydrophobicContact CD2-CD1 4.19Å; F2803-F2808 HydrophobicContact CD2-CD2 4.5Å; F2803-F2808 AromaticContact CD2-CE1 3.86Å; F2803-F2808 HydrophobicContact CD2-CE1 3.86Å; F2803-F2808 HydrophobicContact CD2-CE2 4.18Å; F2803-F2808 HydrophobicContact CD2-CG 4.5Å; F2803-F2808 AromaticContact CD2-CZ 3.85Å; F2803-F2808 HydrophobicContact CD2-CZ 3.85Å; F2803-F2808 HydrophobicContact CE2-CE1 4.23Å; E2805-F2808 WeakPolarHBondContact O-CB 3.47Å; E2805-F2808 PolarHBondContact O-N 3.38Å; P2806-F2808 PolarHBondContact O-N 3.47Å; F2808-Q2810 VanDerWaalsContact C-N 3.29Å; F2808-Q2810 PolarHBondContact O-N 2.91Å; F2808-M2811 HydrophobicContact CD2-CE 4.28Å; F2808-M2811 HydrophobicContact CE1-CE 4.36Å; F2808-M2811 HydrophobicContact CE2-CE 4Å; F2808-M2811 HydrophobicContact CZ-CE 4.04Å; F2808-M2811 WeakPolarHBondContact O-CE 3.25Å; F2808-W2819 HydrophobicContact CE2-CD2 4.01Å; F2808-W2819 AromaticContact CE2-CE3 3.67Å; F2808-W2819 HydrophobicContact CE2-CE3 3.67Å; F2808-W2819 HydrophobicContact CE2-CH2 4.2Å; F2808-W2819 AromaticContact CE2-CZ3 3.75Å; F2808-W2819 HydrophobicContact CE2-CZ3 3.75Å; F2808-W2819 HydrophobicContact CZ-CD2 4.21Å; F2808-W2819 AromaticContact CZ-CE3 3.9Å; F2808-W2819 HydrophobicContact CZ-CE3 3.9Å; F2808-W2819 HydrophobicContact CZ-CZ3 4.38Å; F2808-Y2871 AromaticContact CE1-CD1 3.76Å; F2808-Y2871 HydrophobicContact CE1-CD1 3.76Å; F2808-Y2871 AromaticContact CE1-CE1 3.62Å; F2808-Y2871 HydrophobicContact CE1-CE1 3.62Å; F2808-Y2871 HydrophobicContact CZ-CD1 4.29Å; F2808-Y2871 AromaticContact CZ-CE1 3.76Å; F2808-Y2871 HydrophobicContact CZ-CE1 3.76Å |
| 2809 | F | 92 | Very high | 90 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.9 | -176.3 | -67.9 | -65 | 0 | 0 | 0 | 115.1 | I2807 M2811 K2867 K2868 Y2871 F3137 E3139 | I2807-F2809 PolarHBondContact O-N 3.4Å; I2807-F2809 VanDerWaalsContact O-N 3.14Å; F2809-M2811 VanDerWaalsContact C-N 3.29Å; F2809-M2811 PolarHBondContact O-N 3.26Å; F2809-K2867 HydrophobicContact CD2-CD 3.94Å; F2809-K2867 HydrophobicContact CD2-CG 4.34Å; F2809-K2867 HydrophobicContact CE2-CB 4.29Å; F2809-K2867 HydrophobicContact CE2-CD 3.79Å; F2809-K2867 HydrophobicContact CE2-CG 3.68Å; F2809-K2867 HydrophobicContact CZ-CD 4.42Å; F2809-K2867 HydrophobicContact CZ-CG 3.96Å; F2809-K2868 HydrophobicContact CE2-CG 3.92Å; F2809-K2868 HydrophobicContact CZ-CG 4.22Å; F2809-Y2871 HydrophobicContact CE1-CD1 4.16Å; F2809-Y2871 HydrophobicContact CE1-CD2 4.06Å; F2809-Y2871 AromaticContact CE1-CG 3.72Å; F2809-Y2871 HydrophobicContact CE1-CG 3.72Å; F2809-Y2871 HydrophobicContact CZ-CG 4.19Å; F2809-F3137 WeakPolarHBondContact CB-O 3.21Å; F2809-F3137 HydrophobicContact CD1-CB 3.97Å; F2809-F3137 HydrophobicContact CD1-CD1 4.5Å; F2809-F3137 HydrophobicContact CE1-CB 4.05Å; F2809-F3137 AromaticContact CE1-CD1 3.82Å; F2809-F3137 HydrophobicContact CE1-CD1 3.82Å; F2809-F3137 HydrophobicContact CE1-CG 4.32Å; F2809-F3137 HydrophobicContact CZ-CD1 4.25Å; F2809-E3139 HydrophobicContact CB-CB 4.29Å; F2809-E3139 HydrophobicContact CB-CG 3.88Å; F2809-E3139 PolarHBondContact O-N 3.01Å |
| 2810 | Q | 89.8 | Confident | 90 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | trans | -75.3 | 79.1 | 175.7 | -64.2 | -179.8 | 2.5 | 0 | 0 | 110.6 | R2767 I2807 F2808 E3139 I3141 | R2767-Q2810 HydrophobicContact CB-CB 4.44Å; R2767-Q2810 PolarHBondContact NH1-O 3.37Å; I2807-Q2810 HydrophobicContact CB-CG 4.36Å; I2807-Q2810 WeakPolarHBondContact O-CB 3.33Å; I2807-Q2810 PolarHBondContact O-N 3.27Å; F2808-Q2810 VanDerWaalsContact C-N 3.29Å; F2808-Q2810 PolarHBondContact O-N 2.91Å; Q2810-E3139 HydrophobicContact CG-CB 4.07Å; Q2810-I3141 HydrophobicContact CB-CG1 4.4Å | ||
| 2811 | M | 87.8 | Confident | 90.1 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -154 | 164.7 | -178.5 | 64.8 | 174.9 | 84.3 | 0 | 0 | 112.1 | F2775 F2808 F2809 A2815 L2816 W2819 | F2775-M2811 HydrophobicContact CD1-CB 4.22Å; F2775-M2811 HydrophobicContact CE1-CB 3.53Å; F2775-M2811 HydrophobicContact CE1-CE 4.39Å; F2775-M2811 HydrophobicContact CE1-CG 4.44Å; F2775-M2811 HydrophobicContact CE1-SD 4.11Å; F2775-M2811 HydrophobicContact CZ-CB 4.15Å; F2775-M2811 HydrophobicContact CZ-CE 4.15Å; F2775-M2811 HydrophobicContact CZ-SD 4.46Å; F2808-M2811 HydrophobicContact CD2-CE 4.28Å; F2808-M2811 HydrophobicContact CE1-CE 4.36Å; F2808-M2811 HydrophobicContact CE2-CE 4Å; F2808-M2811 HydrophobicContact CZ-CE 4.04Å; F2808-M2811 WeakPolarHBondContact O-CE 3.25Å; F2809-M2811 VanDerWaalsContact C-N 3.29Å; F2809-M2811 PolarHBondContact O-N 3.26Å; M2811-A2815 HydrophobicContact CB-CB 4.3Å; M2811-A2815 HydrophobicContact SD-CB 4.21Å; M2811-L2816 HydrophobicContact CE-CD1 4.44Å; M2811-L2816 HydrophobicContact CG-CD1 4.34Å; M2811-L2816 HydrophobicContact SD-CB 4.14Å; M2811-L2816 HydrophobicContact SD-CD1 3.75Å; M2811-W2819 HydrophobicContact CE-CD2 4.48Å; M2811-W2819 HydrophobicContact CE-CG 4.12Å; M2811-W2819 VanDerWaalsContact SD-CD1 3.54Å; M2811-W2819 HydrophobicContact SD-CG 4.15Å |
| 2812 | S | 84.5 | Confident | 90.2 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | trans | -68.7 | 151.7 | 173.3 | 74.8 | 0 | 0 | 0 | 0 | 111.5 | T2776 V2814 A2815 L2816 | T2776-S2812 PolarHBondContact OG1-OG 3.32Å; T2776-S2812 VanDerWaalsContact OG1-OG 3.12Å; S2812-V2814 PolarHBondContact O-N 2.95Å; S2812-A2815 WeakPolarHBondContact O-CB 3.23Å; S2812-A2815 PolarHBondContact O-N 3.05Å; S2812-A2815 VanDerWaalsContact O-N 3.11Å; S2812-A2815 WeakPolarHBondContact OG-CB 3.4Å; S2812-A2815 PolarHBondContact OG-N 3.34Å; S2812-A2815 VanDerWaalsContact OG-N 3.14Å; S2812-L2816 PolarHBondContact O-N 3.31Å | ||
| 2813 | P | 83 | Confident | 90.3 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 53% | 0.532 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.1 | -29.2 | 176.3 | 24.3 | -34.1 | 0 | 0 | 0 | 112.9 | L2816 Q2817 P3138 | P2813-L2816 WeakPolarHBondContact O-CB 3.25Å; P2813-L2816 PolarHBondContact O-N 3.19Å; P2813-Q2817 PolarHBondContact O-N 3.03Å; P2813-Q2817 VanDerWaalsContact O-N 3.15Å; P2813-P3138 HydrophobicContact CB-CG 4.42Å |
| 2814 | V | 84.3 | Confident | 90.2 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.1 | -39.8 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 111 | T2776 S2812 L2816 Q2817 | T2776-V2814 HydrophobicContact CG2-CB 4.28Å; T2776-V2814 HydrophobicContact CG2-CG1 4.01Å; S2812-V2814 PolarHBondContact O-N 2.95Å; V2814-L2816 VanDerWaalsContact C-N 3.31Å; V2814-Q2817 PolarHBondContact O-N 2.99Å |
| 2815 | A | 89.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F2775 T2776 M2811 S2812 Q2817 S2818 W2819 | F2775-A2815 HydrophobicContact CD1-CB 3.9Å; F2775-A2815 HydrophobicContact CE1-CB 3.75Å; T2776-A2815 HydrophobicContact CG2-CB 4.35Å; M2811-A2815 HydrophobicContact CB-CB 4.3Å; M2811-A2815 HydrophobicContact SD-CB 4.21Å; S2812-A2815 WeakPolarHBondContact O-CB 3.23Å; S2812-A2815 PolarHBondContact O-N 3.05Å; S2812-A2815 VanDerWaalsContact O-N 3.11Å; S2812-A2815 WeakPolarHBondContact OG-CB 3.4Å; S2812-A2815 PolarHBondContact OG-N 3.34Å; S2812-A2815 VanDerWaalsContact OG-N 3.14Å; A2815-Q2817 VanDerWaalsContact C-N 3.3Å; A2815-Q2817 PolarHBondContact O-N 2.94Å; A2815-S2818 WeakPolarHBondContact O-CA 3.4Å; A2815-S2818 VanDerWaalsContact O-CB 3.31Å; A2815-S2818 WeakPolarHBondContact O-CB 3.36Å; A2815-S2818 PolarHBondContact O-N 2.72Å; A2815-W2819 VanDerWaalsContact O-CD1 3.28Å; A2815-W2819 PolarHBondContact O-N 2.92Å |
| 2816 | L | 90.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -40 | 177.7 | -163.9 | 77.7 | 0 | 0 | 0 | 112.4 | M2811 S2812 P2813 V2814 S2818 W2819 N2820 Y2871 F3137 P3138 | M2811-L2816 HydrophobicContact CE-CD1 4.44Å; M2811-L2816 HydrophobicContact CG-CD1 4.34Å; M2811-L2816 HydrophobicContact SD-CB 4.14Å; M2811-L2816 HydrophobicContact SD-CD1 3.75Å; S2812-L2816 PolarHBondContact O-N 3.31Å; P2813-L2816 WeakPolarHBondContact O-CB 3.25Å; P2813-L2816 PolarHBondContact O-N 3.19Å; V2814-L2816 VanDerWaalsContact C-N 3.31Å; L2816-S2818 VanDerWaalsContact C-N 3.26Å; L2816-S2818 PolarHBondContact O-N 3.3Å; L2816-W2819 CarbonylContact O-C 3.25Å; L2816-W2819 WeakPolarHBondContact O-CA 3.38Å; L2816-W2819 WeakPolarHBondContact O-CB 3.49Å; L2816-W2819 PolarHBondContact O-N 3.35Å; L2816-N2820 PolarHBondContact O-N 2.92Å; L2816-N2820 PolarHBondContact O-OD1 3.02Å; L2816-Y2871 HydrophobicContact CD1-CD2 4.39Å; L2816-Y2871 HydrophobicContact CD1-CE2 3.49Å; L2816-Y2871 VanDerWaalsContact CD1-CE2 3.49Å; L2816-Y2871 WeakPolarHBondContact CD1-OH 3.33Å; L2816-Y2871 HydrophobicContact CD2-CE2 4.12Å; L2816-Y2871 HydrophobicContact CG-CE2 3.79Å; L2816-Y2871 PolarHBondContact O-OH 2.73Å; L2816-F3137 HydrophobicContact CD1-CB 4.46Å; L2816-F3137 HydrophobicContact CD2-CB 3.83Å; L2816-P3138 HydrophobicContact CD2-CG 3.94Å |
| 2817 | Q | 91 | Very high | 90.6 | Very high | 131 Ų | 131 | 29.4 Ų | 29.4 | 61% | 0.612 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -58.5 | -38.5 | 174.1 | -69.3 | 175.3 | -4.4 | 0 | 0 | 112.6 | P2813 V2814 A2815 N2820 | P2813-Q2817 PolarHBondContact O-N 3.03Å; P2813-Q2817 VanDerWaalsContact O-N 3.15Å; V2814-Q2817 PolarHBondContact O-N 2.99Å; A2815-Q2817 VanDerWaalsContact C-N 3.3Å; A2815-Q2817 PolarHBondContact O-N 2.94Å; Q2817-N2820 PolarHBondContact O-N 2.92Å |
| 2818 | S | 92.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68 | -39.4 | 174.6 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | K2780 A2815 L2816 N2820 L2821 I2822 | K2780-S2818 WeakPolarHBondContact CG-OG 3.33Å; A2815-S2818 WeakPolarHBondContact O-CA 3.4Å; A2815-S2818 VanDerWaalsContact O-CB 3.31Å; A2815-S2818 WeakPolarHBondContact O-CB 3.36Å; A2815-S2818 PolarHBondContact O-N 2.72Å; L2816-S2818 VanDerWaalsContact C-N 3.26Å; L2816-S2818 PolarHBondContact O-N 3.3Å; S2818-N2820 VanDerWaalsContact C-N 3.33Å; S2818-N2820 PolarHBondContact O-N 3.43Å; S2818-L2821 PolarHBondContact O-N 3.2Å; S2818-I2822 VanDerWaalsContact O-CG1 3.3Å; S2818-I2822 WeakPolarHBondContact O-CG1 3.27Å; S2818-I2822 PolarHBondContact O-N 3.43Å; S2818-I2822 VanDerWaalsContact O-N 3.08Å |
| 2819 | W | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.9 | -27.4 | 175.8 | -80.8 | 95.9 | 0 | 0 | 0 | 114 | F2775 S2779 V2799 L2802 F2808 M2811 A2815 L2816 L2821 I2822 I2823 Y2871 | F2775-W2819 AromaticContact CE1-NE1 3.85Å; F2775-W2819 AromaticContact CZ-NE1 3.61Å; S2779-W2819 PolarHBondContact OG-NE1 2.95Å; V2799-W2819 HydrophobicContact CG1-CH2 4.36Å; V2799-W2819 HydrophobicContact CG1-CZ3 3.8Å; L2802-W2819 HydrophobicContact CB-CH2 3.92Å; L2802-W2819 HydrophobicContact CD1-CH2 3.84Å; L2802-W2819 HydrophobicContact CD1-CZ2 4.17Å; F2808-W2819 HydrophobicContact CE2-CD2 4.01Å; F2808-W2819 AromaticContact CE2-CE3 3.67Å; F2808-W2819 HydrophobicContact CE2-CE3 3.67Å; F2808-W2819 HydrophobicContact CE2-CH2 4.2Å; F2808-W2819 AromaticContact CE2-CZ3 3.75Å; F2808-W2819 HydrophobicContact CE2-CZ3 3.75Å; F2808-W2819 HydrophobicContact CZ-CD2 4.21Å; F2808-W2819 AromaticContact CZ-CE3 3.9Å; F2808-W2819 HydrophobicContact CZ-CE3 3.9Å; F2808-W2819 HydrophobicContact CZ-CZ3 4.38Å; M2811-W2819 HydrophobicContact CE-CD2 4.48Å; M2811-W2819 HydrophobicContact CE-CG 4.12Å; M2811-W2819 VanDerWaalsContact SD-CD1 3.54Å; M2811-W2819 HydrophobicContact SD-CG 4.15Å; A2815-W2819 VanDerWaalsContact O-CD1 3.28Å; A2815-W2819 PolarHBondContact O-N 2.92Å; L2816-W2819 CarbonylContact O-C 3.25Å; L2816-W2819 WeakPolarHBondContact O-CA 3.38Å; L2816-W2819 WeakPolarHBondContact O-CB 3.49Å; L2816-W2819 PolarHBondContact O-N 3.35Å; W2819-L2821 VanDerWaalsContact C-N 3.34Å; W2819-I2822 HydrophobicContact CD2-CD1 4.05Å; W2819-I2822 HydrophobicContact CE3-CB 4.28Å; W2819-I2822 HydrophobicContact CE3-CD1 4.24Å; W2819-I2822 HydrophobicContact CE3-CG2 4.13Å; W2819-I2822 HydrophobicContact CG-CD1 4.33Å; W2819-I2822 HydrophobicContact CZ3-CG2 4.19Å; W2819-I2822 PolarHBondContact O-N 2.75Å; W2819-I2823 HydrophobicContact CE3-CD1 4.25Å; W2819-I2823 HydrophobicContact CE3-CG1 4.41Å; W2819-I2823 HydrophobicContact CZ3-CD1 4.46Å; W2819-I2823 WeakPolarHBondContact O-CB 3.27Å; W2819-I2823 WeakPolarHBondContact O-CG1 3.41Å; W2819-I2823 PolarHBondContact O-N 2.99Å; W2819-Y2871 VanDerWaalsContact C-OH 3.26Å; W2819-Y2871 WeakPolarHBondContact CB-OH 3.37Å |
| 2820 | N | 93.5 | Very high | 89.9 | Confident | 28 Ų | 28 | 33 Ų | 33 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.5 | -50.1 | 171.1 | -70.4 | -16.3 | 0 | 0 | 0 | 109.9 | L2816 Q2817 S2818 I2822 I2823 D2824 Y2871 A2875 | L2816-N2820 PolarHBondContact O-N 2.92Å; L2816-N2820 PolarHBondContact O-OD1 3.02Å; Q2817-N2820 PolarHBondContact O-N 2.92Å; S2818-N2820 VanDerWaalsContact C-N 3.33Å; S2818-N2820 PolarHBondContact O-N 3.43Å; N2820-I2822 VanDerWaalsContact C-N 3.34Å; N2820-I2822 PolarHBondContact O-N 3.44Å; N2820-I2823 PolarHBondContact O-N 3.41Å; N2820-D2824 WeakPolarHBondContact O-CB 3.39Å; N2820-D2824 PolarHBondContact O-N 3.39Å; N2820-Y2871 PolarHBondContact N-OH 2.93Å; N2820-Y2871 VanDerWaalsContact OD1-CE2 3.22Å; N2820-Y2871 WeakPolarHBondContact OD1-CE2 3.41Å; N2820-Y2871 PolarHBondContact OD1-OH 3.17Å; N2820-Y2871 VanDerWaalsContact OD1-OH 3.07Å; N2820-A2875 HydrophobicContact CB-CB 4.22Å |
| 2821 | L | 93 | Very high | 89.6 | Confident | 102 Ų | 102 | 40.8 Ų | 40.8 | 53% | 0.534 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 176.5 | -65.2 | 172.8 | 0 | 0 | 0 | 112.1 | A2783 S2818 W2819 N2825 | A2783-L2821 HydrophobicContact CB-CB 4.4Å; S2818-L2821 PolarHBondContact O-N 3.2Å; W2819-L2821 VanDerWaalsContact C-N 3.34Å; L2821-N2825 VanDerWaalsContact O-CB 3.29Å; L2821-N2825 WeakPolarHBondContact O-CB 3.43Å; L2821-N2825 VanDerWaalsContact O-CG 3.26Å; L2821-N2825 PolarHBondContact O-N 3.01Å; L2821-N2825 PolarHBondContact O-ND2 2.85Å |
| 2822 | I | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -47.6 | 179.3 | -64.2 | 165 | 0 | 0 | 0 | 111.1 | I2782 A2783 V2799 S2818 W2819 N2820 N2825 L2826 | I2782-I2822 HydrophobicContact CB-CD1 3.77Å; I2782-I2822 HydrophobicContact CB-CG1 4.41Å; I2782-I2822 HydrophobicContact CG2-CD1 3.65Å; I2782-I2822 HydrophobicContact CG2-CG1 3.94Å; I2782-I2822 HydrophobicContact CG2-CG2 4.17Å; A2783-I2822 HydrophobicContact CB-CD1 4.27Å; A2783-I2822 HydrophobicContact CB-CG1 3.94Å; V2799-I2822 HydrophobicContact CG1-CG2 3.51Å; V2799-I2822 HydrophobicContact CG2-CG2 4.28Å; S2818-I2822 VanDerWaalsContact O-CG1 3.3Å; S2818-I2822 WeakPolarHBondContact O-CG1 3.27Å; S2818-I2822 PolarHBondContact O-N 3.43Å; S2818-I2822 VanDerWaalsContact O-N 3.08Å; W2819-I2822 HydrophobicContact CD2-CD1 4.05Å; W2819-I2822 HydrophobicContact CE3-CB 4.28Å; W2819-I2822 HydrophobicContact CE3-CD1 4.24Å; W2819-I2822 HydrophobicContact CE3-CG2 4.13Å; W2819-I2822 HydrophobicContact CG-CD1 4.33Å; W2819-I2822 HydrophobicContact CZ3-CG2 4.19Å; W2819-I2822 PolarHBondContact O-N 2.75Å; N2820-I2822 VanDerWaalsContact C-N 3.34Å; N2820-I2822 PolarHBondContact O-N 3.44Å; I2822-N2825 PolarHBondContact O-N 3.34Å; I2822-L2826 WeakPolarHBondContact O-CB 3.32Å; I2822-L2826 PolarHBondContact O-N 3.25Å |
| 2823 | I | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -40.2 | -179.1 | -67.2 | -52.7 | 0 | 0 | 0 | 110.5 | F2803 W2819 N2820 L2826 M2827 Y2871 L2872 A2875 | F2803-I2823 HydrophobicContact CB-CD1 4.38Å; F2803-I2823 HydrophobicContact CD2-CD1 3.95Å; F2803-I2823 HydrophobicContact CG-CD1 4.2Å; W2819-I2823 HydrophobicContact CE3-CD1 4.25Å; W2819-I2823 HydrophobicContact CE3-CG1 4.41Å; W2819-I2823 HydrophobicContact CZ3-CD1 4.46Å; W2819-I2823 WeakPolarHBondContact O-CB 3.27Å; W2819-I2823 WeakPolarHBondContact O-CG1 3.41Å; W2819-I2823 PolarHBondContact O-N 2.99Å; N2820-I2823 PolarHBondContact O-N 3.41Å; I2823-L2826 HydrophobicContact CD1-CD2 4.06Å; I2823-L2826 WeakPolarHBondContact O-CB 3.44Å; I2823-L2826 PolarHBondContact O-N 2.89Å; I2823-M2827 HydrophobicContact CG2-CE 4.49Å; I2823-M2827 HydrophobicContact CG2-CG 4.43Å; I2823-M2827 VanDerWaalsContact O-CG 3.31Å; I2823-M2827 WeakPolarHBondContact O-CG 3.12Å; I2823-M2827 PolarHBondContact O-N 3.14Å; I2823-Y2871 HydrophobicContact CG1-CD1 4.46Å; I2823-Y2871 HydrophobicContact CG1-CE1 3.8Å; I2823-L2872 HydrophobicContact CG2-CG 4.34Å; I2823-A2875 HydrophobicContact CB-CB 4.09Å; I2823-A2875 HydrophobicContact CG2-CB 4.05Å |
| 2824 | D | 92.6 | Very high | 89.9 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -51.7 | 174.8 | -175.8 | 41.7 | 0 | 0 | 0 | 111.2 | N2820 L2826 M2827 T2828 Q2880 | N2820-D2824 WeakPolarHBondContact O-CB 3.39Å; N2820-D2824 PolarHBondContact O-N 3.39Å; D2824-L2826 VanDerWaalsContact C-N 3.25Å; D2824-L2826 PolarHBondContact O-N 3.41Å; D2824-M2827 PolarHBondContact O-N 2.89Å; D2824-T2828 WeakPolarHBondContact O-CB 3.28Å; D2824-T2828 WeakPolarHBondContact O-CG2 3.43Å; D2824-T2828 PolarHBondContact O-N 3.45Å; D2824-T2828 PolarHBondContact O-OG1 3.24Å; D2824-T2828 WeakPolarHBondContact OD1-CG2 3.44Å; D2824-Q2880 PolarHBondContact OD1-NE2 3.09Å; D2824-Q2880 PolarHBondContact OD1-OE1 3.18Å |
| 2825 | N | 92.8 | Very high | 90.1 | Very high | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58 | -37.3 | 174.1 | -75.1 | -37.7 | 0 | 0 | 0 | 112.7 | S2786 S2787 R2792 W2795 L2821 I2822 M2827 T2828 Q2829 | S2786-N2825 PolarHBondContact OG-ND2 3.08Å; S2787-N2825 WeakPolarHBondContact CA-ND2 3.38Å; S2787-N2825 PolarHBondContact N-ND2 3.06Å; R2792-N2825 PolarHBondContact NH1-O 3.28Å; W2795-N2825 HydrophobicContact CH2-CB 4.44Å; L2821-N2825 VanDerWaalsContact O-CB 3.29Å; L2821-N2825 WeakPolarHBondContact O-CB 3.43Å; L2821-N2825 VanDerWaalsContact O-CG 3.26Å; L2821-N2825 PolarHBondContact O-N 3.01Å; L2821-N2825 PolarHBondContact O-ND2 2.85Å; I2822-N2825 PolarHBondContact O-N 3.34Å; N2825-M2827 VanDerWaalsContact C-N 3.27Å; N2825-M2827 PolarHBondContact O-N 3.31Å; N2825-T2828 WeakPolarHBondContact CA-OG1 3.48Å; N2825-Q2829 WeakPolarHBondContact O-CB 3.23Å; N2825-Q2829 VanDerWaalsContact O-CG 3.23Å; N2825-Q2829 WeakPolarHBondContact O-CG 3.49Å; N2825-Q2829 PolarHBondContact O-N 3.05Å |
| 2826 | L | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -36.5 | 175.6 | 178.6 | 64.8 | 0 | 0 | 0 | 110.9 | R2792 W2795 R2796 V2799 L2800 I2822 I2823 D2824 T2833 | R2792-L2826 VanDerWaalsContact CZ-O 3.26Å; R2792-L2826 PolarHBondContact NH1-O 2.91Å; R2792-L2826 PolarHBondContact NH2-O 3.38Å; W2795-L2826 HydrophobicContact CH2-CB 4.43Å; W2795-L2826 HydrophobicContact CZ3-CB 4.12Å; W2795-L2826 HydrophobicContact CZ3-CD1 3.93Å; R2796-L2826 HydrophobicContact CG-CD1 3.8Å; V2799-L2826 HydrophobicContact CG1-CD2 4.08Å; L2800-L2826 HydrophobicContact CD2-CD1 4.31Å; L2800-L2826 HydrophobicContact CD2-CD2 3.64Å; L2800-L2826 HydrophobicContact CD2-CG 4.37Å; L2800-L2826 HydrophobicContact CG-CD1 4.08Å; L2800-L2826 HydrophobicContact CG-CD2 4.03Å; I2822-L2826 WeakPolarHBondContact O-CB 3.32Å; I2822-L2826 PolarHBondContact O-N 3.25Å; I2823-L2826 HydrophobicContact CD1-CD2 4.06Å; I2823-L2826 WeakPolarHBondContact O-CB 3.44Å; I2823-L2826 PolarHBondContact O-N 2.89Å; D2824-L2826 VanDerWaalsContact C-N 3.25Å; D2824-L2826 PolarHBondContact O-N 3.41Å; L2826-T2833 HydrophobicContact CD1-CG2 4.31Å; L2826-T2833 HydrophobicContact CG-CG2 4.26Å |
| 2827 | M | 90.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -91.6 | -37 | -177.8 | -59.4 | -58.7 | 158.9 | 0 | 0 | 113.6 | I2823 D2824 N2825 T2833 F2834 A2837 L2872 Y2881 | I2823-M2827 HydrophobicContact CG2-CE 4.49Å; I2823-M2827 HydrophobicContact CG2-CG 4.43Å; I2823-M2827 VanDerWaalsContact O-CG 3.31Å; I2823-M2827 WeakPolarHBondContact O-CG 3.12Å; I2823-M2827 PolarHBondContact O-N 3.14Å; D2824-M2827 PolarHBondContact O-N 2.89Å; N2825-M2827 VanDerWaalsContact C-N 3.27Å; N2825-M2827 PolarHBondContact O-N 3.31Å; M2827-T2833 HydrophobicContact CE-CG2 4.4Å; M2827-T2833 HydrophobicContact SD-CG2 3.86Å; M2827-F2834 HydrophobicContact SD-CB 4.46Å; M2827-A2837 HydrophobicContact CE-CB 4.26Å; M2827-A2837 HydrophobicContact SD-CB 4.48Å; M2827-L2872 HydrophobicContact CE-CD1 3.54Å; M2827-L2872 HydrophobicContact CE-CG 4.14Å; M2827-L2872 HydrophobicContact CG-CD1 4.39Å; M2827-L2872 HydrophobicContact CG-CD2 4.35Å; M2827-L2872 HydrophobicContact CG-CG 4.21Å; M2827-L2872 HydrophobicContact SD-CD1 4.02Å; M2827-L2872 HydrophobicContact SD-CG 4.49Å; M2827-Y2881 WeakPolarHBondContact CB-OH 3.2Å; M2827-Y2881 WeakPolarHBondContact CG-OH 3.44Å |
| 2828 | T | 85.8 | Confident | 89.5 | Confident | 62 Ų | 62 | 41.5 Ų | 41.5 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.4 | -42.4 | -176.5 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | D2824 N2825 D2830 | D2824-T2828 WeakPolarHBondContact O-CB 3.28Å; D2824-T2828 WeakPolarHBondContact O-CG2 3.43Å; D2824-T2828 PolarHBondContact O-N 3.45Å; D2824-T2828 PolarHBondContact O-OG1 3.24Å; D2824-T2828 WeakPolarHBondContact OD1-CG2 3.44Å; N2825-T2828 WeakPolarHBondContact CA-OG1 3.48Å; T2828-D2830 PolarHBondContact O-N 3.12Å; T2828-D2830 VanDerWaalsContact O-N 3.15Å |
| 2829 | Q | 86.5 | Confident | 89.2 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -11.7 | -172.5 | -65.4 | 173 | -1.2 | 0 | 0 | 113.5 | S2786 Q2789 N2825 | S2786-Q2829 PolarHBondContact O-NE2 3.38Å; Q2789-Q2829 HydrophobicContact CB-CG 4.43Å; Q2789-Q2829 HydrophobicContact CG-CB 4.19Å; Q2789-Q2829 HydrophobicContact CG-CG 4.17Å; N2825-Q2829 WeakPolarHBondContact O-CB 3.23Å; N2825-Q2829 VanDerWaalsContact O-CG 3.23Å; N2825-Q2829 WeakPolarHBondContact O-CG 3.49Å; N2825-Q2829 PolarHBondContact O-N 3.05Å |
| 2830 | D | 86 | Confident | 88.6 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | trans | -148.6 | 112 | 176.9 | 172.4 | 13.7 | 0 | 0 | 0 | 112.1 | R2796 T2828 S2832 T2833 | R2796-D2830 IonicContact CZ-OD2 3.54Å; R2796-D2830 IonicContact NH1-OD2 3.69Å; R2796-D2830 PolarHBondContact NH1-OD2 2.9Å; R2796-D2830 IonicContact NH2-OD2 3.42Å; T2828-D2830 PolarHBondContact O-N 3.12Å; T2828-D2830 VanDerWaalsContact O-N 3.15Å; D2830-S2832 VanDerWaalsContact CG-OG 3.24Å; D2830-S2832 PolarHBondContact O-N 2.83Å; D2830-S2832 PolarHBondContact OD1-N 3Å; D2830-S2832 PolarHBondContact OD1-OG 3.46Å; D2830-S2832 PolarHBondContact OD2-OG 2.82Å; D2830-S2832 VanDerWaalsContact OD2-OG 3.04Å; D2830-T2833 WeakPolarHBondContact CB-OG1 3.47Å; D2830-T2833 WeakPolarHBondContact O-CB 3.37Å; D2830-T2833 PolarHBondContact O-N 2.89Å; D2830-T2833 PolarHBondContact O-OG1 3.27Å; D2830-T2833 PolarHBondContact OD2-OG1 3.49Å | ||
| 2831 | K | 82.4 | Confident | 88 | Confident | 202 Ų | 202 | 49.5 Ų | 49.5 | 88% | 0.878 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -55.7 | -24.4 | -178.8 | -61.8 | -179.1 | -178.8 | 176.7 | 0 | 114.2 | ||
| 2832 | S | 87.1 | Confident | 87 | Confident | 64 Ų | 64 | 46.6 Ų | 46.6 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -83.4 | -22.5 | -179.3 | 70.3 | 0 | 0 | 0 | 0 | 113.7 | D2830 F2834 K2835 E2836 | D2830-S2832 VanDerWaalsContact CG-OG 3.24Å; D2830-S2832 PolarHBondContact O-N 2.83Å; D2830-S2832 PolarHBondContact OD1-N 3Å; D2830-S2832 PolarHBondContact OD1-OG 3.46Å; D2830-S2832 PolarHBondContact OD2-OG 2.82Å; D2830-S2832 VanDerWaalsContact OD2-OG 3.04Å; S2832-F2834 PolarHBondContact O-N 3.28Å; S2832-K2835 PolarHBondContact O-N 3.43Å; S2832-E2836 WeakPolarHBondContact O-CB 3.5Å; S2832-E2836 PolarHBondContact O-N 3.31Å |
| 2833 | T | 87.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -38.7 | -172.8 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | R2792 R2796 L2826 M2827 D2830 E2836 A2837 | R2792-T2833 PolarHBondContact NH2-OG1 2.95Å; R2796-T2833 VanDerWaalsContact CZ-OG1 3.32Å; R2796-T2833 PolarHBondContact NH1-OG1 2.97Å; R2796-T2833 PolarHBondContact NH2-OG1 3.47Å; L2826-T2833 HydrophobicContact CD1-CG2 4.31Å; L2826-T2833 HydrophobicContact CG-CG2 4.26Å; M2827-T2833 HydrophobicContact CE-CG2 4.4Å; M2827-T2833 HydrophobicContact SD-CG2 3.86Å; D2830-T2833 WeakPolarHBondContact CB-OG1 3.47Å; D2830-T2833 WeakPolarHBondContact O-CB 3.37Å; D2830-T2833 PolarHBondContact O-N 2.89Å; D2830-T2833 PolarHBondContact O-OG1 3.27Å; D2830-T2833 PolarHBondContact OD2-OG1 3.49Å; T2833-E2836 WeakPolarHBondContact O-CB 3.43Å; T2833-E2836 PolarHBondContact O-N 3Å; T2833-A2837 WeakPolarHBondContact O-CB 3.46Å; T2833-A2837 PolarHBondContact O-N 3.4Å |
| 2834 | F | 87.9 | Confident | 84.1 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 10% | 0.101 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175 | 178.5 | -94.7 | 0 | 0 | 0 | 111.7 | M2827 S2832 E2836 A2837 L2838 L2872 Y2881 A2884 L2888 | M2827-F2834 HydrophobicContact SD-CB 4.46Å; S2832-F2834 PolarHBondContact O-N 3.28Å; F2834-E2836 VanDerWaalsContact C-N 3.3Å; F2834-E2836 PolarHBondContact O-N 2.77Å; F2834-A2837 PolarHBondContact O-N 3.19Å; F2834-L2838 HydrophobicContact CE1-CD2 4.46Å; F2834-L2838 WeakPolarHBondContact O-CB 3.29Å; F2834-L2838 PolarHBondContact O-N 3.47Å; F2834-L2872 HydrophobicContact CD2-CD2 3.66Å; F2834-L2872 HydrophobicContact CE2-CD2 3.51Å; F2834-Y2881 HydrophobicContact CB-CE1 4.3Å; F2834-Y2881 HydrophobicContact CD1-CD1 4.33Å; F2834-Y2881 AromaticContact CD2-CD1 3.6Å; F2834-Y2881 HydrophobicContact CD2-CD1 3.6Å; F2834-Y2881 AromaticContact CD2-CE1 3.23Å; F2834-Y2881 HydrophobicContact CD2-CE1 3.23Å; F2834-Y2881 HydrophobicContact CD2-CE2 4.17Å; F2834-Y2881 HydrophobicContact CD2-CG 4.25Å; F2834-Y2881 AromaticContact CD2-CZ 3.55Å; F2834-Y2881 HydrophobicContact CE1-CD1 4.26Å; F2834-Y2881 AromaticContact CE2-CD1 3.49Å; F2834-Y2881 HydrophobicContact CE2-CD1 3.49Å; F2834-Y2881 VanDerWaalsContact CE2-CD1 3.49Å; F2834-Y2881 AromaticContact CE2-CD2 3.89Å; F2834-Y2881 HydrophobicContact CE2-CD2 3.89Å; F2834-Y2881 AromaticContact CE2-CE1 3.55Å; F2834-Y2881 HydrophobicContact CE2-CE1 3.55Å; F2834-Y2881 AromaticContact CE2-CE2 3.89Å; F2834-Y2881 HydrophobicContact CE2-CE2 3.89Å; F2834-Y2881 AromaticContact CE2-CG 3.68Å; F2834-Y2881 HydrophobicContact CE2-CG 3.68Å; F2834-Y2881 AromaticContact CE2-CZ 3.75Å; F2834-Y2881 HydrophobicContact CG-CD1 4.02Å; F2834-Y2881 AromaticContact CG-CE1 3.77Å; F2834-Y2881 HydrophobicContact CG-CE1 3.77Å; F2834-Y2881 AromaticContact CZ-CD1 3.85Å; F2834-Y2881 HydrophobicContact CZ-CD1 3.85Å; F2834-Y2881 HydrophobicContact CZ-CD2 4.48Å; F2834-Y2881 HydrophobicContact CZ-CE1 4.34Å; F2834-Y2881 AromaticContact CZ-CG 3.95Å; F2834-Y2881 HydrophobicContact CZ-CG 3.95Å; F2834-A2884 HydrophobicContact CD1-CB 4.44Å; F2834-A2884 HydrophobicContact CE1-CB 3.49Å; F2834-A2884 VanDerWaalsContact CE1-CB 3.49Å; F2834-A2884 HydrophobicContact CZ-CB 4.04Å; F2834-L2888 HydrophobicContact CZ-CD2 4.18Å |
| 2835 | K | 86.9 | Confident | 82.4 | Confident | 163 Ų | 163 | 54.9 Ų | 54.9 | 71% | 0.709 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 177.3 | -172.3 | 176.3 | -178.5 | 176.3 | 0 | 111.5 | S2832 L2838 A2839 | S2832-K2835 PolarHBondContact O-N 3.43Å; K2835-L2838 PolarHBondContact O-N 3.39Å; K2835-A2839 WeakPolarHBondContact O-CB 3.35Å; K2835-A2839 PolarHBondContact O-N 3.01Å |
| 2836 | E | 87.5 | Confident | 80.3 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 173.5 | -177 | -178.5 | -164.1 | 0 | 0 | 111.8 | R2796 S2832 T2833 F2834 A2839 R2840 | R2796-E2836 IonicContact CZ-OE2 2.76Å; R2796-E2836 IonicContact NH2-OE2 2.68Å; R2796-E2836 PolarHBondContact NH2-OE2 2.82Å; S2832-E2836 WeakPolarHBondContact O-CB 3.5Å; S2832-E2836 PolarHBondContact O-N 3.31Å; T2833-E2836 WeakPolarHBondContact O-CB 3.43Å; T2833-E2836 PolarHBondContact O-N 3Å; F2834-E2836 VanDerWaalsContact C-N 3.3Å; F2834-E2836 PolarHBondContact O-N 2.77Å; E2836-A2839 PolarHBondContact O-N 3.08Å; E2836-R2840 WeakPolarHBondContact O-CB 3.15Å; E2836-R2840 PolarHBondContact O-N 3.17Å; E2836-R2840 IonicContact OE1-CZ 3.81Å; E2836-R2840 IonicContact OE1-NH1 3.97Å; E2836-R2840 PolarHBondContact OE1-NH1 2.89Å; E2836-R2840 IonicContact OE1-NH2 3.7Å; E2836-R2840 PolarHBondContact OE1-NH2 3.12Å |
| 2837 | A | 87 | Confident | 78.5 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y2804 M2827 T2833 F2834 A2839 R2840 L2841 L2872 | Y2804-A2837 WeakPolarHBondContact OH-CA 2.85Å; M2827-A2837 HydrophobicContact CE-CB 4.26Å; M2827-A2837 HydrophobicContact SD-CB 4.48Å; T2833-A2837 WeakPolarHBondContact O-CB 3.46Å; T2833-A2837 PolarHBondContact O-N 3.4Å; F2834-A2837 PolarHBondContact O-N 3.19Å; A2837-A2839 VanDerWaalsContact C-N 3.3Å; A2837-A2839 PolarHBondContact O-N 3.2Å; A2837-R2840 PolarHBondContact O-N 3.38Å; A2837-L2841 VanDerWaalsContact O-CB 3.29Å; A2837-L2841 WeakPolarHBondContact O-CB 3.28Å; A2837-L2841 VanDerWaalsContact O-CG 3.24Å; A2837-L2841 WeakPolarHBondContact O-CG 3.28Å; A2837-L2841 PolarHBondContact O-N 3.46Å; A2837-L2872 HydrophobicContact CB-CD1 4.07Å |
| 2838 | L | 85.2 | Confident | 76.9 | Confident | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.131 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 176.4 | -170.5 | 63.8 | 0 | 0 | 0 | 111.7 | F2834 K2835 V2842 L2869 D2887 L2888 | F2834-L2838 HydrophobicContact CE1-CD2 4.46Å; F2834-L2838 WeakPolarHBondContact O-CB 3.29Å; F2834-L2838 PolarHBondContact O-N 3.47Å; K2835-L2838 PolarHBondContact O-N 3.39Å; L2838-V2842 WeakPolarHBondContact O-CG2 3.31Å; L2838-L2869 HydrophobicContact CD1-CD1 4.33Å; L2838-D2887 HydrophobicContact CD2-CB 3.83Å; L2838-L2888 HydrophobicContact CD1-CD2 4.31Å |
| 2839 | A | 84.5 | Confident | 75.6 | Confident | 67 Ų | 67 | 69.3 Ų | 69.3 | 55% | 0.554 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.5 | -32.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K2835 E2836 A2837 V2842 | K2835-A2839 WeakPolarHBondContact O-CB 3.35Å; K2835-A2839 PolarHBondContact O-N 3.01Å; E2836-A2839 PolarHBondContact O-N 3.08Å; A2837-A2839 VanDerWaalsContact C-N 3.3Å; A2837-A2839 PolarHBondContact O-N 3.2Å; A2839-V2842 WeakPolarHBondContact O-CG2 3.28Å |
| 2840 | R | 82.7 | Confident | 74.4 | Confident | 134 Ų | 134 | 72 Ų | 72 | 51% | 0.506 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -79.8 | -33.9 | 176.2 | -85.5 | -176.3 | 172.2 | 79.2 | -21.2 | 113.3 | Y2804 E2836 A2837 V2842 | Y2804-R2840 HydrophobicContact CE1-CB 4.09Å; Y2804-R2840 WeakPolarHBondContact OH-CD 3.44Å; E2836-R2840 WeakPolarHBondContact O-CB 3.15Å; E2836-R2840 PolarHBondContact O-N 3.17Å; E2836-R2840 IonicContact OE1-CZ 3.81Å; E2836-R2840 IonicContact OE1-NH1 3.97Å; E2836-R2840 PolarHBondContact OE1-NH1 2.89Å; E2836-R2840 IonicContact OE1-NH2 3.7Å; E2836-R2840 PolarHBondContact OE1-NH2 3.12Å; A2837-R2840 PolarHBondContact O-N 3.38Å; R2840-V2842 PolarHBondContact O-N 2.83Å |
| 2841 | L | 81.4 | Confident | 73.6 | Confident | 7 Ų | 7 | 76.4 Ų | 76.4 | 4% | 0.037 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -79 | 42.5 | 176.1 | -64.8 | 171.7 | 0 | 0 | 0 | 110.8 | F2803 Y2804 A2837 C2865 K2868 L2869 R2891 | F2803-L2841 HydrophobicContact CE1-CD1 4.37Å; Y2804-L2841 HydrophobicContact CD1-CD2 4.36Å; Y2804-L2841 HydrophobicContact CE1-CD2 4.05Å; Y2804-L2841 HydrophobicContact CE1-CG 4.29Å; A2837-L2841 VanDerWaalsContact O-CB 3.29Å; A2837-L2841 WeakPolarHBondContact O-CB 3.28Å; A2837-L2841 VanDerWaalsContact O-CG 3.24Å; A2837-L2841 WeakPolarHBondContact O-CG 3.28Å; A2837-L2841 PolarHBondContact O-N 3.46Å; L2841-C2865 HydrophobicContact CB-CB 4.26Å; L2841-C2865 HydrophobicContact CD2-CB 4.07Å; L2841-K2868 HydrophobicContact CD2-CB 4.09Å; L2841-K2868 HydrophobicContact CD2-CD 4.27Å; L2841-L2869 HydrophobicContact CD1-CB 4.45Å; L2841-L2869 HydrophobicContact CD1-CD1 4.47Å; L2841-R2891 VanDerWaalsContact O-CZ 3.32Å; L2841-R2891 PolarHBondContact O-NE 3.27Å; L2841-R2891 PolarHBondContact O-NH2 2.97Å |
| 2842 | V | 72.7 | Confident | 72.7 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 24% | 0.242 | 43% | 0.433 | C | S | . | . | trans | -106.2 | 131.6 | 177 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | L2838 A2839 R2840 A2844 | L2838-V2842 WeakPolarHBondContact O-CG2 3.31Å; A2839-V2842 WeakPolarHBondContact O-CG2 3.28Å; R2840-V2842 PolarHBondContact O-N 2.83Å; V2842-A2844 WeakPolarHBondContact CG1-O 3.36Å | ||
| 2843 | F | 64.7 | Low | 71.9 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 7% | 0.066 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -75.8 | -44 | -178.6 | -41.9 | -57 | 0 | 0 | 0 | 112 | Q2845 R2862 C2865 R2891 C2895 | F2843-Q2845 PolarHBondContact O-N 2.84Å; F2843-R2862 HydrophobicContact CB-CG 4.11Å; F2843-R2862 HydrophobicContact CD1-CB 4.12Å; F2843-R2862 HydrophobicContact CD1-CG 3.71Å; F2843-R2862 HydrophobicContact CD2-CG 3.68Å; F2843-R2862 HydrophobicContact CE1-CB 3.96Å; F2843-R2862 HydrophobicContact CE1-CG 3.97Å; F2843-R2862 WeakPolarHBondContact CE1-O 3.42Å; F2843-R2862 HydrophobicContact CE2-CB 4.43Å; F2843-R2862 HydrophobicContact CE2-CG 3.96Å; F2843-R2862 HydrophobicContact CG-CB 4.44Å; F2843-R2862 HydrophobicContact CG-CG 3.57Å; F2843-R2862 HydrophobicContact CZ-CB 4.12Å; F2843-R2862 HydrophobicContact CZ-CG 4.1Å; F2843-C2865 HydrophobicContact CD1-CB 4.14Å; F2843-C2865 HydrophobicContact CE1-CB 3.56Å; F2843-R2891 VanDerWaalsContact CD2-CZ 3.46Å; F2843-R2891 VanDerWaalsContact CE2-NH1 3.34Å; F2843-C2895 HydrophobicContact CE2-CB 4.31Å; F2843-C2895 WeakPolarHBondContact CE2-SG 3.48Å; F2843-C2895 WeakPolarHBondContact CZ-SG 3.36Å |
| 2844 | A | 61.9 | Low | 71.4 | Confident | 65 Ų | 65 | 79.4 Ų | 79.4 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -89.7 | 98 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | V2842 P2846 | V2842-A2844 WeakPolarHBondContact CG1-O 3.36Å; A2844-P2846 WeakPolarHBondContact O-CD 3.43Å; A2844-P2846 VanDerWaalsContact O-N 3.15Å |
| 2845 | Q | 56.3 | Low | 71 | Confident | 118 Ų | 118 | 84.1 Ų | 84.1 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | trans | -62.6 | 114.4 | 164 | -69.9 | -65.6 | -21.8 | 0 | 0 | 107.2 | F2843 G2847 G2848 | F2843-Q2845 PolarHBondContact O-N 2.84Å; Q2845-G2847 PolarHBondContact O-N 3.4Å; Q2845-G2848 PolarHBondContact O-N 3.09Å | ||
| 2846 | P | 48.5 | Very low | 70.8 | Confident | 125 Ų | 125 | 81.7 Ų | 81.7 | 81% | 0.812 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 105.5 | 177.7 | 26 | -31.1 | 0 | 0 | 0 | 108.1 | A2844 | A2844-P2846 WeakPolarHBondContact O-CD 3.43Å; A2844-P2846 VanDerWaalsContact O-N 3.15Å |
| 2847 | G | 55.7 | Low | 70.6 | Confident | 81 Ų | 81 | 81.3 Ų | 81.3 | 84% | 0.835 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.4 | 2.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q2845 | Q2845-G2847 PolarHBondContact O-N 3.4Š|
| 2848 | G | 57.7 | Low | 70.4 | Confident | 41 Ų | 41 | 84.3 Ų | 84.3 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | trans | -81.8 | 121.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q2845 N2850 | Q2845-G2848 PolarHBondContact O-N 3.09Å; G2848-N2850 VanDerWaalsContact C-N 3.29Å; G2848-N2850 PolarHBondContact O-N 2.92Å | ||
| 2849 | L | 57.2 | Low | 70.5 | Confident | 152 Ų | 152 | 84.1 Ų | 84.1 | 80% | 0.796 | 48% | 0.478 | S | S | * | . | trans | -69.3 | 79.6 | 171 | -74.2 | 169.8 | 0 | 0 | 0 | 110.6 | L2851 | L2849-L2851 HydrophobicContact CD2-CD1 4.44Å; L2849-L2851 PolarHBondContact O-N 2.81Å | ||
| 2850 | N | 62.4 | Low | 70.7 | Confident | 87 Ų | 87 | 84.8 Ų | 84.8 | 47% | 0.465 | 47% | 0.472 | S | S | . | . | trans | -79.1 | 48.7 | 175.9 | -77.6 | -10.3 | 0 | 0 | 0 | 112.5 | G2848 F2852 T2853 | G2848-N2850 VanDerWaalsContact C-N 3.29Å; G2848-N2850 PolarHBondContact O-N 2.92Å; N2850-F2852 VanDerWaalsContact C-N 3.27Å; N2850-F2852 PolarHBondContact O-N 3.44Å; N2850-T2853 HydrophobicContact CB-CG2 4.33Å; N2850-T2853 PolarHBondContact O-OG1 3.5Å | ||
| 2851 | L | 67.4 | Low | 70.9 | Confident | 138 Ų | 138 | 83 Ų | 83 | 72% | 0.723 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -75.4 | -14.2 | -179.7 | -68.8 | 175.3 | 0 | 0 | 0 | 113.6 | L2849 | L2849-L2851 HydrophobicContact CD2-CD1 4.44Å; L2849-L2851 PolarHBondContact O-N 2.81Å |
| 2852 | F | 64.9 | Low | 71.2 | Confident | 201 Ų | 201 | 83.9 Ų | 83.9 | 88% | 0.882 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -114.4 | -0.5 | -175 | -58.7 | -70.7 | 0 | 0 | 0 | 114.4 | N2850 | N2850-F2852 VanDerWaalsContact C-N 3.27Å; N2850-F2852 PolarHBondContact O-N 3.44Å |
| 2853 | T | 69.7 | Low | 72.1 | Confident | 62 Ų | 62 | 82.5 Ų | 82.5 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | trans | -83.2 | 127.6 | 178 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | N2850 | N2850-T2853 HydrophobicContact CB-CG2 4.33Å; N2850-T2853 PolarHBondContact O-OG1 3.5Å | ||
| 2854 | S | 77.2 | Confident | 73.3 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 46% | 0.462 | 48% | 0.48 | S | S | . | . | trans | -63.9 | 149.3 | 173.4 | 72.8 | 0 | 0 | 0 | 0 | 110.7 | E2856 S2857 E2858 | S2854-E2856 PolarHBondContact O-N 2.73Å; S2854-S2857 PolarHBondContact N-OG 3.42Å; S2854-S2857 VanDerWaalsContact N-OG 3.16Å; S2854-S2857 PolarHBondContact O-N 3.39Å; S2854-S2857 PolarHBondContact O-OG 2.98Å; S2854-S2857 WeakPolarHBondContact OG-CB 3.49Å; S2854-S2857 PolarHBondContact OG-N 2.68Å; S2854-S2857 PolarHBondContact OG-OG 3.1Å; S2854-E2858 PolarHBondContact O-N 3.43Å; S2854-E2858 VanDerWaalsContact O-N 3.13Å | ||
| 2855 | K | 80.3 | Confident | 74.7 | Confident | 123 Ų | 123 | 81.7 Ų | 81.7 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.1 | -36.2 | 173.2 | -73.5 | -174.4 | 175 | -178.7 | 0 | 112 | E2858 Y2859 | K2855-E2858 VanDerWaalsContact O-CB 3.29Å; K2855-E2858 WeakPolarHBondContact O-CB 3.44Å; K2855-E2858 PolarHBondContact O-N 3.35Å; K2855-Y2859 HydrophobicContact CB-CE2 4.17Å; K2855-Y2859 VanDerWaalsContact O-CD2 3.23Å; K2855-Y2859 WeakPolarHBondContact O-CD2 3.41Å; K2855-Y2859 PolarHBondContact O-N 3.38Å; K2855-Y2859 VanDerWaalsContact O-N 3.09Å |
| 2856 | E | 82.7 | Confident | 76.4 | Confident | 112 Ų | 112 | 76.1 Ų | 76.1 | 52% | 0.523 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63 | -49.6 | 178 | -165.2 | 63.5 | -162.1 | 0 | 0 | 111.6 | S2854 E2858 Y2859 D2860 | S2854-E2856 PolarHBondContact O-N 2.73Å; E2856-E2858 PolarHBondContact O-N 3.37Å; E2856-E2858 VanDerWaalsContact O-N 3.17Å; E2856-Y2859 WeakPolarHBondContact O-CB 3.43Å; E2856-Y2859 PolarHBondContact O-N 3.36Å; E2856-D2860 PolarHBondContact O-N 3.03Å |
| 2857 | S | 83.4 | Confident | 78.6 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 33% | 0.329 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.8 | -29.8 | 175.7 | 55 | 0 | 0 | 0 | 0 | 113.1 | S2854 Q2861 | S2854-S2857 PolarHBondContact N-OG 3.42Å; S2854-S2857 VanDerWaalsContact N-OG 3.16Å; S2854-S2857 PolarHBondContact O-N 3.39Å; S2854-S2857 PolarHBondContact O-OG 2.98Å; S2854-S2857 WeakPolarHBondContact OG-CB 3.49Å; S2854-S2857 PolarHBondContact OG-N 2.68Å; S2854-S2857 PolarHBondContact OG-OG 3.1Å; S2857-Q2861 WeakPolarHBondContact O-CB 3.41Å; S2857-Q2861 PolarHBondContact O-N 3.08Å |
| 2858 | E | 82.7 | Confident | 80.4 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 174.4 | -162.4 | -168.2 | 150.7 | 0 | 0 | 111.2 | S2854 K2855 E2856 R2862 | S2854-E2858 PolarHBondContact O-N 3.43Å; S2854-E2858 VanDerWaalsContact O-N 3.13Å; K2855-E2858 VanDerWaalsContact O-CB 3.29Å; K2855-E2858 WeakPolarHBondContact O-CB 3.44Å; K2855-E2858 PolarHBondContact O-N 3.35Å; E2856-E2858 PolarHBondContact O-N 3.37Å; E2856-E2858 VanDerWaalsContact O-N 3.17Å; E2858-R2862 WeakPolarHBondContact O-CB 3.3Å; E2858-R2862 WeakPolarHBondContact O-CG 3.02Å; E2858-R2862 PolarHBondContact O-N 3.18Å; E2858-R2862 IonicContact OE1-CZ 2.86Å; E2858-R2862 IonicContact OE1-NH1 2.65Å; E2858-R2862 PolarHBondContact OE1-NH1 3.23Å; E2858-R2862 IonicContact OE1-NH2 3.81Å; E2858-R2862 PolarHBondContact OE1-NH2 3.45Å |
| 2859 | Y | 87.5 | Confident | 82.1 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 175.9 | -58.5 | -37.4 | 0 | 0 | 0 | 112.7 | K2855 E2856 R2862 A2863 L2898 Q2900 I2903 | K2855-Y2859 HydrophobicContact CB-CE2 4.17Å; K2855-Y2859 VanDerWaalsContact O-CD2 3.23Å; K2855-Y2859 WeakPolarHBondContact O-CD2 3.41Å; K2855-Y2859 PolarHBondContact O-N 3.38Å; K2855-Y2859 VanDerWaalsContact O-N 3.09Å; E2856-Y2859 WeakPolarHBondContact O-CB 3.43Å; E2856-Y2859 PolarHBondContact O-N 3.36Å; Y2859-R2862 WeakPolarHBondContact O-CB 3.36Å; Y2859-R2862 PolarHBondContact O-N 3.36Å; Y2859-A2863 WeakPolarHBondContact O-CB 3.34Å; Y2859-A2863 PolarHBondContact O-N 2.64Å; Y2859-L2898 HydrophobicContact CD1-CD1 3.95Å; Y2859-L2898 HydrophobicContact CD1-CD2 4.4Å; Y2859-L2898 HydrophobicContact CE1-CD1 3.95Å; Y2859-L2898 HydrophobicContact CE1-CD2 3.92Å; Y2859-L2898 HydrophobicContact CE1-CG 4.4Å; Y2859-Q2900 PolarHBondContact OH-OE1 3.24Å; Y2859-I2903 HydrophobicContact CD1-CD1 3.89Å; Y2859-I2903 HydrophobicContact CD1-CG2 4.3Å; Y2859-I2903 HydrophobicContact CD2-CD1 4.4Å; Y2859-I2903 HydrophobicContact CD2-CG2 4.04Å; Y2859-I2903 HydrophobicContact CE1-CD1 3.48Å; Y2859-I2903 VanDerWaalsContact CE1-CD1 3.48Å; Y2859-I2903 HydrophobicContact CE2-CD1 4.02Å; Y2859-I2903 HydrophobicContact CG-CD1 4.36Å; Y2859-I2903 HydrophobicContact CG-CG2 3.88Å |
| 2860 | D | 88.4 | Confident | 83.9 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 175.5 | -72.4 | -32.1 | 0 | 0 | 0 | 111.6 | E2856 R2862 A2863 A2864 | E2856-D2860 PolarHBondContact O-N 3.03Å; D2860-R2862 VanDerWaalsContact C-N 3.28Å; D2860-R2862 PolarHBondContact O-N 2.88Å; D2860-A2863 PolarHBondContact O-N 2.76Å; D2860-A2864 VanDerWaalsContact O-CB 3.3Å; D2860-A2864 WeakPolarHBondContact O-CB 3.24Å; D2860-A2864 PolarHBondContact O-N 3.49Å |
| 2861 | Q | 86.7 | Confident | 85.4 | Confident | 96 Ų | 96 | 55.1 Ų | 55.1 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 173.4 | -171.5 | 176 | 12.1 | 0 | 0 | 111.1 | S2857 A2864 C2865 | S2857-Q2861 WeakPolarHBondContact O-CB 3.41Å; S2857-Q2861 PolarHBondContact O-N 3.08Å; Q2861-A2864 PolarHBondContact O-N 2.87Å; Q2861-C2865 PolarHBondContact O-N 2.96Å; Q2861-C2865 PolarHBondContact O-SG 2.87Å |
| 2862 | R | 87.4 | Confident | 86.6 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 9% | 0.094 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -51.8 | 175.2 | -78.8 | -161.8 | 178.3 | 88.7 | 0.1 | 112.4 | F2843 E2858 Y2859 D2860 A2864 C2865 L2866 V2906 | F2843-R2862 HydrophobicContact CB-CG 4.11Å; F2843-R2862 HydrophobicContact CD1-CB 4.12Å; F2843-R2862 HydrophobicContact CD1-CG 3.71Å; F2843-R2862 HydrophobicContact CD2-CG 3.68Å; F2843-R2862 HydrophobicContact CE1-CB 3.96Å; F2843-R2862 HydrophobicContact CE1-CG 3.97Å; F2843-R2862 WeakPolarHBondContact CE1-O 3.42Å; F2843-R2862 HydrophobicContact CE2-CB 4.43Å; F2843-R2862 HydrophobicContact CE2-CG 3.96Å; F2843-R2862 HydrophobicContact CG-CB 4.44Å; F2843-R2862 HydrophobicContact CG-CG 3.57Å; F2843-R2862 HydrophobicContact CZ-CB 4.12Å; F2843-R2862 HydrophobicContact CZ-CG 4.1Å; E2858-R2862 WeakPolarHBondContact O-CB 3.3Å; E2858-R2862 WeakPolarHBondContact O-CG 3.02Å; E2858-R2862 PolarHBondContact O-N 3.18Å; E2858-R2862 IonicContact OE1-CZ 2.86Å; E2858-R2862 IonicContact OE1-NH1 2.65Å; E2858-R2862 PolarHBondContact OE1-NH1 3.23Å; E2858-R2862 IonicContact OE1-NH2 3.81Å; E2858-R2862 PolarHBondContact OE1-NH2 3.45Å; Y2859-R2862 WeakPolarHBondContact O-CB 3.36Å; Y2859-R2862 PolarHBondContact O-N 3.36Å; D2860-R2862 VanDerWaalsContact C-N 3.28Å; D2860-R2862 PolarHBondContact O-N 2.88Å; R2862-A2864 VanDerWaalsContact C-N 3.3Å; R2862-A2864 PolarHBondContact O-N 2.12Å; R2862-C2865 PolarHBondContact O-N 3.4Å; R2862-L2866 WeakPolarHBondContact O-CB 3.44Å; R2862-L2866 PolarHBondContact O-N 3.41Å; R2862-L2866 VanDerWaalsContact O-N 3.1Å; R2862-V2906 HydrophobicContact CB-CG2 4.09Å |
| 2863 | A | 91.2 | Very high | 88 | Confident | 11 Ų | 11 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y2859 D2860 L2866 K2867 V2905 Q2909 | Y2859-A2863 WeakPolarHBondContact O-CB 3.34Å; Y2859-A2863 PolarHBondContact O-N 2.64Å; D2860-A2863 PolarHBondContact O-N 2.76Å; A2863-L2866 PolarHBondContact O-N 3.5Å; A2863-K2867 WeakPolarHBondContact O-CB 3.28Å; A2863-K2867 PolarHBondContact O-N 3.19Å; A2863-V2905 HydrophobicContact CB-CB 4.35Å; A2863-V2905 WeakPolarHBondContact CB-O 3.42Å; A2863-Q2909 HydrophobicContact CB-CG 3.87Å |
| 2864 | A | 91.2 | Very high | 89.1 | Confident | 45 Ų | 45 | 36.6 Ų | 36.6 | 37% | 0.372 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.4 | -45.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | D2860 Q2861 R2862 L2866 K2867 K2868 | D2860-A2864 VanDerWaalsContact O-CB 3.3Å; D2860-A2864 WeakPolarHBondContact O-CB 3.24Å; D2860-A2864 PolarHBondContact O-N 3.49Å; Q2861-A2864 PolarHBondContact O-N 2.87Å; R2862-A2864 VanDerWaalsContact C-N 3.3Å; R2862-A2864 PolarHBondContact O-N 2.12Å; A2864-L2866 VanDerWaalsContact C-N 3.33Å; A2864-K2867 PolarHBondContact O-N 3.42Å; A2864-K2868 WeakPolarHBondContact O-CG 3.39Å; A2864-K2868 PolarHBondContact O-N 3.13Å |
| 2865 | C | 90.4 | Very high | 89.8 | Confident | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.122 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.1 | -33.8 | 177.2 | -39.7 | 0 | 0 | 0 | 0 | 111.6 | L2841 F2843 Q2861 R2862 K2868 L2869 | L2841-C2865 HydrophobicContact CB-CB 4.26Å; L2841-C2865 HydrophobicContact CD2-CB 4.07Å; F2843-C2865 HydrophobicContact CD1-CB 4.14Å; F2843-C2865 HydrophobicContact CE1-CB 3.56Å; Q2861-C2865 PolarHBondContact O-N 2.96Å; Q2861-C2865 PolarHBondContact O-SG 2.87Å; R2862-C2865 PolarHBondContact O-N 3.4Å; C2865-K2868 PolarHBondContact O-N 2.77Å; C2865-L2869 WeakPolarHBondContact O-CB 3.15Å; C2865-L2869 PolarHBondContact O-N 3.32Å |
| 2866 | L | 92.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -38.8 | 175.9 | -172 | 60.1 | 0 | 0 | 0 | 111.8 | R2862 A2863 A2864 K2868 L2869 S2870 L2892 C2895 Q2909 V2910 F2913 | R2862-L2866 WeakPolarHBondContact O-CB 3.44Å; R2862-L2866 PolarHBondContact O-N 3.41Å; R2862-L2866 VanDerWaalsContact O-N 3.1Å; A2863-L2866 PolarHBondContact O-N 3.5Å; A2864-L2866 VanDerWaalsContact C-N 3.33Å; L2866-K2868 PolarHBondContact O-N 3.46Å; L2866-L2869 HydrophobicContact CD1-CD2 4.42Å; L2866-L2869 PolarHBondContact O-N 2.92Å; L2866-S2870 WeakPolarHBondContact O-CB 3.22Å; L2866-S2870 PolarHBondContact O-N 3.3Å; L2866-S2870 PolarHBondContact O-OG 3.38Å; L2866-L2892 HydrophobicContact CD1-CD1 4.35Å; L2866-L2892 HydrophobicContact CD2-CD1 4.3Å; L2866-C2895 HydrophobicContact CD2-CB 4.31Å; L2866-Q2909 HydrophobicContact CB-CB 4.25Å; L2866-Q2909 HydrophobicContact CD2-CB 3.93Å; L2866-Q2909 HydrophobicContact CG-CB 4.16Å; L2866-V2910 HydrophobicContact CD2-CB 4.38Å; L2866-V2910 HydrophobicContact CD2-CG2 3.67Å; L2866-F2913 HydrophobicContact CD1-CB 4.18Å; L2866-F2913 HydrophobicContact CD1-CD1 4.17Å; L2866-F2913 HydrophobicContact CD1-CD2 4.39Å; L2866-F2913 HydrophobicContact CD1-CG 3.99Å; L2866-F2913 HydrophobicContact CG-CB 4.37Å |
| 2867 | K | 94.3 | Very high | 90.6 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 10% | 0.096 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 172.5 | -169.9 | 175.3 | 175.3 | -179.1 | 0 | 111.3 | F2809 A2863 A2864 S2870 Y2871 Q2909 F3137 E3139 | F2809-K2867 HydrophobicContact CD2-CD 3.94Å; F2809-K2867 HydrophobicContact CD2-CG 4.34Å; F2809-K2867 HydrophobicContact CE2-CB 4.29Å; F2809-K2867 HydrophobicContact CE2-CD 3.79Å; F2809-K2867 HydrophobicContact CE2-CG 3.68Å; F2809-K2867 HydrophobicContact CZ-CD 4.42Å; F2809-K2867 HydrophobicContact CZ-CG 3.96Å; A2863-K2867 WeakPolarHBondContact O-CB 3.28Å; A2863-K2867 PolarHBondContact O-N 3.19Å; A2864-K2867 PolarHBondContact O-N 3.42Å; K2867-S2870 WeakPolarHBondContact O-CB 3.27Å; K2867-S2870 PolarHBondContact O-N 3.16Å; K2867-Y2871 PolarHBondContact O-N 2.81Å; K2867-Q2909 HydrophobicContact CB-CG 4.4Å; K2867-Q2909 VanDerWaalsContact CB-OE1 3.26Å; K2867-F3137 PolarHBondContact NZ-O 3.35Å; K2867-F3137 VanDerWaalsContact NZ-O 3.14Å; K2867-E3139 IonicContact NZ-OE1 3.07Å; K2867-E3139 PolarHBondContact NZ-OE1 3.15Å |
| 2868 | K | 93.6 | Very high | 90.7 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 8% | 0.078 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 175.3 | -74.4 | 177.7 | 178.5 | -179.5 | 0 | 112.7 | F2803 Y2804 E2805 F2809 L2841 A2864 C2865 L2866 S2870 Y2871 L2872 | F2803-K2868 HydrophobicContact CE2-CB 4.25Å; F2803-K2868 HydrophobicContact CE2-CG 4.39Å; F2803-K2868 HydrophobicContact CZ-CB 3.85Å; F2803-K2868 HydrophobicContact CZ-CG 4.39Å; F2803-K2868 VanDerWaalsContact O-CE 3.25Å; F2803-K2868 WeakPolarHBondContact O-CE 3.41Å; F2803-K2868 PolarHBondContact O-NZ 2.84Å; Y2804-K2868 PolarHBondContact O-NZ 3.31Å; E2805-K2868 WeakPolarHBondContact O-CE 3.35Å; E2805-K2868 PolarHBondContact O-NZ 3.27Å; F2809-K2868 HydrophobicContact CE2-CG 3.92Å; F2809-K2868 HydrophobicContact CZ-CG 4.22Å; L2841-K2868 HydrophobicContact CD2-CB 4.09Å; L2841-K2868 HydrophobicContact CD2-CD 4.27Å; A2864-K2868 WeakPolarHBondContact O-CG 3.39Å; A2864-K2868 PolarHBondContact O-N 3.13Å; C2865-K2868 PolarHBondContact O-N 2.77Å; L2866-K2868 PolarHBondContact O-N 3.46Å; K2868-S2870 VanDerWaalsContact C-N 3.33Å; K2868-Y2871 PolarHBondContact O-N 3.04Å; K2868-L2872 WeakPolarHBondContact O-CB 3.47Å; K2868-L2872 PolarHBondContact O-N 3.1Å |
| 2869 | L | 93.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.7 | -174.9 | 61.4 | 0 | 0 | 0 | 111.4 | L2838 L2841 C2865 L2866 Y2871 L2872 V2873 L2888 R2891 F2913 | L2838-L2869 HydrophobicContact CD1-CD1 4.33Å; L2841-L2869 HydrophobicContact CD1-CB 4.45Å; L2841-L2869 HydrophobicContact CD1-CD1 4.47Å; C2865-L2869 WeakPolarHBondContact O-CB 3.15Å; C2865-L2869 PolarHBondContact O-N 3.32Å; L2866-L2869 HydrophobicContact CD1-CD2 4.42Å; L2866-L2869 PolarHBondContact O-N 2.92Å; L2869-Y2871 PolarHBondContact O-N 2.62Å; L2869-L2872 PolarHBondContact O-N 3.12Å; L2869-V2873 WeakPolarHBondContact O-CG2 3.43Å; L2869-V2873 PolarHBondContact O-N 3.38Å; L2869-L2888 HydrophobicContact CD1-CD2 3.82Å; L2869-L2888 HydrophobicContact CD2-CD2 3.98Å; L2869-L2888 HydrophobicContact CG-CD2 4.16Å; L2869-R2891 HydrophobicContact CD2-CG 4.15Å; L2869-F2913 HydrophobicContact CD2-CE2 4.24Å; L2869-F2913 HydrophobicContact CD2-CZ 4.17Å; L2869-F2913 HydrophobicContact CG-CE2 3.98Å; L2869-F2913 HydrophobicContact CG-CZ 4.36Å |
| 2870 | S | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 174.1 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | L2866 K2867 K2868 L2872 V2873 Y2874 F2913 V2916 | L2866-S2870 WeakPolarHBondContact O-CB 3.22Å; L2866-S2870 PolarHBondContact O-N 3.3Å; L2866-S2870 PolarHBondContact O-OG 3.38Å; K2867-S2870 WeakPolarHBondContact O-CB 3.27Å; K2867-S2870 PolarHBondContact O-N 3.16Å; K2868-S2870 VanDerWaalsContact C-N 3.33Å; S2870-L2872 PolarHBondContact O-N 2.89Å; S2870-V2873 PolarHBondContact O-N 3.24Å; S2870-Y2874 VanDerWaalsContact O-CB 3.25Å; S2870-Y2874 WeakPolarHBondContact O-CB 3.09Å; S2870-Y2874 PolarHBondContact O-N 3.27Å; S2870-F2913 WeakPolarHBondContact OG-CA 3.49Å; S2870-F2913 WeakPolarHBondContact OG-CB 3.33Å; S2870-F2913 VanDerWaalsContact OG-CD2 3.32Å; S2870-F2913 WeakPolarHBondContact OG-CD2 3.44Å; S2870-V2916 WeakPolarHBondContact O-CG1 3.4Å |
| 2871 | Y | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 177.4 | -177.5 | -110.6 | 0 | 0 | 0 | 112.7 | F2803 F2808 F2809 L2816 W2819 N2820 I2823 K2867 K2868 L2869 V2873 Y2874 A2875 F3137 | F2803-Y2871 HydrophobicContact CE2-CD1 4.09Å; F2808-Y2871 AromaticContact CE1-CD1 3.76Å; F2808-Y2871 HydrophobicContact CE1-CD1 3.76Å; F2808-Y2871 AromaticContact CE1-CE1 3.62Å; F2808-Y2871 HydrophobicContact CE1-CE1 3.62Å; F2808-Y2871 HydrophobicContact CZ-CD1 4.29Å; F2808-Y2871 AromaticContact CZ-CE1 3.76Å; F2808-Y2871 HydrophobicContact CZ-CE1 3.76Å; F2809-Y2871 HydrophobicContact CE1-CD1 4.16Å; F2809-Y2871 HydrophobicContact CE1-CD2 4.06Å; F2809-Y2871 AromaticContact CE1-CG 3.72Å; F2809-Y2871 HydrophobicContact CE1-CG 3.72Å; F2809-Y2871 HydrophobicContact CZ-CG 4.19Å; L2816-Y2871 HydrophobicContact CD1-CD2 4.39Å; L2816-Y2871 HydrophobicContact CD1-CE2 3.49Å; L2816-Y2871 VanDerWaalsContact CD1-CE2 3.49Å; L2816-Y2871 WeakPolarHBondContact CD1-OH 3.33Å; L2816-Y2871 HydrophobicContact CD2-CE2 4.12Å; L2816-Y2871 HydrophobicContact CG-CE2 3.79Å; L2816-Y2871 PolarHBondContact O-OH 2.73Å; W2819-Y2871 VanDerWaalsContact C-OH 3.26Å; W2819-Y2871 WeakPolarHBondContact CB-OH 3.37Å; N2820-Y2871 PolarHBondContact N-OH 2.93Å; N2820-Y2871 VanDerWaalsContact OD1-CE2 3.22Å; N2820-Y2871 WeakPolarHBondContact OD1-CE2 3.41Å; N2820-Y2871 PolarHBondContact OD1-OH 3.17Å; N2820-Y2871 VanDerWaalsContact OD1-OH 3.07Å; I2823-Y2871 HydrophobicContact CG1-CD1 4.46Å; I2823-Y2871 HydrophobicContact CG1-CE1 3.8Å; K2867-Y2871 PolarHBondContact O-N 2.81Å; K2868-Y2871 PolarHBondContact O-N 3.04Å; L2869-Y2871 PolarHBondContact O-N 2.62Å; Y2871-V2873 PolarHBondContact O-N 3.45Å; Y2871-Y2874 HydrophobicContact CD2-CD1 4.11Å; Y2871-Y2874 HydrophobicContact CE2-CD1 4.23Å; Y2871-Y2874 PolarHBondContact O-N 3.08Å; Y2871-A2875 WeakPolarHBondContact O-CB 3.28Å; Y2871-A2875 PolarHBondContact O-N 3.48Å; Y2871-F3137 VanDerWaalsContact CA-CE1 3.49Å; Y2871-F3137 HydrophobicContact CD2-CB 4.28Å; Y2871-F3137 AromaticContact CD2-CD1 3.8Å; Y2871-F3137 HydrophobicContact CD2-CD1 3.8Å; Y2871-F3137 AromaticContact CD2-CD2 3.98Å; Y2871-F3137 HydrophobicContact CD2-CD2 3.98Å; Y2871-F3137 HydrophobicContact CD2-CE1 4.07Å; Y2871-F3137 HydrophobicContact CD2-CE2 4.24Å; Y2871-F3137 AromaticContact CD2-CG 3.74Å; Y2871-F3137 HydrophobicContact CD2-CG 3.74Å; Y2871-F3137 HydrophobicContact CD2-CZ 4.28Å; Y2871-F3137 HydrophobicContact CE2-CG 4.49Å; Y2871-F3137 HydrophobicContact CG-CD1 4.21Å; Y2871-F3137 HydrophobicContact CG-CE1 4.34Å |
| 2872 | L | 93.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 177.4 | -174.5 | 162.9 | 0 | 0 | 0 | 111.3 | F2803 I2823 M2827 F2834 A2837 K2868 L2869 S2870 Y2881 | F2803-L2872 HydrophobicContact CZ-CB 4.4Å; I2823-L2872 HydrophobicContact CG2-CG 4.34Å; M2827-L2872 HydrophobicContact CE-CD1 3.54Å; M2827-L2872 HydrophobicContact CE-CG 4.14Å; M2827-L2872 HydrophobicContact CG-CD1 4.39Å; M2827-L2872 HydrophobicContact CG-CD2 4.35Å; M2827-L2872 HydrophobicContact CG-CG 4.21Å; M2827-L2872 HydrophobicContact SD-CD1 4.02Å; M2827-L2872 HydrophobicContact SD-CG 4.49Å; F2834-L2872 HydrophobicContact CD2-CD2 3.66Å; F2834-L2872 HydrophobicContact CE2-CD2 3.51Å; A2837-L2872 HydrophobicContact CB-CD1 4.07Å; K2868-L2872 WeakPolarHBondContact O-CB 3.47Å; K2868-L2872 PolarHBondContact O-N 3.1Å; L2869-L2872 PolarHBondContact O-N 3.12Å; S2870-L2872 PolarHBondContact O-N 2.89Å; L2872-Y2881 HydrophobicContact CD2-CD2 4.45Å; L2872-Y2881 HydrophobicContact CD2-CE2 3.58Å |
| 2873 | V | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.6 | -35.5 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | L2869 S2870 Y2871 S2876 Y2881 L2888 F2913 V2916 L2917 R2920 M2921 | L2869-V2873 WeakPolarHBondContact O-CG2 3.43Å; L2869-V2873 PolarHBondContact O-N 3.38Å; S2870-V2873 PolarHBondContact O-N 3.24Å; Y2871-V2873 PolarHBondContact O-N 3.45Å; V2873-S2876 WeakPolarHBondContact O-CB 3.39Å; V2873-S2876 PolarHBondContact O-N 2.89Å; V2873-S2876 PolarHBondContact O-OG 3.49Å; V2873-Y2881 HydrophobicContact CG2-CD2 4.17Å; V2873-L2888 HydrophobicContact CG2-CD1 4.28Å; V2873-F2913 HydrophobicContact CG2-CE2 4.19Å; V2873-V2916 HydrophobicContact CB-CG1 4.02Å; V2873-V2916 HydrophobicContact CG1-CG1 3.94Å; V2873-L2917 HydrophobicContact CG1-CD2 4.18Å; V2873-R2920 HydrophobicContact CG1-CB 4.28Å; V2873-M2921 HydrophobicContact CG1-CE 3.66Å |
| 2874 | Y | 94 | Very high | 91.1 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 177.3 | 169.5 | -104 | 0 | 0 | 0 | 113 | S2870 Y2871 S2876 R2920 E3130 L3133 A3134 F3137 | S2870-Y2874 VanDerWaalsContact O-CB 3.25Å; S2870-Y2874 WeakPolarHBondContact O-CB 3.09Å; S2870-Y2874 PolarHBondContact O-N 3.27Å; Y2871-Y2874 HydrophobicContact CD2-CD1 4.11Å; Y2871-Y2874 HydrophobicContact CE2-CD1 4.23Å; Y2871-Y2874 PolarHBondContact O-N 3.08Å; Y2874-S2876 PolarHBondContact O-N 3.3Å; Y2874-R2920 VanDerWaalsContact O-CZ 3.25Å; Y2874-R2920 PolarHBondContact O-NE 3.21Å; Y2874-R2920 PolarHBondContact O-NH2 3.39Å; Y2874-E3130 WeakPolarHBondContact CE2-OE2 3.39Å; Y2874-L3133 HydrophobicContact CD2-CB 4.08Å; Y2874-L3133 HydrophobicContact CD2-CD1 4.25Å; Y2874-L3133 HydrophobicContact CE2-CB 3.7Å; Y2874-L3133 HydrophobicContact CE2-CD1 4.32Å; Y2874-A3134 WeakPolarHBondContact OH-CB 3.08Å; Y2874-F3137 HydrophobicContact CD1-CD2 4.04Å; Y2874-F3137 AromaticContact CD1-CE2 3.51Å; Y2874-F3137 HydrophobicContact CD1-CE2 3.51Å; Y2874-F3137 HydrophobicContact CD1-CZ 4.21Å; Y2874-F3137 HydrophobicContact CD2-CE2 4.19Å; Y2874-F3137 HydrophobicContact CE1-CD2 4.26Å; Y2874-F3137 HydrophobicContact CE1-CE2 4.04Å; Y2874-F3137 AromaticContact CG-CE2 3.58Å; Y2874-F3137 HydrophobicContact CG-CE2 3.58Å; Y2874-F3137 HydrophobicContact CG-CZ 4.04Å |
| 2875 | A | 92.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N2820 I2823 Y2871 | N2820-A2875 HydrophobicContact CB-CB 4.22Å; I2823-A2875 HydrophobicContact CB-CB 4.09Å; I2823-A2875 HydrophobicContact CG2-CB 4.05Å; Y2871-A2875 WeakPolarHBondContact O-CB 3.28Å; Y2871-A2875 PolarHBondContact O-N 3.48Å |
| 2876 | S | 89.6 | Confident | 91.2 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -82.7 | 160.7 | -171.6 | 100.1 | 0 | 0 | 0 | 0 | 112.6 | V2873 Y2874 Q2880 R2920 | V2873-S2876 WeakPolarHBondContact O-CB 3.39Å; V2873-S2876 PolarHBondContact O-N 2.89Å; V2873-S2876 PolarHBondContact O-OG 3.49Å; Y2874-S2876 PolarHBondContact O-N 3.3Å; S2876-Q2880 VanDerWaalsContact CA-OE1 3.3Å; S2876-Q2880 PolarHBondContact OG-OE1 2.84Å; S2876-R2920 WeakPolarHBondContact O-CD 3.2Å; S2876-R2920 PolarHBondContact O-NE 3.29Å; S2876-R2920 VanDerWaalsContact O-NE 3.16Å |
| 2877 | E | 89.4 | Confident | 91 | Very high | 130 Ų | 130 | 40.8 Ų | 40.8 | 61% | 0.607 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -64.9 | 152.9 | 167.6 | -73.6 | -170.8 | 166.5 | 0 | 0 | 111.1 | Q2880 | E2877-Q2880 HydrophobicContact CB-CB 4.45Å; E2877-Q2880 VanDerWaalsContact O-CB 3.24Å; E2877-Q2880 WeakPolarHBondContact O-CB 3.48Å; E2877-Q2880 PolarHBondContact O-N 3.01Å |
| 2878 | P | 86.5 | Confident | 90.9 | Very high | 87 Ų | 87 | 39.7 Ų | 39.7 | 57% | 0.565 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 139.9 | 177.2 | 26.1 | -34.2 | 0 | 0 | 0 | 111.3 | Q2880 R2920 | P2878-Q2880 PolarHBondContact O-N 3.44Å; P2878-Q2880 VanDerWaalsContact O-N 3.14Å; P2878-R2920 CarbonylContact C-O 3.59Å; P2878-R2920 VanDerWaalsContact CA-O 3.23Å; P2878-R2920 WeakPolarHBondContact CA-O 3.26Å |
| 2879 | D | 86.9 | Confident | 90.9 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 7.2 | -177.1 | -70.9 | -50.7 | 0 | 0 | 0 | 116.6 | Y2881 A2882 R2920 S2922 Q2925 | D2879-Y2881 VanDerWaalsContact C-N 3.28Å; D2879-Y2881 PolarHBondContact O-N 3.5Å; D2879-A2882 VanDerWaalsContact O-CB 3.28Å; D2879-A2882 WeakPolarHBondContact O-CB 3.45Å; D2879-A2882 PolarHBondContact O-N 3.06Å; D2879-R2920 PolarHBondContact N-O 2.91Å; D2879-S2922 VanDerWaalsContact OD1-CB 3.27Å; D2879-S2922 WeakPolarHBondContact OD1-CB 3.45Å; D2879-S2922 PolarHBondContact OD1-N 3.41Å; D2879-S2922 PolarHBondContact OD1-OG 3.25Å; D2879-S2922 VanDerWaalsContact OD2-CB 3.32Å; D2879-S2922 WeakPolarHBondContact OD2-CB 3.37Å; D2879-S2922 PolarHBondContact OD2-OG 3.01Å; D2879-Q2925 PolarHBondContact OD1-NE2 3.07Å |
| 2880 | Q | 89.2 | Confident | 90.7 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 27% | 0.271 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -36.6 | -178.9 | -175.8 | 178.4 | -4.6 | 0 | 0 | 113.6 | D2824 S2876 E2877 P2878 | D2824-Q2880 PolarHBondContact OD1-NE2 3.09Å; D2824-Q2880 PolarHBondContact OD1-OE1 3.18Å; S2876-Q2880 VanDerWaalsContact CA-OE1 3.3Å; S2876-Q2880 PolarHBondContact OG-OE1 2.84Å; E2877-Q2880 HydrophobicContact CB-CB 4.45Å; E2877-Q2880 VanDerWaalsContact O-CB 3.24Å; E2877-Q2880 WeakPolarHBondContact O-CB 3.48Å; E2877-Q2880 PolarHBondContact O-N 3.01Å; P2878-Q2880 PolarHBondContact O-N 3.44Å; P2878-Q2880 VanDerWaalsContact O-N 3.14Å |
| 2881 | Y | 88.2 | Confident | 90.3 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 20.1 | -179.4 | -55.5 | -55 | 0 | 0 | 0 | 114.4 | M2827 F2834 L2872 V2873 D2879 K2883 A2884 M2885 | M2827-Y2881 WeakPolarHBondContact CB-OH 3.2Å; M2827-Y2881 WeakPolarHBondContact CG-OH 3.44Å; F2834-Y2881 HydrophobicContact CB-CE1 4.3Å; F2834-Y2881 HydrophobicContact CD1-CD1 4.33Å; F2834-Y2881 AromaticContact CD2-CD1 3.6Å; F2834-Y2881 HydrophobicContact CD2-CD1 3.6Å; F2834-Y2881 AromaticContact CD2-CE1 3.23Å; F2834-Y2881 HydrophobicContact CD2-CE1 3.23Å; F2834-Y2881 HydrophobicContact CD2-CE2 4.17Å; F2834-Y2881 HydrophobicContact CD2-CG 4.25Å; F2834-Y2881 AromaticContact CD2-CZ 3.55Å; F2834-Y2881 HydrophobicContact CE1-CD1 4.26Å; F2834-Y2881 AromaticContact CE2-CD1 3.49Å; F2834-Y2881 HydrophobicContact CE2-CD1 3.49Å; F2834-Y2881 VanDerWaalsContact CE2-CD1 3.49Å; F2834-Y2881 AromaticContact CE2-CD2 3.89Å; F2834-Y2881 HydrophobicContact CE2-CD2 3.89Å; F2834-Y2881 AromaticContact CE2-CE1 3.55Å; F2834-Y2881 HydrophobicContact CE2-CE1 3.55Å; F2834-Y2881 AromaticContact CE2-CE2 3.89Å; F2834-Y2881 HydrophobicContact CE2-CE2 3.89Å; F2834-Y2881 AromaticContact CE2-CG 3.68Å; F2834-Y2881 HydrophobicContact CE2-CG 3.68Å; F2834-Y2881 AromaticContact CE2-CZ 3.75Å; F2834-Y2881 HydrophobicContact CG-CD1 4.02Å; F2834-Y2881 AromaticContact CG-CE1 3.77Å; F2834-Y2881 HydrophobicContact CG-CE1 3.77Å; F2834-Y2881 AromaticContact CZ-CD1 3.85Å; F2834-Y2881 HydrophobicContact CZ-CD1 3.85Å; F2834-Y2881 HydrophobicContact CZ-CD2 4.48Å; F2834-Y2881 HydrophobicContact CZ-CE1 4.34Å; F2834-Y2881 AromaticContact CZ-CG 3.95Å; F2834-Y2881 HydrophobicContact CZ-CG 3.95Å; L2872-Y2881 HydrophobicContact CD2-CD2 4.45Å; L2872-Y2881 HydrophobicContact CD2-CE2 3.58Å; V2873-Y2881 HydrophobicContact CG2-CD2 4.17Å; D2879-Y2881 VanDerWaalsContact C-N 3.28Å; D2879-Y2881 PolarHBondContact O-N 3.5Å; Y2881-K2883 PolarHBondContact O-N 3.26Å; Y2881-K2883 VanDerWaalsContact O-N 3.08Å; Y2881-A2884 PolarHBondContact O-N 3.37Å; Y2881-M2885 PolarHBondContact O-N 2.92Å |
| 2882 | A | 89.6 | Confident | 90.1 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -47.9 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D2879 A2884 M2885 Q2925 | D2879-A2882 VanDerWaalsContact O-CB 3.28Å; D2879-A2882 WeakPolarHBondContact O-CB 3.45Å; D2879-A2882 PolarHBondContact O-N 3.06Å; A2882-A2884 VanDerWaalsContact C-N 3.3Å; A2882-A2884 PolarHBondContact O-N 3.29Å; A2882-M2885 WeakPolarHBondContact O-CB 3.49Å; A2882-M2885 WeakPolarHBondContact O-CG 3.38Å; A2882-M2885 PolarHBondContact O-N 3.18Å; A2882-Q2925 VanDerWaalsContact CB-CD 3.42Å |
| 2883 | K | 89 | Confident | 89.9 | Confident | 209 Ų | 209 | 49 Ų | 49 | 91% | 0.909 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -70.7 | -25.7 | -179.2 | -65.6 | 179.4 | -179 | 175.1 | 0 | 113.4 | Y2881 | Y2881-K2883 PolarHBondContact O-N 3.26Å; Y2881-K2883 VanDerWaalsContact O-N 3.08Å |
| 2884 | A | 89.2 | Confident | 89.5 | Confident | 13 Ų | 13 | 52 Ų | 52 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -95.8 | 4.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F2834 Y2881 A2882 D2887 L2888 | F2834-A2884 HydrophobicContact CD1-CB 4.44Å; F2834-A2884 HydrophobicContact CE1-CB 3.49Å; F2834-A2884 VanDerWaalsContact CE1-CB 3.49Å; F2834-A2884 HydrophobicContact CZ-CB 4.04Å; Y2881-A2884 PolarHBondContact O-N 3.37Å; A2882-A2884 VanDerWaalsContact C-N 3.3Å; A2882-A2884 PolarHBondContact O-N 3.29Å; A2884-D2887 WeakPolarHBondContact O-CB 3.4Å; A2884-D2887 PolarHBondContact O-N 2.91Å; A2884-D2887 VanDerWaalsContact O-N 3.09Å; A2884-L2888 WeakPolarHBondContact O-CG 3.34Å; A2884-L2888 PolarHBondContact O-N 3.28Å |
| 2885 | M | 91.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.6 | -43.5 | 179.6 | -78 | -63.4 | -72.7 | 0 | 0 | 114.3 | Y2881 A2882 D2887 L2888 L2889 L2917 M2921 Q2925 | Y2881-M2885 PolarHBondContact O-N 2.92Å; A2882-M2885 WeakPolarHBondContact O-CB 3.49Å; A2882-M2885 WeakPolarHBondContact O-CG 3.38Å; A2882-M2885 PolarHBondContact O-N 3.18Å; M2885-D2887 VanDerWaalsContact C-N 3.29Å; M2885-D2887 PolarHBondContact O-N 3.38Å; M2885-L2888 PolarHBondContact O-N 3.21Å; M2885-L2888 HydrophobicContact SD-CD1 3.97Å; M2885-L2889 WeakPolarHBondContact O-CG 3.5Å; M2885-L2889 PolarHBondContact O-N 2.91Å; M2885-L2917 HydrophobicContact CE-CD1 4.49Å; M2885-L2917 HydrophobicContact CE-CD2 4.15Å; M2885-L2917 HydrophobicContact SD-CD2 3.95Å; M2885-M2921 HydrophobicContact CE-CB 4.45Å; M2885-M2921 HydrophobicContact CE-CG 3.91Å; M2885-M2921 HydrophobicContact CG-SD 4.22Å; M2885-M2921 HydrophobicContact SD-CE 3.95Å; M2885-M2921 HydrophobicContact SD-CG 3.72Å; M2885-M2921 HydrophobicContact SD-SD 3.66Å; M2885-M2921 VanDerWaalsContact SD-SD 3.66Å; M2885-Q2925 HydrophobicContact CE-CB 4.13Å; M2885-Q2925 HydrophobicContact CG-CB 4.19Å; M2885-Q2925 HydrophobicContact CG-CG 4.38Å; M2885-Q2925 VanDerWaalsContact CG-OE1 3.27Å |
| 2886 | P | 91.2 | Very high | 88.9 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 57% | 0.571 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.4 | -43.1 | 175.4 | -25 | 35.5 | 0 | 0 | 0 | 112.4 | L2889 E2890 | P2886-L2889 PolarHBondContact O-N 3.46Å; P2886-E2890 WeakPolarHBondContact O-CB 3.45Å; P2886-E2890 PolarHBondContact O-N 3.47Å |
| 2887 | D | 89.8 | Confident | 88.4 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 43% | 0.428 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 179.1 | -52.6 | -29.4 | 0 | 0 | 0 | 111.5 | L2838 A2884 M2885 E2890 R2891 | L2838-D2887 HydrophobicContact CD2-CB 3.83Å; A2884-D2887 WeakPolarHBondContact O-CB 3.4Å; A2884-D2887 PolarHBondContact O-N 2.91Å; A2884-D2887 VanDerWaalsContact O-N 3.09Å; M2885-D2887 VanDerWaalsContact C-N 3.29Å; M2885-D2887 PolarHBondContact O-N 3.38Å; D2887-E2890 PolarHBondContact O-N 3.48Å; D2887-R2891 WeakPolarHBondContact O-CB 3.31Å; D2887-R2891 PolarHBondContact O-N 3.39Å |
| 2888 | L | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.5 | -71 | 176.7 | 0 | 0 | 0 | 111.7 | F2834 L2838 L2869 V2873 A2884 M2885 R2891 L2892 F2913 L2917 | F2834-L2888 HydrophobicContact CZ-CD2 4.18Å; L2838-L2888 HydrophobicContact CD1-CD2 4.31Å; L2869-L2888 HydrophobicContact CD1-CD2 3.82Å; L2869-L2888 HydrophobicContact CD2-CD2 3.98Å; L2869-L2888 HydrophobicContact CG-CD2 4.16Å; V2873-L2888 HydrophobicContact CG2-CD1 4.28Å; A2884-L2888 WeakPolarHBondContact O-CG 3.34Å; A2884-L2888 PolarHBondContact O-N 3.28Å; M2885-L2888 PolarHBondContact O-N 3.21Å; M2885-L2888 HydrophobicContact SD-CD1 3.97Å; L2888-R2891 WeakPolarHBondContact O-CB 3.49Å; L2888-R2891 PolarHBondContact O-N 3.07Å; L2888-L2892 PolarHBondContact O-N 2.96Å; L2888-F2913 HydrophobicContact CB-CZ 4.19Å; L2888-F2913 HydrophobicContact CD2-CZ 4.22Å; L2888-L2917 HydrophobicContact CD1-CD2 4.5Å |
| 2889 | L | 92.3 | Very high | 86.4 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.5 | -36.3 | 178 | -65.5 | 178.4 | 0 | 0 | 0 | 112.1 | M2885 P2886 R2891 L2892 A2893 L2917 S2928 L2929 I2932 | M2885-L2889 WeakPolarHBondContact O-CG 3.5Å; M2885-L2889 PolarHBondContact O-N 2.91Å; P2886-L2889 PolarHBondContact O-N 3.46Å; L2889-R2891 VanDerWaalsContact C-N 3.27Å; L2889-R2891 PolarHBondContact O-N 3.15Å; L2889-L2892 HydrophobicContact CD2-CD2 4.29Å; L2889-L2892 WeakPolarHBondContact O-CB 3.32Å; L2889-L2892 PolarHBondContact O-N 3.11Å; L2889-A2893 WeakPolarHBondContact O-CB 3.29Å; L2889-A2893 PolarHBondContact O-N 2.82Å; L2889-L2917 HydrophobicContact CD2-CD1 4.28Å; L2889-S2928 WeakPolarHBondContact CD1-OG 3.29Å; L2889-L2929 HydrophobicContact CD2-CB 4.42Å; L2889-L2929 HydrophobicContact CD2-CD1 3.73Å; L2889-I2932 HydrophobicContact CB-CD1 4.12Å; L2889-I2932 HydrophobicContact CD2-CD1 4.28Å |
| 2890 | E | 90 | Very high | 85.4 | Confident | 139 Ų | 139 | 58 Ų | 58 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59 | -43.1 | 169.7 | -176.4 | 177.7 | -172.8 | 0 | 0 | 110.3 | P2886 D2887 L2892 A2893 E2894 | P2886-E2890 WeakPolarHBondContact O-CB 3.45Å; P2886-E2890 PolarHBondContact O-N 3.47Å; D2887-E2890 PolarHBondContact O-N 3.48Å; E2890-L2892 PolarHBondContact O-N 2.92Å; E2890-A2893 PolarHBondContact O-N 3.29Å; E2890-E2894 WeakPolarHBondContact O-CB 3.45Å; E2890-E2894 PolarHBondContact O-N 2.64Å |
| 2891 | R | 85.1 | Confident | 85 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.8 | -161.3 | 74.2 | -175 | 103.5 | 20.9 | 112.3 | L2841 F2843 L2869 D2887 L2888 L2889 E2894 C2895 | L2841-R2891 VanDerWaalsContact O-CZ 3.32Å; L2841-R2891 PolarHBondContact O-NE 3.27Å; L2841-R2891 PolarHBondContact O-NH2 2.97Å; F2843-R2891 VanDerWaalsContact CD2-CZ 3.46Å; F2843-R2891 VanDerWaalsContact CE2-NH1 3.34Å; L2869-R2891 HydrophobicContact CD2-CG 4.15Å; D2887-R2891 WeakPolarHBondContact O-CB 3.31Å; D2887-R2891 PolarHBondContact O-N 3.39Å; L2888-R2891 WeakPolarHBondContact O-CB 3.49Å; L2888-R2891 PolarHBondContact O-N 3.07Å; L2889-R2891 VanDerWaalsContact C-N 3.27Å; L2889-R2891 PolarHBondContact O-N 3.15Å; R2891-E2894 PolarHBondContact O-N 2.7Å; R2891-C2895 PolarHBondContact O-N 2.88Å; R2891-C2895 VanDerWaalsContact O-N 3.09Å; R2891-C2895 PolarHBondContact O-SG 3.46Å |
| 2892 | L | 90.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 176 | -174.2 | 60.6 | 0 | 0 | 0 | 111.5 | L2866 L2888 L2889 E2890 E2894 C2895 L2896 V2910 F2913 L2929 I2932 V2933 | L2866-L2892 HydrophobicContact CD1-CD1 4.35Å; L2866-L2892 HydrophobicContact CD2-CD1 4.3Å; L2888-L2892 PolarHBondContact O-N 2.96Å; L2889-L2892 HydrophobicContact CD2-CD2 4.29Å; L2889-L2892 WeakPolarHBondContact O-CB 3.32Å; L2889-L2892 PolarHBondContact O-N 3.11Å; E2890-L2892 PolarHBondContact O-N 2.92Å; L2892-E2894 VanDerWaalsContact C-N 3.32Å; L2892-E2894 PolarHBondContact O-N 3.3Å; L2892-C2895 VanDerWaalsContact O-CB 3.3Å; L2892-C2895 WeakPolarHBondContact O-CB 3.46Å; L2892-C2895 PolarHBondContact O-N 2.92Å; L2892-C2895 VanDerWaalsContact O-N 3.14Å; L2892-L2896 PolarHBondContact O-N 3.18Å; L2892-V2910 HydrophobicContact CD1-CB 4.2Å; L2892-V2910 HydrophobicContact CD1-CG1 3.88Å; L2892-V2910 HydrophobicContact CD1-CG2 3.98Å; L2892-F2913 HydrophobicContact CB-CD1 4.34Å; L2892-F2913 HydrophobicContact CB-CE1 4.2Å; L2892-F2913 HydrophobicContact CD1-CD1 3.58Å; L2892-F2913 HydrophobicContact CD1-CE1 4.27Å; L2892-F2913 HydrophobicContact CD1-CG 4.46Å; L2892-F2913 HydrophobicContact CD2-CD1 4Å; L2892-F2913 HydrophobicContact CD2-CE1 4.31Å; L2892-F2913 HydrophobicContact CG-CD1 4.18Å; L2892-F2913 HydrophobicContact CG-CE1 4.5Å; L2892-L2929 HydrophobicContact CD2-CD1 3.82Å; L2892-I2932 HydrophobicContact CD2-CG2 4.22Å; L2892-I2932 HydrophobicContact CG-CG2 4.4Å; L2892-V2933 HydrophobicContact CD2-CG2 4.36Å |
| 2893 | A | 89.3 | Confident | 84.9 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2889 E2890 C2895 L2896 R2897 | L2889-A2893 WeakPolarHBondContact O-CB 3.29Å; L2889-A2893 PolarHBondContact O-N 2.82Å; E2890-A2893 PolarHBondContact O-N 3.29Å; A2893-C2895 VanDerWaalsContact C-N 3.31Å; A2893-C2895 PolarHBondContact O-N 3.06Å; A2893-L2896 PolarHBondContact O-N 3.48Å; A2893-L2896 VanDerWaalsContact O-N 3.08Å; A2893-R2897 PolarHBondContact O-N 3.21Å |
| 2894 | E | 85.6 | Confident | 85 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.2 | -31.8 | 175 | -171.8 | 60 | -158.9 | 0 | 0 | 112.6 | E2890 R2891 L2892 L2896 R2897 | E2890-E2894 WeakPolarHBondContact O-CB 3.45Å; E2890-E2894 PolarHBondContact O-N 2.64Å; R2891-E2894 PolarHBondContact O-N 2.7Å; L2892-E2894 VanDerWaalsContact C-N 3.32Å; L2892-E2894 PolarHBondContact O-N 3.3Å; E2894-L2896 PolarHBondContact O-N 3.07Å; E2894-R2897 PolarHBondContact O-N 2.87Å; E2894-R2897 IonicContact OE1-CZ 2.64Å; E2894-R2897 IonicContact OE1-NE 3.67Å; E2894-R2897 IonicContact OE1-NH2 3.62Å; E2894-R2897 PolarHBondContact OE1-NH2 3.36Å; E2894-R2897 IonicContact OE2-CZ 3.2Å; E2894-R2897 IonicContact OE2-NE 3.66Å; E2894-R2897 PolarHBondContact OE2-NE 3.12Å; E2894-R2897 IonicContact OE2-NH2 2.76Å; E2894-R2897 PolarHBondContact OE2-NH2 3.33Å |
| 2895 | C | 85.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -32.7 | 171.6 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | F2843 L2866 R2891 L2892 A2893 L2898 V2906 | F2843-C2895 HydrophobicContact CE2-CB 4.31Å; F2843-C2895 WeakPolarHBondContact CE2-SG 3.48Å; F2843-C2895 WeakPolarHBondContact CZ-SG 3.36Å; L2866-C2895 HydrophobicContact CD2-CB 4.31Å; R2891-C2895 PolarHBondContact O-N 2.88Å; R2891-C2895 VanDerWaalsContact O-N 3.09Å; R2891-C2895 PolarHBondContact O-SG 3.46Å; L2892-C2895 VanDerWaalsContact O-CB 3.3Å; L2892-C2895 WeakPolarHBondContact O-CB 3.46Å; L2892-C2895 PolarHBondContact O-N 2.92Å; L2892-C2895 VanDerWaalsContact O-N 3.14Å; A2893-C2895 VanDerWaalsContact C-N 3.31Å; A2893-C2895 PolarHBondContact O-N 3.06Å; C2895-L2898 VanDerWaalsContact O-CD1 3.26Å; C2895-L2898 WeakPolarHBondContact O-CD1 3.29Å; C2895-L2898 WeakPolarHBondContact O-CG 3.09Å; C2895-V2906 HydrophobicContact CB-CG1 4.24Å |
| 2896 | L | 86.4 | Confident | 85.1 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -87.1 | -16.8 | -177.2 | -70 | 170.7 | 0 | 0 | 0 | 113.6 | L2892 A2893 E2894 L2898 V2910 I2932 E2936 | L2892-L2896 PolarHBondContact O-N 3.18Å; A2893-L2896 PolarHBondContact O-N 3.48Å; A2893-L2896 VanDerWaalsContact O-N 3.08Å; E2894-L2896 PolarHBondContact O-N 3.07Å; L2896-L2898 PolarHBondContact O-N 3.49Å; L2896-V2910 HydrophobicContact CD1-CG1 4.31Å; L2896-V2910 HydrophobicContact CD2-CG1 4.22Å; L2896-V2910 HydrophobicContact CD2-CG2 3.86Å; L2896-V2910 HydrophobicContact CG-CG2 4.18Å; L2896-I2932 HydrophobicContact CD1-CG2 3.64Å; L2896-E2936 HydrophobicContact CD1-CG 3.83Å; L2896-E2936 HydrophobicContact CD2-CG 3.93Å |
| 2897 | R | 80.2 | Confident | 85.3 | Confident | 182 Ų | 182 | 46.6 Ų | 46.6 | 69% | 0.687 | 26% | 0.264 | S | S | * | . | trans | -74.1 | 48.6 | -179.9 | -163.2 | 166.6 | 61.7 | 136.3 | 0.5 | 113 | A2893 E2894 | A2893-R2897 PolarHBondContact O-N 3.21Å; E2894-R2897 PolarHBondContact O-N 2.87Å; E2894-R2897 IonicContact OE1-CZ 2.64Å; E2894-R2897 IonicContact OE1-NE 3.67Å; E2894-R2897 IonicContact OE1-NH2 3.62Å; E2894-R2897 PolarHBondContact OE1-NH2 3.36Å; E2894-R2897 IonicContact OE2-CZ 3.2Å; E2894-R2897 IonicContact OE2-NE 3.66Å; E2894-R2897 PolarHBondContact OE2-NE 3.12Å; E2894-R2897 IonicContact OE2-NH2 2.76Å; E2894-R2897 PolarHBondContact OE2-NH2 3.33Å | ||
| 2898 | L | 68.1 | Low | 85.5 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | trans | -100 | 112 | 176.7 | -58.4 | 176.4 | 0 | 0 | 0 | 106.5 | Y2859 C2895 L2896 Q2900 I2903 V2906 | Y2859-L2898 HydrophobicContact CD1-CD1 3.95Å; Y2859-L2898 HydrophobicContact CD1-CD2 4.4Å; Y2859-L2898 HydrophobicContact CE1-CD1 3.95Å; Y2859-L2898 HydrophobicContact CE1-CD2 3.92Å; Y2859-L2898 HydrophobicContact CE1-CG 4.4Å; C2895-L2898 VanDerWaalsContact O-CD1 3.26Å; C2895-L2898 WeakPolarHBondContact O-CD1 3.29Å; C2895-L2898 WeakPolarHBondContact O-CG 3.09Å; L2896-L2898 PolarHBondContact O-N 3.49Å; L2898-Q2900 PolarHBondContact O-N 3.08Å; L2898-I2903 HydrophobicContact CB-CD1 3.62Å; L2898-I2903 HydrophobicContact CD1-CD1 3.34Å; L2898-I2903 HydrophobicContact CD1-CG1 4.49Å; L2898-I2903 HydrophobicContact CG-CD1 4.02Å; L2898-V2906 HydrophobicContact CD1-CB 4.42Å; L2898-V2906 HydrophobicContact CD1-CG1 4.23Å; L2898-V2906 HydrophobicContact CD1-CG2 4.11Å | ||
| 2899 | G | 64.4 | Low | 85.6 | Confident | 89 Ų | 89 | 45.1 Ų | 45.1 | 92% | 0.918 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 19.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2900 | Q | 67.6 | Low | 85.7 | Confident | 119 Ų | 119 | 44.5 Ų | 44.5 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | 9.8 | -171.5 | -62.4 | -167.1 | -35.8 | 0 | 0 | 114.7 | Y2859 L2898 | Y2859-Q2900 PolarHBondContact OH-OE1 3.24Å; L2898-Q2900 PolarHBondContact O-N 3.08Å |
| 2901 | G | 80 | Confident | 86 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 51% | 0.505 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 83.3 | -149 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I2903 | G2901-I2903 PolarHBondContact O-N 3.38Š|
| 2902 | I | 86.6 | Confident | 86.4 | Confident | 47 Ų | 47 | 36.9 Ų | 36.9 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | trans | -73.1 | 119.1 | -171.8 | -58.5 | 165 | 0 | 0 | 0 | 110.6 | L2939 L2981 | I2902-L2939 VanDerWaalsContact CD1-C 3.49Å; I2902-L2939 HydrophobicContact CD1-CB 3.99Å; I2902-L2939 VanDerWaalsContact CD1-O 3.22Å; I2902-L2939 WeakPolarHBondContact CD1-O 3.2Å; I2902-L2939 HydrophobicContact CG1-CB 4.27Å; I2902-L2981 HydrophobicContact CG2-CD2 3.61Å | ||
| 2903 | I | 89.5 | Confident | 86.7 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | trans | -109.8 | 108.5 | 174 | -67.5 | 159.3 | 0 | 0 | 0 | 108 | Y2859 L2898 G2901 V2905 V2906 H2907 | Y2859-I2903 HydrophobicContact CD1-CD1 3.89Å; Y2859-I2903 HydrophobicContact CD1-CG2 4.3Å; Y2859-I2903 HydrophobicContact CD2-CD1 4.4Å; Y2859-I2903 HydrophobicContact CD2-CG2 4.04Å; Y2859-I2903 HydrophobicContact CE1-CD1 3.48Å; Y2859-I2903 VanDerWaalsContact CE1-CD1 3.48Å; Y2859-I2903 HydrophobicContact CE2-CD1 4.02Å; Y2859-I2903 HydrophobicContact CG-CD1 4.36Å; Y2859-I2903 HydrophobicContact CG-CG2 3.88Å; L2898-I2903 HydrophobicContact CB-CD1 3.62Å; L2898-I2903 HydrophobicContact CD1-CD1 3.34Å; L2898-I2903 HydrophobicContact CD1-CG1 4.49Å; L2898-I2903 HydrophobicContact CG-CD1 4.02Å; G2901-I2903 PolarHBondContact O-N 3.38Å; I2903-V2905 HydrophobicContact CG2-CG2 4.04Å; I2903-V2905 PolarHBondContact O-N 2.85Å; I2903-V2906 HydrophobicContact CB-CB 4.45Å; I2903-V2906 HydrophobicContact CB-CG2 4.49Å; I2903-V2906 HydrophobicContact CG2-CB 4.21Å; I2903-V2906 HydrophobicContact CG2-CG2 3.84Å; I2903-V2906 PolarHBondContact O-N 3.06Å; I2903-H2907 PolarHBondContact N-CE1 3.47Å; I2903-H2907 PolarHBondContact N-ND1 2.93Å; I2903-H2907 PolarHBondContact O-N 2.86Å; I2903-H2907 PolarHBondContact O-ND1 2.61Å | ||
| 2904 | P | 90.5 | Very high | 86.9 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | -167.4 | -28.7 | 34.7 | 0 | 0 | 0 | 115 | V2906 H2907 T2908 S2977 Q2978 L2981 | P2904-V2906 PolarHBondContact O-N 2.96Å; P2904-H2907 PolarHBondContact O-N 3.32Å; P2904-T2908 WeakPolarHBondContact O-CB 3.19Å; P2904-T2908 PolarHBondContact O-N 3.47Å; P2904-T2908 PolarHBondContact O-OG1 3.46Å; P2904-S2977 WeakPolarHBondContact CB-O 3.48Å; P2904-Q2978 HydrophobicContact CG-CG 4.09Å; P2904-L2981 HydrophobicContact CB-CB 4.08Å; P2904-L2981 HydrophobicContact CB-CD2 4.17Å; P2904-L2981 HydrophobicContact CG-CD2 4.34Å |
| 2905 | V | 91.3 | Very high | 87.3 | Confident | 35 Ų | 35 | 31.9 Ų | 31.9 | 21% | 0.212 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | -178 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | A2863 I2903 | A2863-V2905 HydrophobicContact CB-CB 4.35Å; A2863-V2905 WeakPolarHBondContact CB-O 3.42Å; I2903-V2905 HydrophobicContact CG2-CG2 4.04Å; I2903-V2905 PolarHBondContact O-N 2.85Å |
| 2906 | V | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.3 | -48.6 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | R2862 C2895 L2898 I2903 P2904 T2908 Q2909 V2910 | R2862-V2906 HydrophobicContact CB-CG2 4.09Å; C2895-V2906 HydrophobicContact CB-CG1 4.24Å; L2898-V2906 HydrophobicContact CD1-CB 4.42Å; L2898-V2906 HydrophobicContact CD1-CG1 4.23Å; L2898-V2906 HydrophobicContact CD1-CG2 4.11Å; I2903-V2906 HydrophobicContact CB-CB 4.45Å; I2903-V2906 HydrophobicContact CB-CG2 4.49Å; I2903-V2906 HydrophobicContact CG2-CB 4.21Å; I2903-V2906 HydrophobicContact CG2-CG2 3.84Å; I2903-V2906 PolarHBondContact O-N 3.06Å; P2904-V2906 PolarHBondContact O-N 2.96Å; V2906-T2908 VanDerWaalsContact C-N 3.3Å; V2906-T2908 PolarHBondContact O-N 3.41Å; V2906-Q2909 PolarHBondContact O-N 3.33Å; V2906-V2910 HydrophobicContact CG1-CG2 4.32Å; V2906-V2910 WeakPolarHBondContact O-CG2 3.25Å; V2906-V2910 PolarHBondContact O-N 3.21Å |
| 2907 | H | 94.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -33.5 | -177.3 | -73.1 | 68.7 | 0 | 0 | 0 | 112.3 | I2903 P2904 Q2909 V2910 F2911 E2936 L2981 | I2903-H2907 PolarHBondContact N-CE1 3.47Å; I2903-H2907 PolarHBondContact N-ND1 2.93Å; I2903-H2907 PolarHBondContact O-N 2.86Å; I2903-H2907 PolarHBondContact O-ND1 2.61Å; P2904-H2907 PolarHBondContact O-N 3.32Å; H2907-Q2909 PolarHBondContact O-N 3.04Å; H2907-V2910 WeakPolarHBondContact O-CB 3.38Å; H2907-V2910 PolarHBondContact O-N 3.39Å; H2907-F2911 HydrophobicContact CB-CE2 4.27Å; H2907-F2911 WeakPolarHBondContact O-CD2 3.29Å; H2907-F2911 WeakPolarHBondContact O-CG 3.12Å; H2907-F2911 PolarHBondContact O-N 2.99Å; H2907-E2936 IonicContact CD2-OE2 2.98Å; H2907-E2936 IonicContact NE2-OE2 2.78Å; H2907-E2936 PolarHBondContact NE2-OE2 3.46Å; H2907-L2981 HydrophobicContact CB-CD1 3.33Å |
| 2908 | T | 94.6 | Very high | 88.7 | Confident | 19 Ų | 19 | 22 Ų | 22 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.3 | -43.7 | 171.4 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | P2904 V2906 L2912 N2980 L2981 S2984 | P2904-T2908 WeakPolarHBondContact O-CB 3.19Å; P2904-T2908 PolarHBondContact O-N 3.47Å; P2904-T2908 PolarHBondContact O-OG1 3.46Å; V2906-T2908 VanDerWaalsContact C-N 3.3Å; V2906-T2908 PolarHBondContact O-N 3.41Å; T2908-L2912 PolarHBondContact O-N 3.29Å; T2908-L2912 VanDerWaalsContact O-N 3.14Å; T2908-N2980 HydrophobicContact CG2-CB 4.36Å; T2908-L2981 VanDerWaalsContact OG1-CA 3.29Å; T2908-L2981 WeakPolarHBondContact OG1-CA 3.43Å; T2908-L2981 PolarHBondContact OG1-N 2.81Å; T2908-S2984 PolarHBondContact O-OG 2.82Å |
| 2909 | Q | 94.3 | Very high | 89.8 | Confident | 30 Ų | 30 | 21.2 Ų | 21.2 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -78.5 | -29.6 | 179.5 | -59 | -55.3 | -38.3 | 0 | 0 | 112.9 | A2863 L2866 K2867 V2906 H2907 L2912 F2913 | A2863-Q2909 HydrophobicContact CB-CG 3.87Å; L2866-Q2909 HydrophobicContact CB-CB 4.25Å; L2866-Q2909 HydrophobicContact CD2-CB 3.93Å; L2866-Q2909 HydrophobicContact CG-CB 4.16Å; K2867-Q2909 HydrophobicContact CB-CG 4.4Å; K2867-Q2909 VanDerWaalsContact CB-OE1 3.26Å; V2906-Q2909 PolarHBondContact O-N 3.33Å; H2907-Q2909 PolarHBondContact O-N 3.04Å; Q2909-L2912 PolarHBondContact O-N 3.42Å; Q2909-F2913 VanDerWaalsContact O-CB 3.31Å; Q2909-F2913 WeakPolarHBondContact O-CB 3.05Å; Q2909-F2913 PolarHBondContact O-N 3.2Å |
| 2910 | V | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 171.2 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | L2866 L2892 L2896 V2906 H2907 F2913 A2914 | L2866-V2910 HydrophobicContact CD2-CB 4.38Å; L2866-V2910 HydrophobicContact CD2-CG2 3.67Å; L2892-V2910 HydrophobicContact CD1-CB 4.2Å; L2892-V2910 HydrophobicContact CD1-CG1 3.88Å; L2892-V2910 HydrophobicContact CD1-CG2 3.98Å; L2896-V2910 HydrophobicContact CD1-CG1 4.31Å; L2896-V2910 HydrophobicContact CD2-CG1 4.22Å; L2896-V2910 HydrophobicContact CD2-CG2 3.86Å; L2896-V2910 HydrophobicContact CG-CG2 4.18Å; V2906-V2910 HydrophobicContact CG1-CG2 4.32Å; V2906-V2910 WeakPolarHBondContact O-CG2 3.25Å; V2906-V2910 PolarHBondContact O-N 3.21Å; H2907-V2910 WeakPolarHBondContact O-CB 3.38Å; H2907-V2910 PolarHBondContact O-N 3.39Å; V2910-F2913 PolarHBondContact O-N 2.89Å; V2910-A2914 WeakPolarHBondContact O-CB 3.43Å; V2910-A2914 PolarHBondContact O-N 3.28Å |
| 2911 | F | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.9 | -37.5 | 178 | -62.4 | -40.4 | 0 | 0 | 0 | 112.3 | H2907 A2914 R2915 V2933 E2936 L2937 T2940 L2981 S2984 A2985 L2988 | H2907-F2911 HydrophobicContact CB-CE2 4.27Å; H2907-F2911 WeakPolarHBondContact O-CD2 3.29Å; H2907-F2911 WeakPolarHBondContact O-CG 3.12Å; H2907-F2911 PolarHBondContact O-N 2.99Å; F2911-A2914 PolarHBondContact O-N 3.03Å; F2911-R2915 WeakPolarHBondContact O-CG 3.44Å; F2911-R2915 PolarHBondContact O-N 3.18Å; F2911-V2933 HydrophobicContact CD1-CG1 4.39Å; F2911-E2936 HydrophobicContact CE1-CB 4.11Å; F2911-E2936 HydrophobicContact CZ-CB 4.24Å; F2911-L2937 HydrophobicContact CE1-CB 4.41Å; F2911-L2937 HydrophobicContact CE1-CD1 4.44Å; F2911-T2940 HydrophobicContact CE2-CG2 4.08Å; F2911-T2940 WeakPolarHBondContact CE2-OG1 3.26Å; F2911-T2940 VanDerWaalsContact CZ-OG1 3.31Å; F2911-T2940 WeakPolarHBondContact CZ-OG1 3.44Å; F2911-L2981 HydrophobicContact CD2-CD1 4.14Å; F2911-L2981 HydrophobicContact CE2-CD1 3.73Å; F2911-S2984 WeakPolarHBondContact CB-OG 3.11Å; F2911-A2985 HydrophobicContact CD2-CB 3.92Å; F2911-A2985 HydrophobicContact CE2-CB 3.79Å; F2911-A2985 HydrophobicContact CZ-CB 4.43Å; F2911-L2988 HydrophobicContact CB-CB 4.31Å; F2911-L2988 HydrophobicContact CB-CD2 4.19Å; F2911-L2988 HydrophobicContact CD1-CD2 3.48Å; F2911-L2988 VanDerWaalsContact CD1-CD2 3.48Å; F2911-L2988 HydrophobicContact CE1-CD2 4.23Å; F2911-L2988 HydrophobicContact CG-CD2 4.14Å |
| 2912 | L | 95 | Very high | 92.6 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 170.8 | 179.7 | 62.1 | 0 | 0 | 0 | 111.3 | T2908 Q2909 A2914 R2915 V2916 L3133 E3136 F3137 | T2908-L2912 PolarHBondContact O-N 3.29Å; T2908-L2912 VanDerWaalsContact O-N 3.14Å; Q2909-L2912 PolarHBondContact O-N 3.42Å; L2912-A2914 VanDerWaalsContact C-N 3.34Å; L2912-A2914 PolarHBondContact O-N 2.8Å; L2912-R2915 WeakPolarHBondContact O-CB 3.2Å; L2912-R2915 PolarHBondContact O-N 3.44Å; L2912-V2916 WeakPolarHBondContact O-CG2 3.31Å; L2912-V2916 PolarHBondContact O-N 2.83Å; L2912-L3133 HydrophobicContact CD1-CD2 4.25Å; L2912-E3136 HydrophobicContact CD1-CB 3.64Å; L2912-E3136 HydrophobicContact CD1-CG 3.72Å; L2912-E3136 HydrophobicContact CD2-CB 4.26Å; L2912-F3137 HydrophobicContact CD2-CE1 4.13Å |
| 2913 | F | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 178.4 | -174.2 | -118.9 | 0 | 0 | 0 | 111.7 | L2866 L2869 S2870 V2873 L2888 L2892 Q2909 V2910 R2915 V2916 L2917 | L2866-F2913 HydrophobicContact CD1-CB 4.18Å; L2866-F2913 HydrophobicContact CD1-CD1 4.17Å; L2866-F2913 HydrophobicContact CD1-CD2 4.39Å; L2866-F2913 HydrophobicContact CD1-CG 3.99Å; L2866-F2913 HydrophobicContact CG-CB 4.37Å; L2869-F2913 HydrophobicContact CD2-CE2 4.24Å; L2869-F2913 HydrophobicContact CD2-CZ 4.17Å; L2869-F2913 HydrophobicContact CG-CE2 3.98Å; L2869-F2913 HydrophobicContact CG-CZ 4.36Å; S2870-F2913 WeakPolarHBondContact OG-CA 3.49Å; S2870-F2913 WeakPolarHBondContact OG-CB 3.33Å; S2870-F2913 VanDerWaalsContact OG-CD2 3.32Å; S2870-F2913 WeakPolarHBondContact OG-CD2 3.44Å; V2873-F2913 HydrophobicContact CG2-CE2 4.19Å; L2888-F2913 HydrophobicContact CB-CZ 4.19Å; L2888-F2913 HydrophobicContact CD2-CZ 4.22Å; L2892-F2913 HydrophobicContact CB-CD1 4.34Å; L2892-F2913 HydrophobicContact CB-CE1 4.2Å; L2892-F2913 HydrophobicContact CD1-CD1 3.58Å; L2892-F2913 HydrophobicContact CD1-CE1 4.27Å; L2892-F2913 HydrophobicContact CD1-CG 4.46Å; L2892-F2913 HydrophobicContact CD2-CD1 4Å; L2892-F2913 HydrophobicContact CD2-CE1 4.31Å; L2892-F2913 HydrophobicContact CG-CD1 4.18Å; L2892-F2913 HydrophobicContact CG-CE1 4.5Å; Q2909-F2913 VanDerWaalsContact O-CB 3.31Å; Q2909-F2913 WeakPolarHBondContact O-CB 3.05Å; Q2909-F2913 PolarHBondContact O-N 3.2Å; V2910-F2913 PolarHBondContact O-N 2.89Å; F2913-R2915 VanDerWaalsContact C-N 3.35Å; F2913-R2915 PolarHBondContact O-N 3.41Å; F2913-V2916 PolarHBondContact O-N 2.78Å; F2913-L2917 HydrophobicContact CD1-CD1 3.85Å; F2913-L2917 HydrophobicContact CD1-CG 4.37Å; F2913-L2917 HydrophobicContact CE1-CD1 3.52Å; F2913-L2917 HydrophobicContact CE1-CG 4.12Å; F2913-L2917 HydrophobicContact CE2-CD2 4.37Å; F2913-L2917 HydrophobicContact CE2-CG 4.34Å; F2913-L2917 HydrophobicContact CZ-CD1 3.93Å; F2913-L2917 HydrophobicContact CZ-CD2 4.08Å; F2913-L2917 HydrophobicContact CZ-CG 4.1Å; F2913-L2917 WeakPolarHBondContact O-CG 3.31Å; F2913-L2917 PolarHBondContact O-N 3.06Å |
| 2914 | A | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2910 F2911 L2912 V2916 L2917 I2918 L2929 V2933 L2988 | V2910-A2914 WeakPolarHBondContact O-CB 3.43Å; V2910-A2914 PolarHBondContact O-N 3.28Å; F2911-A2914 PolarHBondContact O-N 3.03Å; L2912-A2914 VanDerWaalsContact C-N 3.34Å; L2912-A2914 PolarHBondContact O-N 2.8Å; A2914-V2916 PolarHBondContact O-N 3.14Å; A2914-L2917 PolarHBondContact O-N 3.26Å; A2914-I2918 WeakPolarHBondContact O-CD1 3.47Å; A2914-I2918 VanDerWaalsContact O-CG1 3.25Å; A2914-I2918 WeakPolarHBondContact O-CG1 3.48Å; A2914-I2918 PolarHBondContact O-N 2.94Å; A2914-L2929 HydrophobicContact CB-CD1 4.5Å; A2914-L2929 HydrophobicContact CB-CD2 4.39Å; A2914-V2933 HydrophobicContact CB-CG1 4.07Å; A2914-V2933 HydrophobicContact CB-CG2 3.84Å; A2914-L2988 HydrophobicContact CB-CD1 3.93Å; A2914-L2988 HydrophobicContact CB-CD2 4.28Å |
| 2915 | R | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 175 | -71.3 | 175.1 | 69.6 | -152.2 | -4.3 | 112.2 | F2911 L2912 F2913 I2918 S2919 L2988 T2991 L3083 S3132 L3133 E3136 | F2911-R2915 WeakPolarHBondContact O-CG 3.44Å; F2911-R2915 PolarHBondContact O-N 3.18Å; L2912-R2915 WeakPolarHBondContact O-CB 3.2Å; L2912-R2915 PolarHBondContact O-N 3.44Å; F2913-R2915 VanDerWaalsContact C-N 3.35Å; F2913-R2915 PolarHBondContact O-N 3.41Å; R2915-I2918 PolarHBondContact O-N 3.4Å; R2915-S2919 PolarHBondContact O-N 3.26Å; R2915-L2988 HydrophobicContact CG-CB 3.86Å; R2915-L2988 HydrophobicContact CG-CD1 3.59Å; R2915-L2988 HydrophobicContact CG-CG 4.33Å; R2915-T2991 PolarHBondContact NE-OG1 3.22Å; R2915-L3083 VanDerWaalsContact NH2-CD2 3.32Å; R2915-S3132 PolarHBondContact NH2-OG 2.93Å; R2915-L3133 HydrophobicContact CB-CD2 3.92Å; R2915-E3136 IonicContact NH1-OE1 3.12Å; R2915-E3136 PolarHBondContact NH1-OE1 2.8Å |
| 2916 | V | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 176.4 | 171 | 0 | 0 | 0 | 0 | 110.8 | S2870 V2873 L2912 F2913 A2914 I2918 S2919 R2920 L3133 F3137 | S2870-V2916 WeakPolarHBondContact O-CG1 3.4Å; V2873-V2916 HydrophobicContact CB-CG1 4.02Å; V2873-V2916 HydrophobicContact CG1-CG1 3.94Å; L2912-V2916 WeakPolarHBondContact O-CG2 3.31Å; L2912-V2916 PolarHBondContact O-N 2.83Å; F2913-V2916 PolarHBondContact O-N 2.78Å; A2914-V2916 PolarHBondContact O-N 3.14Å; V2916-I2918 VanDerWaalsContact C-N 3.33Å; V2916-I2918 PolarHBondContact O-N 3.15Å; V2916-S2919 PolarHBondContact O-N 3.44Å; V2916-S2919 VanDerWaalsContact O-N 3.14Å; V2916-R2920 HydrophobicContact CG1-CG 4.46Å; V2916-R2920 WeakPolarHBondContact O-CB 3.49Å; V2916-R2920 PolarHBondContact O-N 3.17Å; V2916-L3133 HydrophobicContact CG2-CD2 4Å; V2916-F3137 HydrophobicContact CG2-CZ 4.04Å |
| 2917 | L | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 176.6 | -71 | 177.5 | 0 | 0 | 0 | 111.4 | V2873 M2885 L2888 L2889 F2913 A2914 S2919 R2920 M2921 L2926 L2929 | V2873-L2917 HydrophobicContact CG1-CD2 4.18Å; M2885-L2917 HydrophobicContact CE-CD1 4.49Å; M2885-L2917 HydrophobicContact CE-CD2 4.15Å; M2885-L2917 HydrophobicContact SD-CD2 3.95Å; L2888-L2917 HydrophobicContact CD1-CD2 4.5Å; L2889-L2917 HydrophobicContact CD2-CD1 4.28Å; F2913-L2917 HydrophobicContact CD1-CD1 3.85Å; F2913-L2917 HydrophobicContact CD1-CG 4.37Å; F2913-L2917 HydrophobicContact CE1-CD1 3.52Å; F2913-L2917 HydrophobicContact CE1-CG 4.12Å; F2913-L2917 HydrophobicContact CE2-CD2 4.37Å; F2913-L2917 HydrophobicContact CE2-CG 4.34Å; F2913-L2917 HydrophobicContact CZ-CD1 3.93Å; F2913-L2917 HydrophobicContact CZ-CD2 4.08Å; F2913-L2917 HydrophobicContact CZ-CG 4.1Å; F2913-L2917 WeakPolarHBondContact O-CG 3.31Å; F2913-L2917 PolarHBondContact O-N 3.06Å; A2914-L2917 PolarHBondContact O-N 3.26Å; L2917-S2919 PolarHBondContact O-N 3.24Å; L2917-R2920 PolarHBondContact O-N 3.26Å; L2917-M2921 HydrophobicContact CB-CG 4.46Å; L2917-M2921 HydrophobicContact CD2-CE 4.15Å; L2917-M2921 HydrophobicContact CD2-CG 3.95Å; L2917-M2921 VanDerWaalsContact O-CB 3.23Å; L2917-M2921 WeakPolarHBondContact O-CB 3.31Å; L2917-M2921 WeakPolarHBondContact O-CG 3.18Å; L2917-M2921 PolarHBondContact O-N 3.05Å; L2917-L2926 HydrophobicContact CB-CD2 4.16Å; L2917-L2929 HydrophobicContact CB-CD2 4.31Å; L2917-L2929 HydrophobicContact CD1-CD1 3.84Å; L2917-L2929 HydrophobicContact CD1-CD2 4.49Å |
| 2918 | I | 92.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.8 | -37.5 | 176.2 | -70.9 | 163.8 | 0 | 0 | 0 | 111.5 | A2914 R2915 V2916 L2926 L2929 W2930 L2988 T2991 Y2995 L3000 | A2914-I2918 WeakPolarHBondContact O-CD1 3.47Å; A2914-I2918 VanDerWaalsContact O-CG1 3.25Å; A2914-I2918 WeakPolarHBondContact O-CG1 3.48Å; A2914-I2918 PolarHBondContact O-N 2.94Å; R2915-I2918 PolarHBondContact O-N 3.4Å; V2916-I2918 VanDerWaalsContact C-N 3.33Å; V2916-I2918 PolarHBondContact O-N 3.15Å; I2918-L2926 HydrophobicContact CG1-CD1 4.42Å; I2918-L2926 HydrophobicContact CG1-CD2 4.37Å; I2918-L2929 HydrophobicContact CG1-CD2 4.17Å; I2918-W2930 HydrophobicContact CD1-CH2 3.66Å; I2918-W2930 HydrophobicContact CD1-CZ2 4.38Å; I2918-W2930 HydrophobicContact CD1-CZ3 4.3Å; I2918-W2930 HydrophobicContact CG1-CH2 4.19Å; I2918-W2930 HydrophobicContact CG1-CZ2 4.43Å; I2918-L2988 HydrophobicContact CD1-CD1 3.65Å; I2918-T2991 HydrophobicContact CG2-CG2 4.37Å; I2918-Y2995 HydrophobicContact CG2-CD2 3.54Å; I2918-Y2995 HydrophobicContact CG2-CE2 3.55Å; I2918-L3000 HydrophobicContact CG1-CD2 4.43Å; I2918-L3000 HydrophobicContact CG2-CD1 3.86Å; I2918-L3000 HydrophobicContact CG2-CD2 3.91Å; I2918-L3000 HydrophobicContact CG2-CG 4.37Å |
| 2919 | S | 90.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.6 | -42.5 | 178.2 | -153.8 | 0 | 0 | 0 | 0 | 112.6 | R2915 V2916 L2917 Y2995 R2999 E3130 | R2915-S2919 PolarHBondContact O-N 3.26Å; V2916-S2919 PolarHBondContact O-N 3.44Å; V2916-S2919 VanDerWaalsContact O-N 3.14Å; L2917-S2919 PolarHBondContact O-N 3.24Å; S2919-Y2995 PolarHBondContact OG-OH 2.94Å; S2919-R2999 PolarHBondContact O-NH2 2.92Å; S2919-E3130 PolarHBondContact OG-OE1 2.98Å; S2919-E3130 VanDerWaalsContact OG-OE1 3.11Å |
| 2920 | R | 92.1 | Very high | 92 | Very high | 38 Ų | 38 | 19.6 Ų | 19.6 | 14% | 0.143 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -98.5 | -14.6 | -168.4 | -67.8 | -70.4 | -174.2 | -118 | -12.1 | 115.2 | V2873 Y2874 S2876 P2878 D2879 V2916 L2917 E3130 | V2873-R2920 HydrophobicContact CG1-CB 4.28Å; Y2874-R2920 VanDerWaalsContact O-CZ 3.25Å; Y2874-R2920 PolarHBondContact O-NE 3.21Å; Y2874-R2920 PolarHBondContact O-NH2 3.39Å; S2876-R2920 WeakPolarHBondContact O-CD 3.2Å; S2876-R2920 PolarHBondContact O-NE 3.29Å; S2876-R2920 VanDerWaalsContact O-NE 3.16Å; P2878-R2920 CarbonylContact C-O 3.59Å; P2878-R2920 VanDerWaalsContact CA-O 3.23Å; P2878-R2920 WeakPolarHBondContact CA-O 3.26Å; D2879-R2920 PolarHBondContact N-O 2.91Å; V2916-R2920 HydrophobicContact CG1-CG 4.46Å; V2916-R2920 WeakPolarHBondContact O-CB 3.49Å; V2916-R2920 PolarHBondContact O-N 3.17Å; L2917-R2920 PolarHBondContact O-N 3.26Å; R2920-E3130 IonicContact CZ-OE1 2.76Å; R2920-E3130 VanDerWaalsContact CZ-OE1 3.26Å; R2920-E3130 IonicContact CZ-OE2 3.94Å; R2920-E3130 IonicContact NH1-OE1 2.68Å; R2920-E3130 PolarHBondContact NH1-OE1 2.97Å; R2920-E3130 IonicContact NH1-OE2 2.71Å; R2920-E3130 IonicContact NH2-OE1 3.66Å; R2920-E3130 PolarHBondContact NH2-OE1 3.07Å; R2920-E3130 IonicContact NH2-OE2 2.69Å; R2920-E3130 PolarHBondContact NH2-OE2 3.22Å |
| 2921 | M | 90.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -110.4 | 145.1 | -178.2 | -57 | -63.5 | 158.9 | 0 | 0 | 111.6 | V2873 M2885 L2917 Q2925 L2926 | V2873-M2921 HydrophobicContact CG1-CE 3.66Å; M2885-M2921 HydrophobicContact CE-CB 4.45Å; M2885-M2921 HydrophobicContact CE-CG 3.91Å; M2885-M2921 HydrophobicContact CG-SD 4.22Å; M2885-M2921 HydrophobicContact SD-CE 3.95Å; M2885-M2921 HydrophobicContact SD-CG 3.72Å; M2885-M2921 HydrophobicContact SD-SD 3.66Å; M2885-M2921 VanDerWaalsContact SD-SD 3.66Å; L2917-M2921 HydrophobicContact CB-CG 4.46Å; L2917-M2921 HydrophobicContact CD2-CE 4.15Å; L2917-M2921 HydrophobicContact CD2-CG 3.95Å; L2917-M2921 VanDerWaalsContact O-CB 3.23Å; L2917-M2921 WeakPolarHBondContact O-CB 3.31Å; L2917-M2921 WeakPolarHBondContact O-CG 3.18Å; L2917-M2921 PolarHBondContact O-N 3.05Å; M2921-Q2925 HydrophobicContact CB-CB 4.35Å; M2921-Q2925 PolarHBondContact SD-OE1 2.55Å; M2921-L2926 HydrophobicContact CB-CD2 4.03Å; M2921-L2926 HydrophobicContact CB-CG 4.25Å |
| 2922 | S | 89.3 | Confident | 91.6 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 26% | 0.259 | 14% | 0.143 | S | C | . | . | trans | -67.1 | 155.6 | 172.1 | 50 | 0 | 0 | 0 | 0 | 112.5 | D2879 I2924 Q2925 L2926 | D2879-S2922 VanDerWaalsContact OD1-CB 3.27Å; D2879-S2922 WeakPolarHBondContact OD1-CB 3.45Å; D2879-S2922 PolarHBondContact OD1-N 3.41Å; D2879-S2922 PolarHBondContact OD1-OG 3.25Å; D2879-S2922 VanDerWaalsContact OD2-CB 3.32Å; D2879-S2922 WeakPolarHBondContact OD2-CB 3.37Å; D2879-S2922 PolarHBondContact OD2-OG 3.01Å; S2922-I2924 PolarHBondContact O-N 3.15Å; S2922-I2924 VanDerWaalsContact O-N 3.09Å; S2922-Q2925 PolarHBondContact O-N 3.09Å; S2922-Q2925 PolarHBondContact OG-NE2 3.49Å; S2922-Q2925 VanDerWaalsContact OG-NE2 3.11Å; S2922-L2926 PolarHBondContact O-N 3Å | ||
| 2923 | A | 87.5 | Confident | 91.4 | Very high | 20 Ų | 20 | 25 Ų | 25 | 17% | 0.165 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -46.6 | -44.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q2925 L2926 N2927 R2999 P3001 | A2923-Q2925 VanDerWaalsContact C-N 3.28Å; A2923-Q2925 PolarHBondContact O-N 3.46Å; A2923-L2926 PolarHBondContact O-N 2.99Å; A2923-L2926 VanDerWaalsContact O-N 3.12Å; A2923-N2927 PolarHBondContact O-OD1 3.22Å; A2923-R2999 VanDerWaalsContact CB-O 3.23Å; A2923-R2999 WeakPolarHBondContact CB-O 3.18Å; A2923-P3001 HydrophobicContact CB-CG 4.25Å |
| 2924 | I | 88.4 | Confident | 91.2 | Very high | 135 Ų | 135 | 25.4 Ų | 25.4 | 69% | 0.692 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -59.5 | -39 | -176.2 | -60.9 | 170.3 | 0 | 0 | 0 | 111.8 | S2922 L2926 N2927 | S2922-I2924 PolarHBondContact O-N 3.15Å; S2922-I2924 VanDerWaalsContact O-N 3.09Å; I2924-L2926 VanDerWaalsContact C-N 3.34Å; I2924-N2927 VanDerWaalsContact O-CG 3.24Å; I2924-N2927 PolarHBondContact O-OD1 3.44Å |
| 2925 | Q | 87.8 | Confident | 91 | Very high | 33 Ų | 33 | 28.3 Ų | 28.3 | 15% | 0.154 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -78.9 | -21.8 | -177.5 | -65 | 169.7 | 36.2 | 0 | 0 | 112.5 | D2879 A2882 M2885 M2921 S2922 A2923 N2927 S2928 | D2879-Q2925 PolarHBondContact OD1-NE2 3.07Å; A2882-Q2925 VanDerWaalsContact CB-CD 3.42Å; M2885-Q2925 HydrophobicContact CE-CB 4.13Å; M2885-Q2925 HydrophobicContact CG-CB 4.19Å; M2885-Q2925 HydrophobicContact CG-CG 4.38Å; M2885-Q2925 VanDerWaalsContact CG-OE1 3.27Å; M2921-Q2925 HydrophobicContact CB-CB 4.35Å; M2921-Q2925 PolarHBondContact SD-OE1 2.55Å; S2922-Q2925 PolarHBondContact O-N 3.09Å; S2922-Q2925 PolarHBondContact OG-NE2 3.49Å; S2922-Q2925 VanDerWaalsContact OG-NE2 3.11Å; A2923-Q2925 VanDerWaalsContact C-N 3.28Å; A2923-Q2925 PolarHBondContact O-N 3.46Å; Q2925-N2927 VanDerWaalsContact C-N 3.27Å; Q2925-N2927 PolarHBondContact O-N 3.35Å; Q2925-S2928 PolarHBondContact O-OG 3.25Å |
| 2926 | L | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77.5 | -12.8 | 178.5 | -63.8 | 173.7 | 0 | 0 | 0 | 112.6 | L2917 I2918 M2921 S2922 A2923 I2924 S2928 L2929 W2930 L3000 | L2917-L2926 HydrophobicContact CB-CD2 4.16Å; I2918-L2926 HydrophobicContact CG1-CD1 4.42Å; I2918-L2926 HydrophobicContact CG1-CD2 4.37Å; M2921-L2926 HydrophobicContact CB-CD2 4.03Å; M2921-L2926 HydrophobicContact CB-CG 4.25Å; S2922-L2926 PolarHBondContact O-N 3Å; A2923-L2926 PolarHBondContact O-N 2.99Å; A2923-L2926 VanDerWaalsContact O-N 3.12Å; I2924-L2926 VanDerWaalsContact C-N 3.34Å; L2926-S2928 PolarHBondContact O-N 3.31Å; L2926-L2929 HydrophobicContact CD2-CD2 3.79Å; L2926-L2929 VanDerWaalsContact O-CB 3.24Å; L2926-L2929 WeakPolarHBondContact O-CB 3.38Å; L2926-L2929 PolarHBondContact O-N 3.27Å; L2926-W2930 PolarHBondContact O-NE1 2.98Å; L2926-L3000 HydrophobicContact CD1-CD2 3.46Å; L2926-L3000 VanDerWaalsContact CD1-CD2 3.46Å |
| 2927 | N | 88.9 | Confident | 90.7 | Very high | 70 Ų | 70 | 30.2 Ų | 30.2 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -40.4 | 179.6 | -64.7 | 6.3 | 0 | 0 | 0 | 113 | A2923 I2924 Q2925 L2929 P2931 Q3002 | A2923-N2927 PolarHBondContact O-OD1 3.22Å; I2924-N2927 VanDerWaalsContact O-CG 3.24Å; I2924-N2927 PolarHBondContact O-OD1 3.44Å; Q2925-N2927 VanDerWaalsContact C-N 3.27Å; Q2925-N2927 PolarHBondContact O-N 3.35Å; N2927-L2929 VanDerWaalsContact C-N 3.34Å; N2927-P2931 WeakPolarHBondContact O-CD 3.29Å; N2927-Q3002 PolarHBondContact OD1-NE2 3.34Å; N2927-Q3002 PolarHBondContact OD1-OE1 3.23Å; N2927-Q3002 VanDerWaalsContact OD1-OE1 3.04Å |
| 2928 | S | 90.6 | Very high | 90.5 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 44% | 0.441 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.9 | 179.6 | 45.7 | 0 | 0 | 0 | 0 | 114 | L2889 Q2925 L2926 | L2889-S2928 WeakPolarHBondContact CD1-OG 3.29Å; Q2925-S2928 PolarHBondContact O-OG 3.25Å; L2926-S2928 PolarHBondContact O-N 3.31Å |
| 2929 | L | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -43.4 | 178 | -178.6 | 67.1 | 0 | 0 | 0 | 111.7 | L2889 L2892 A2914 L2917 I2918 L2926 N2927 I2932 V2933 | L2889-L2929 HydrophobicContact CD2-CB 4.42Å; L2889-L2929 HydrophobicContact CD2-CD1 3.73Å; L2892-L2929 HydrophobicContact CD2-CD1 3.82Å; A2914-L2929 HydrophobicContact CB-CD1 4.5Å; A2914-L2929 HydrophobicContact CB-CD2 4.39Å; L2917-L2929 HydrophobicContact CB-CD2 4.31Å; L2917-L2929 HydrophobicContact CD1-CD1 3.84Å; L2917-L2929 HydrophobicContact CD1-CD2 4.49Å; I2918-L2929 HydrophobicContact CG1-CD2 4.17Å; L2926-L2929 HydrophobicContact CD2-CD2 3.79Å; L2926-L2929 VanDerWaalsContact O-CB 3.24Å; L2926-L2929 WeakPolarHBondContact O-CB 3.38Å; L2926-L2929 PolarHBondContact O-N 3.27Å; N2927-L2929 VanDerWaalsContact C-N 3.34Å; L2929-I2932 WeakPolarHBondContact O-CB 3.47Å; L2929-I2932 PolarHBondContact O-N 2.83Å; L2929-V2933 HydrophobicContact CD1-CG2 3.51Å; L2929-V2933 HydrophobicContact CG-CG2 3.77Å; L2929-V2933 PolarHBondContact O-N 3.28Å |
| 2930 | W | 91.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | -170.9 | -57 | 111 | 0 | 0 | 0 | 114.7 | I2918 L2926 I2932 V2933 V2934 L3000 Q3002 F3003 Y3006 | I2918-W2930 HydrophobicContact CD1-CH2 3.66Å; I2918-W2930 HydrophobicContact CD1-CZ2 4.38Å; I2918-W2930 HydrophobicContact CD1-CZ3 4.3Å; I2918-W2930 HydrophobicContact CG1-CH2 4.19Å; I2918-W2930 HydrophobicContact CG1-CZ2 4.43Å; L2926-W2930 PolarHBondContact O-NE1 2.98Å; W2930-I2932 PolarHBondContact O-N 3.24Å; W2930-I2932 VanDerWaalsContact O-N 3.11Å; W2930-V2933 PolarHBondContact O-N 3.08Å; W2930-V2934 HydrophobicContact CB-CG2 4.17Å; W2930-V2934 HydrophobicContact CE3-CG2 3.97Å; W2930-V2934 VanDerWaalsContact O-CB 3.27Å; W2930-V2934 WeakPolarHBondContact O-CB 3.49Å; W2930-V2934 WeakPolarHBondContact O-CG2 3.37Å; W2930-V2934 PolarHBondContact O-N 3.37Å; W2930-L3000 HydrophobicContact CH2-CD1 4.35Å; W2930-L3000 HydrophobicContact CZ2-CB 4.49Å; W2930-L3000 HydrophobicContact CZ2-CD1 4.3Å; W2930-L3000 HydrophobicContact CZ2-CD2 3.81Å; W2930-L3000 HydrophobicContact CZ2-CG 4.43Å; W2930-Q3002 HydrophobicContact CG-CB 4.47Å; W2930-F3003 AromaticContact CE3-CD2 3.97Å; W2930-F3003 HydrophobicContact CE3-CD2 3.97Å; W2930-F3003 HydrophobicContact CH2-CB 3.88Å; W2930-F3003 AromaticContact CH2-CD2 3.72Å; W2930-F3003 HydrophobicContact CH2-CD2 3.72Å; W2930-F3003 HydrophobicContact CH2-CG 4.01Å; W2930-F3003 HydrophobicContact CZ2-CB 3.75Å; W2930-F3003 HydrophobicContact CZ2-CD2 4.4Å; W2930-F3003 HydrophobicContact CZ2-CG 4.4Å; W2930-F3003 HydrophobicContact CZ3-CB 4.36Å; W2930-F3003 AromaticContact CZ3-CD2 3.48Å; W2930-F3003 HydrophobicContact CZ3-CD2 3.48Å; W2930-F3003 VanDerWaalsContact CZ3-CD2 3.48Å; W2930-F3003 HydrophobicContact CZ3-CE2 4.21Å; W2930-F3003 HydrophobicContact CZ3-CG 4.24Å; W2930-Y3006 HydrophobicContact CB-CD2 4.29Å; W2930-Y3006 HydrophobicContact CB-CE2 3.67Å; W2930-Y3006 HydrophobicContact CG-CE2 4.28Å |
| 2931 | P | 89.8 | Confident | 90.4 | Very high | 78 Ų | 78 | 35.1 Ų | 35.1 | 51% | 0.506 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.2 | -21.1 | 175.1 | -24.5 | 35.5 | 0 | 0 | 0 | 114.2 | N2927 P2935 | N2927-P2931 WeakPolarHBondContact O-CD 3.29Å; P2931-P2935 WeakPolarHBondContact O-CD 3.19Å; P2931-P2935 WeakPolarHBondContact O-CG 3.43Å |
| 2932 | I | 91.2 | Very high | 90.3 | Very high | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.195 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -88.8 | -48.4 | 177.6 | -58 | 169.6 | 0 | 0 | 0 | 110 | L2889 L2892 L2896 L2929 W2930 E2936 | L2889-I2932 HydrophobicContact CB-CD1 4.12Å; L2889-I2932 HydrophobicContact CD2-CD1 4.28Å; L2892-I2932 HydrophobicContact CD2-CG2 4.22Å; L2892-I2932 HydrophobicContact CG-CG2 4.4Å; L2896-I2932 HydrophobicContact CD1-CG2 3.64Å; L2929-I2932 WeakPolarHBondContact O-CB 3.47Å; L2929-I2932 PolarHBondContact O-N 2.83Å; W2930-I2932 PolarHBondContact O-N 3.24Å; W2930-I2932 VanDerWaalsContact O-N 3.11Å; I2932-E2936 WeakPolarHBondContact O-CG 3.37Å |
| 2933 | V | 92.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -83.6 | -36.3 | -168.4 | 176.4 | 0 | 0 | 0 | 0 | 113.1 | L2892 F2911 A2914 L2929 W2930 E2936 L2937 L2988 | L2892-V2933 HydrophobicContact CD2-CG2 4.36Å; F2911-V2933 HydrophobicContact CD1-CG1 4.39Å; A2914-V2933 HydrophobicContact CB-CG1 4.07Å; A2914-V2933 HydrophobicContact CB-CG2 3.84Å; L2929-V2933 HydrophobicContact CD1-CG2 3.51Å; L2929-V2933 HydrophobicContact CG-CG2 3.77Å; L2929-V2933 PolarHBondContact O-N 3.28Å; W2930-V2933 PolarHBondContact O-N 3.08Å; V2933-E2936 PolarHBondContact O-N 3.39Å; V2933-L2937 WeakPolarHBondContact O-CB 3.2Å; V2933-L2937 PolarHBondContact O-N 3.36Å; V2933-L2988 HydrophobicContact CG1-CD2 3.42Å; V2933-L2988 VanDerWaalsContact CG1-CD2 3.42Å |
| 2934 | V | 90.9 | Very high | 90.4 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | -176.1 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | W2930 E2936 L2937 F2938 Y3006 | W2930-V2934 HydrophobicContact CB-CG2 4.17Å; W2930-V2934 HydrophobicContact CE3-CG2 3.97Å; W2930-V2934 VanDerWaalsContact O-CB 3.27Å; W2930-V2934 WeakPolarHBondContact O-CB 3.49Å; W2930-V2934 WeakPolarHBondContact O-CG2 3.37Å; W2930-V2934 PolarHBondContact O-N 3.37Å; V2934-E2936 VanDerWaalsContact C-N 3.3Å; V2934-E2936 PolarHBondContact O-N 2.79Å; V2934-L2937 WeakPolarHBondContact O-CB 3.34Å; V2934-L2937 PolarHBondContact O-N 2.84Å; V2934-F2938 HydrophobicContact CG1-CD2 3.7Å; V2934-F2938 HydrophobicContact CG1-CE2 3.35Å; V2934-F2938 HydrophobicContact CG1-CZ 4.46Å; V2934-F2938 WeakPolarHBondContact O-CD2 3.16Å; V2934-F2938 PolarHBondContact O-N 3.07Å; V2934-Y3006 HydrophobicContact CG1-CD1 3.92Å; V2934-Y3006 HydrophobicContact CG1-CE1 4.33Å; V2934-Y3006 HydrophobicContact CG1-CG 4.32Å; V2934-Y3006 HydrophobicContact CG2-CD1 4.34Å; V2934-Y3006 HydrophobicContact CG2-CD2 4.14Å; V2934-Y3006 HydrophobicContact CG2-CE2 4.46Å; V2934-Y3006 HydrophobicContact CG2-CG 4.07Å |
| 2935 | P | 90.2 | Very high | 90.4 | Very high | 61 Ų | 61 | 32.4 Ų | 32.4 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.2 | -41.5 | 175.1 | -25.9 | 36.2 | 0 | 0 | 0 | 113 | P2931 L2937 F2938 L2939 | P2931-P2935 WeakPolarHBondContact O-CD 3.19Å; P2931-P2935 WeakPolarHBondContact O-CG 3.43Å; P2935-L2937 VanDerWaalsContact C-N 3.34Å; P2935-L2937 PolarHBondContact O-N 3.08Å; P2935-F2938 PolarHBondContact O-N 3.41Å; P2935-L2939 VanDerWaalsContact O-CG 3.31Å; P2935-L2939 WeakPolarHBondContact O-CG 3.46Å; P2935-L2939 PolarHBondContact O-N 2.99Å |
| 2936 | E | 91.9 | Very high | 90.5 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -34.7 | 178.7 | -59.8 | -53.1 | 150.1 | 0 | 0 | 112.6 | L2896 H2907 F2911 I2932 V2933 V2934 L2939 T2940 | L2896-E2936 HydrophobicContact CD1-CG 3.83Å; L2896-E2936 HydrophobicContact CD2-CG 3.93Å; H2907-E2936 IonicContact CD2-OE2 2.98Å; H2907-E2936 IonicContact NE2-OE2 2.78Å; H2907-E2936 PolarHBondContact NE2-OE2 3.46Å; F2911-E2936 HydrophobicContact CE1-CB 4.11Å; F2911-E2936 HydrophobicContact CZ-CB 4.24Å; I2932-E2936 WeakPolarHBondContact O-CG 3.37Å; V2933-E2936 PolarHBondContact O-N 3.39Å; V2934-E2936 VanDerWaalsContact C-N 3.3Å; V2934-E2936 PolarHBondContact O-N 2.79Å; E2936-L2939 PolarHBondContact O-N 3.38Å; E2936-T2940 WeakPolarHBondContact O-CB 3.38Å; E2936-T2940 PolarHBondContact O-N 2.78Å; E2936-T2940 PolarHBondContact O-OG1 2.84Å |
| 2937 | L | 91.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 173.9 | -171.7 | 62.4 | 0 | 0 | 0 | 110.9 | F2911 V2933 V2934 P2935 T2940 F2941 A2985 F3010 | F2911-L2937 HydrophobicContact CE1-CB 4.41Å; F2911-L2937 HydrophobicContact CE1-CD1 4.44Å; V2933-L2937 WeakPolarHBondContact O-CB 3.2Å; V2933-L2937 PolarHBondContact O-N 3.36Å; V2934-L2937 WeakPolarHBondContact O-CB 3.34Å; V2934-L2937 PolarHBondContact O-N 2.84Å; P2935-L2937 VanDerWaalsContact C-N 3.34Å; P2935-L2937 PolarHBondContact O-N 3.08Å; L2937-T2940 PolarHBondContact O-N 3.43Å; L2937-F2941 HydrophobicContact CD1-CD2 4.02Å; L2937-F2941 HydrophobicContact CD1-CE2 3.38Å; L2937-F2941 HydrophobicContact CD1-CZ 3.9Å; L2937-F2941 HydrophobicContact CD2-CE2 4.11Å; L2937-F2941 HydrophobicContact CG-CD2 3.88Å; L2937-F2941 HydrophobicContact CG-CE2 3.49Å; L2937-F2941 VanDerWaalsContact CG-CE2 3.49Å; L2937-F2941 HydrophobicContact CG-CZ 4.46Å; L2937-F2941 WeakPolarHBondContact O-CD2 3.34Å; L2937-F2941 PolarHBondContact O-N 3.45Å; L2937-A2985 HydrophobicContact CD1-CB 3.86Å; L2937-F3010 HydrophobicContact CD2-CE1 3.88Å; L2937-F3010 HydrophobicContact CD2-CE2 4.18Å; L2937-F3010 HydrophobicContact CD2-CZ 3.54Å; L2937-F3010 HydrophobicContact CG-CE1 4.14Å; L2937-F3010 HydrophobicContact CG-CZ 4.13Å |
| 2938 | F | 89.8 | Confident | 90.1 | Very high | 61 Ų | 61 | 33.3 Ų | 33.3 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 173.8 | -79.6 | -68.9 | 0 | 0 | 0 | 112.5 | V2934 P2935 T2940 F2941 K2942 A3009 F3010 F3044 | V2934-F2938 HydrophobicContact CG1-CD2 3.7Å; V2934-F2938 HydrophobicContact CG1-CE2 3.35Å; V2934-F2938 HydrophobicContact CG1-CZ 4.46Å; V2934-F2938 WeakPolarHBondContact O-CD2 3.16Å; V2934-F2938 PolarHBondContact O-N 3.07Å; P2935-F2938 PolarHBondContact O-N 3.41Å; F2938-T2940 VanDerWaalsContact C-N 3.27Å; F2938-T2940 PolarHBondContact O-N 2.97Å; F2938-F2941 PolarHBondContact O-N 2.98Å; F2938-K2942 WeakPolarHBondContact O-CB 3.24Å; F2938-K2942 PolarHBondContact O-N 3.44Å; F2938-A3009 HydrophobicContact CE1-CB 3.75Å; F2938-A3009 HydrophobicContact CZ-CB 3.37Å; F2938-F3010 HydrophobicContact CD1-CE1 4.42Å; F2938-F3010 HydrophobicContact CE1-CE1 4.16Å; F2938-F3010 HydrophobicContact CE1-CZ 4.27Å; F2938-F3010 HydrophobicContact CE2-CZ 4.24Å; F2938-F3010 HydrophobicContact CZ-CE1 4.4Å; F2938-F3010 HydrophobicContact CZ-CZ 4.05Å; F2938-F3044 AromaticContact CD1-CD1 3.96Å; F2938-F3044 HydrophobicContact CD1-CD1 3.96Å; F2938-F3044 HydrophobicContact CD1-CE1 4.36Å; F2938-F3044 HydrophobicContact CD1-CG 4.2Å; F2938-F3044 HydrophobicContact CE1-CB 4.3Å; F2938-F3044 HydrophobicContact CE1-CD1 4.43Å; F2938-F3044 HydrophobicContact CE1-CG 4.36Å |
| 2939 | L | 90.2 | Very high | 89.7 | Confident | 82 Ų | 82 | 35.1 Ų | 35.1 | 43% | 0.429 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59 | -41.6 | 177.8 | -72.5 | 173.5 | 0 | 0 | 0 | 110.9 | I2902 P2935 E2936 K2942 S2943 | I2902-L2939 VanDerWaalsContact CD1-C 3.49Å; I2902-L2939 HydrophobicContact CD1-CB 3.99Å; I2902-L2939 VanDerWaalsContact CD1-O 3.22Å; I2902-L2939 WeakPolarHBondContact CD1-O 3.2Å; I2902-L2939 HydrophobicContact CG1-CB 4.27Å; P2935-L2939 VanDerWaalsContact O-CG 3.31Å; P2935-L2939 WeakPolarHBondContact O-CG 3.46Å; P2935-L2939 PolarHBondContact O-N 2.99Å; E2936-L2939 PolarHBondContact O-N 3.38Å; L2939-K2942 PolarHBondContact O-N 2.88Å; L2939-S2943 WeakPolarHBondContact O-CB 3.46Å; L2939-S2943 PolarHBondContact O-N 2.92Å |
| 2940 | T | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 178.5 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | F2911 E2936 L2937 F2938 S2943 L2944 L2981 Y2982 A2985 | F2911-T2940 HydrophobicContact CE2-CG2 4.08Å; F2911-T2940 WeakPolarHBondContact CE2-OG1 3.26Å; F2911-T2940 VanDerWaalsContact CZ-OG1 3.31Å; F2911-T2940 WeakPolarHBondContact CZ-OG1 3.44Å; E2936-T2940 WeakPolarHBondContact O-CB 3.38Å; E2936-T2940 PolarHBondContact O-N 2.78Å; E2936-T2940 PolarHBondContact O-OG1 2.84Å; L2937-T2940 PolarHBondContact O-N 3.43Å; F2938-T2940 VanDerWaalsContact C-N 3.27Å; F2938-T2940 PolarHBondContact O-N 2.97Å; T2940-S2943 WeakPolarHBondContact O-CB 3.25Å; T2940-S2943 PolarHBondContact O-N 3.34Å; T2940-L2944 PolarHBondContact O-N 3.32Å; T2940-L2981 HydrophobicContact CG2-CD1 4Å; T2940-L2981 HydrophobicContact CG2-CD2 3.98Å; T2940-L2981 HydrophobicContact CG2-CG 3.72Å; T2940-Y2982 HydrophobicContact CG2-CD1 3.93Å; T2940-Y2982 HydrophobicContact CG2-CE1 4.27Å; T2940-A2985 HydrophobicContact CG2-CB 3.78Å |
| 2941 | F | 90.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -33.1 | 176 | -72.3 | -52.2 | 0 | 0 | 0 | 112.8 | L2937 F2938 L2944 S2945 A2985 L2989 F3010 F3044 L3045 V3048 F3098 | L2937-F2941 HydrophobicContact CD1-CD2 4.02Å; L2937-F2941 HydrophobicContact CD1-CE2 3.38Å; L2937-F2941 HydrophobicContact CD1-CZ 3.9Å; L2937-F2941 HydrophobicContact CD2-CE2 4.11Å; L2937-F2941 HydrophobicContact CG-CD2 3.88Å; L2937-F2941 HydrophobicContact CG-CE2 3.49Å; L2937-F2941 VanDerWaalsContact CG-CE2 3.49Å; L2937-F2941 HydrophobicContact CG-CZ 4.46Å; L2937-F2941 WeakPolarHBondContact O-CD2 3.34Å; L2937-F2941 PolarHBondContact O-N 3.45Å; F2938-F2941 PolarHBondContact O-N 2.98Å; F2941-L2944 HydrophobicContact CD1-CD2 4.23Å; F2941-L2944 WeakPolarHBondContact O-CB 3.09Å; F2941-L2944 PolarHBondContact O-N 2.92Å; F2941-S2945 PolarHBondContact O-N 3.29Å; F2941-A2985 HydrophobicContact CZ-CB 4.45Å; F2941-L2989 HydrophobicContact CE2-CD2 4.06Å; F2941-L2989 HydrophobicContact CZ-CB 4.38Å; F2941-L2989 HydrophobicContact CZ-CD2 3.86Å; F2941-F3010 HydrophobicContact CD2-CD1 4.48Å; F2941-F3010 HydrophobicContact CD2-CE1 4.08Å; F2941-F3010 HydrophobicContact CE2-CD1 4.27Å; F2941-F3010 HydrophobicContact CE2-CE1 4.05Å; F2941-F3044 HydrophobicContact CB-CD1 4.15Å; F2941-F3044 HydrophobicContact CB-CE1 3.65Å; F2941-L3045 HydrophobicContact CB-CD2 4.01Å; F2941-L3045 HydrophobicContact CD1-CD2 3.74Å; F2941-L3045 HydrophobicContact CD2-CD2 3.63Å; F2941-L3045 HydrophobicContact CE1-CD2 4.05Å; F2941-L3045 HydrophobicContact CE2-CD2 3.91Å; F2941-L3045 HydrophobicContact CG-CD2 3.53Å; F2941-L3045 HydrophobicContact CZ-CD2 4.13Å; F2941-V3048 HydrophobicContact CB-CG2 4.42Å; F2941-F3098 HydrophobicContact CD1-CE1 4.47Å; F2941-F3098 HydrophobicContact CD1-CZ 4.39Å; F2941-F3098 HydrophobicContact CE1-CE1 4.01Å; F2941-F3098 AromaticContact CE1-CZ 3.98Å; F2941-F3098 HydrophobicContact CE1-CZ 3.98Å |
| 2942 | K | 89.3 | Confident | 88.4 | Confident | 107 Ų | 107 | 37.3 Ų | 37.3 | 47% | 0.465 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 171 | -168.6 | 176.2 | 178.2 | 178.1 | 0 | 111.2 | F2938 L2939 L2944 S2945 Q2946 F3044 | F2938-K2942 WeakPolarHBondContact O-CB 3.24Å; F2938-K2942 PolarHBondContact O-N 3.44Å; L2939-K2942 PolarHBondContact O-N 2.88Å; K2942-L2944 VanDerWaalsContact C-N 3.33Å; K2942-S2945 PolarHBondContact O-N 3.38Å; K2942-Q2946 WeakPolarHBondContact O-CG 3.2Å; K2942-Q2946 PolarHBondContact O-N 3.27Å; K2942-F3044 HydrophobicContact CB-CE1 4.42Å; K2942-F3044 HydrophobicContact CB-CZ 3.77Å; K2942-F3044 HydrophobicContact CG-CZ 4.28Å |
| 2943 | S | 88.9 | Confident | 87.9 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 175 | 171 | 0 | 0 | 0 | 0 | 111.6 | L2939 T2940 Q2946 A2947 Y2982 | L2939-S2943 WeakPolarHBondContact O-CB 3.46Å; L2939-S2943 PolarHBondContact O-N 2.92Å; T2940-S2943 WeakPolarHBondContact O-CB 3.25Å; T2940-S2943 PolarHBondContact O-N 3.34Å; S2943-Q2946 PolarHBondContact O-N 2.83Å; S2943-A2947 WeakPolarHBondContact O-CB 3.36Å; S2943-A2947 PolarHBondContact O-N 3.33Å; S2943-Y2982 PolarHBondContact OG-OH 3.05Å |
| 2944 | L | 89.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -50.5 | 173.7 | 178.8 | 58.6 | 0 | 0 | 0 | 111.6 | T2940 F2941 K2942 Q2946 A2947 I2948 Y2982 V3048 I3091 F3098 | T2940-L2944 PolarHBondContact O-N 3.32Å; F2941-L2944 HydrophobicContact CD1-CD2 4.23Å; F2941-L2944 WeakPolarHBondContact O-CB 3.09Å; F2941-L2944 PolarHBondContact O-N 2.92Å; K2942-L2944 VanDerWaalsContact C-N 3.33Å; L2944-Q2946 PolarHBondContact O-N 3.23Å; L2944-A2947 PolarHBondContact O-N 3.01Å; L2944-I2948 HydrophobicContact CD1-CD1 3.79Å; L2944-I2948 HydrophobicContact CD1-CG1 4.2Å; L2944-I2948 HydrophobicContact CG-CD1 3.94Å; L2944-I2948 WeakPolarHBondContact O-CD1 3.23Å; L2944-I2948 VanDerWaalsContact O-CG1 3.24Å; L2944-I2948 WeakPolarHBondContact O-CG1 3.35Å; L2944-I2948 PolarHBondContact O-N 3.33Å; L2944-Y2982 HydrophobicContact CB-CD1 3.77Å; L2944-Y2982 HydrophobicContact CB-CE1 3.6Å; L2944-Y2982 HydrophobicContact CB-CG 4.41Å; L2944-Y2982 HydrophobicContact CD1-CD1 3.93Å; L2944-Y2982 HydrophobicContact CD1-CD2 3.6Å; L2944-Y2982 HydrophobicContact CD1-CE1 4.08Å; L2944-Y2982 HydrophobicContact CD1-CE2 3.75Å; L2944-Y2982 HydrophobicContact CD1-CG 3.7Å; L2944-Y2982 HydrophobicContact CD2-CD1 4.42Å; L2944-Y2982 HydrophobicContact CD2-CG 4.48Å; L2944-Y2982 HydrophobicContact CG-CD1 4.25Å; L2944-Y2982 HydrophobicContact CG-CE1 4.4Å; L2944-Y2982 HydrophobicContact CG-CG 4.42Å; L2944-V3048 HydrophobicContact CD2-CG1 3.67Å; L2944-V3048 HydrophobicContact CG-CG1 3.99Å; L2944-I3091 HydrophobicContact CD1-CD1 3.76Å; L2944-F3098 HydrophobicContact CD2-CE2 4.31Å; L2944-F3098 HydrophobicContact CD2-CZ 4.09Å |
| 2945 | S | 88.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | F2941 K2942 A2947 I2948 Q2949 D3047 Q3051 | F2941-S2945 PolarHBondContact O-N 3.29Å; K2942-S2945 PolarHBondContact O-N 3.38Å; S2945-A2947 PolarHBondContact O-N 3.37Å; S2945-I2948 PolarHBondContact O-N 3.4Å; S2945-Q2949 WeakPolarHBondContact O-CB 3.47Å; S2945-Q2949 PolarHBondContact O-N 2.94Å; S2945-D3047 PolarHBondContact OG-OD2 3.38Å; S2945-Q3051 WeakPolarHBondContact OG-CG 3.32Å |
| 2946 | Q | 88.4 | Confident | 85.6 | Confident | 106 Ų | 106 | 45.3 Ų | 45.3 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 179.4 | -71.9 | 177.6 | -14.5 | 0 | 0 | 112.8 | K2942 S2943 L2944 Q2949 E2950 | K2942-Q2946 WeakPolarHBondContact O-CG 3.2Å; K2942-Q2946 PolarHBondContact O-N 3.27Å; S2943-Q2946 PolarHBondContact O-N 2.83Å; L2944-Q2946 PolarHBondContact O-N 3.23Å; Q2946-Q2949 PolarHBondContact O-N 3.39Å; Q2946-E2950 WeakPolarHBondContact O-CB 3.44Å; Q2946-E2950 PolarHBondContact O-N 2.98Å |
| 2947 | A | 86.5 | Confident | 84.4 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S2943 L2944 S2945 E2950 C2951 L2974 | S2943-A2947 WeakPolarHBondContact O-CB 3.36Å; S2943-A2947 PolarHBondContact O-N 3.33Å; L2944-A2947 PolarHBondContact O-N 3.01Å; S2945-A2947 PolarHBondContact O-N 3.37Å; A2947-E2950 PolarHBondContact O-N 3.19Å; A2947-C2951 PolarHBondContact O-N 3.08Å; A2947-C2951 PolarHBondContact O-SG 3.32Å; A2947-L2974 HydrophobicContact CB-CD2 3.84Å |
| 2948 | I | 84.8 | Confident | 82.9 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 173.8 | -63.2 | 164.6 | 0 | 0 | 0 | 110.2 | L2944 S2945 E2950 C2951 V2952 Q3051 I3052 L3055 I3091 | L2944-I2948 HydrophobicContact CD1-CD1 3.79Å; L2944-I2948 HydrophobicContact CD1-CG1 4.2Å; L2944-I2948 HydrophobicContact CG-CD1 3.94Å; L2944-I2948 WeakPolarHBondContact O-CD1 3.23Å; L2944-I2948 VanDerWaalsContact O-CG1 3.24Å; L2944-I2948 WeakPolarHBondContact O-CG1 3.35Å; L2944-I2948 PolarHBondContact O-N 3.33Å; S2945-I2948 PolarHBondContact O-N 3.4Å; I2948-E2950 VanDerWaalsContact C-N 3.32Å; I2948-E2950 PolarHBondContact O-N 3.17Å; I2948-C2951 WeakPolarHBondContact O-CA 3.03Å; I2948-C2951 WeakPolarHBondContact O-CB 3.3Å; I2948-C2951 PolarHBondContact O-N 2.65Å; I2948-C2951 VanDerWaalsContact O-N 3.1Å; I2948-V2952 HydrophobicContact CG2-CG2 4.42Å; I2948-V2952 WeakPolarHBondContact O-CG2 3.49Å; I2948-V2952 PolarHBondContact O-N 3.38Å; I2948-Q3051 HydrophobicContact CB-CB 4.11Å; I2948-Q3051 HydrophobicContact CG2-CB 3.73Å; I2948-Q3051 VanDerWaalsContact CG2-O 3.32Å; I2948-Q3051 WeakPolarHBondContact CG2-O 3.33Å; I2948-I3052 HydrophobicContact CD1-CD1 4.4Å; I2948-I3052 HydrophobicContact CD1-CG1 3.62Å; I2948-L3055 HydrophobicContact CG2-CB 3.95Å; I2948-L3055 HydrophobicContact CG2-CD1 4.17Å; I2948-L3055 HydrophobicContact CG2-CG 4.45Å; I2948-I3091 HydrophobicContact CD1-CD1 3.88Å; I2948-I3091 HydrophobicContact CD1-CG1 4.5Å; I2948-I3091 HydrophobicContact CG1-CD1 3.7Å |
| 2949 | Q | 83.9 | Confident | 81.2 | Confident | 102 Ų | 102 | 56.6 Ų | 56.6 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 178 | -174.3 | 177.7 | 3.7 | 0 | 0 | 112.1 | S2945 Q2946 C2951 V2952 S2953 | S2945-Q2949 WeakPolarHBondContact O-CB 3.47Å; S2945-Q2949 PolarHBondContact O-N 2.94Å; Q2946-Q2949 PolarHBondContact O-N 3.39Å; Q2949-C2951 VanDerWaalsContact C-N 3.34Å; Q2949-V2952 PolarHBondContact O-N 3.42Å; Q2949-S2953 WeakPolarHBondContact O-CB 3.41Å; Q2949-S2953 PolarHBondContact O-N 2.55Å; Q2949-S2953 PolarHBondContact O-OG 3.38Å |
| 2950 | E | 84.9 | Confident | 79.5 | Confident | 102 Ų | 102 | 58.5 Ų | 58.5 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.5 | -164.6 | -175.9 | 161.4 | 0 | 0 | 110.9 | Q2946 A2947 I2948 S2953 K2954 | Q2946-E2950 WeakPolarHBondContact O-CB 3.44Å; Q2946-E2950 PolarHBondContact O-N 2.98Å; A2947-E2950 PolarHBondContact O-N 3.19Å; I2948-E2950 VanDerWaalsContact C-N 3.32Å; I2948-E2950 PolarHBondContact O-N 3.17Å; E2950-S2953 PolarHBondContact O-N 3.2Å; E2950-S2953 PolarHBondContact O-OG 3.36Å; E2950-K2954 HydrophobicContact CG-CD 4.42Å; E2950-K2954 WeakPolarHBondContact O-CB 3.46Å; E2950-K2954 WeakPolarHBondContact O-CG 3.31Å; E2950-K2954 PolarHBondContact O-N 3.35Å; E2950-K2954 WeakPolarHBondContact OE1-CE 3.5Å; E2950-K2954 IonicContact OE1-NZ 2.79Å; E2950-K2954 PolarHBondContact OE1-NZ 3.15Å |
| 2951 | C | 80.5 | Confident | 77.3 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 173.5 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | A2947 I2948 Q2949 S2953 K2954 I2955 L3055 | A2947-C2951 PolarHBondContact O-N 3.08Å; A2947-C2951 PolarHBondContact O-SG 3.32Å; I2948-C2951 WeakPolarHBondContact O-CA 3.03Å; I2948-C2951 WeakPolarHBondContact O-CB 3.3Å; I2948-C2951 PolarHBondContact O-N 2.65Å; I2948-C2951 VanDerWaalsContact O-N 3.1Å; Q2949-C2951 VanDerWaalsContact C-N 3.34Å; C2951-S2953 PolarHBondContact O-N 2.9Å; C2951-K2954 PolarHBondContact O-N 3.33Å; C2951-I2955 VanDerWaalsContact O-CG1 3.27Å; C2951-I2955 WeakPolarHBondContact O-CG1 3.09Å; C2951-I2955 PolarHBondContact O-N 3.36Å; C2951-L3055 HydrophobicContact CB-CD1 3.97Å |
| 2952 | V | 80.7 | Confident | 75.2 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.3 | -48 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | I2948 Q2949 K2954 I2955 Q2956 L3055 V3058 | I2948-V2952 HydrophobicContact CG2-CG2 4.42Å; I2948-V2952 WeakPolarHBondContact O-CG2 3.49Å; I2948-V2952 PolarHBondContact O-N 3.38Å; Q2949-V2952 PolarHBondContact O-N 3.42Å; V2952-K2954 PolarHBondContact O-N 3.03Å; V2952-I2955 PolarHBondContact O-N 3.43Å; V2952-Q2956 WeakPolarHBondContact O-CG 3.38Å; V2952-Q2956 PolarHBondContact O-N 2.82Å; V2952-L3055 HydrophobicContact CG2-CB 3.91Å; V2952-L3055 HydrophobicContact CG2-CD1 3.75Å; V2952-L3055 HydrophobicContact CG2-CG 4.43Å; V2952-V3058 HydrophobicContact CG1-CG2 4.26Å |
| 2953 | S | 80.2 | Confident | 72.7 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | -179.8 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | Q2949 E2950 C2951 Q2956 S2957 | Q2949-S2953 WeakPolarHBondContact O-CB 3.41Å; Q2949-S2953 PolarHBondContact O-N 2.55Å; Q2949-S2953 PolarHBondContact O-OG 3.38Å; E2950-S2953 PolarHBondContact O-N 3.2Å; E2950-S2953 PolarHBondContact O-OG 3.36Å; C2951-S2953 PolarHBondContact O-N 2.9Å; S2953-Q2956 PolarHBondContact O-N 3.06Å; S2953-S2957 WeakPolarHBondContact O-CB 3.34Å; S2953-S2957 PolarHBondContact O-N 3.12Å |
| 2954 | K | 77.4 | Confident | 70.5 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 39% | 0.387 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.4 | -76.5 | 175 | -177.2 | 167.3 | 0 | 111.5 | E2950 C2951 V2952 S2957 R2958 | E2950-K2954 HydrophobicContact CG-CD 4.42Å; E2950-K2954 WeakPolarHBondContact O-CB 3.46Å; E2950-K2954 WeakPolarHBondContact O-CG 3.31Å; E2950-K2954 PolarHBondContact O-N 3.35Å; E2950-K2954 WeakPolarHBondContact OE1-CE 3.5Å; E2950-K2954 IonicContact OE1-NZ 2.79Å; E2950-K2954 PolarHBondContact OE1-NZ 3.15Å; C2951-K2954 PolarHBondContact O-N 3.33Å; V2952-K2954 PolarHBondContact O-N 3.03Å; K2954-S2957 PolarHBondContact O-N 3.33Å; K2954-S2957 PolarHBondContact O-OG 3.31Å; K2954-R2958 PolarHBondContact O-N 3.11Å |
| 2955 | I | 74.5 | Confident | 68.1 | Low | 20 Ų | 20 | 85.8 Ų | 85.8 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 177.1 | -65.2 | 163.5 | 0 | 0 | 0 | 110.7 | C2951 V2952 S2957 R2958 L3055 V3058 N3062 | C2951-I2955 VanDerWaalsContact O-CG1 3.27Å; C2951-I2955 WeakPolarHBondContact O-CG1 3.09Å; C2951-I2955 PolarHBondContact O-N 3.36Å; V2952-I2955 PolarHBondContact O-N 3.43Å; I2955-S2957 PolarHBondContact O-N 3.15Å; I2955-R2958 PolarHBondContact O-N 2.91Å; I2955-L3055 HydrophobicContact CD1-CD1 4.42Å; I2955-V3058 HydrophobicContact CB-CG1 4.03Å; I2955-V3058 HydrophobicContact CD1-CG1 4.45Å; I2955-V3058 HydrophobicContact CG2-CG1 3.36Å; I2955-N3062 WeakPolarHBondContact CG2-ND2 3.48Å |
| 2956 | Q | 74.5 | Confident | 65.6 | Low | 108 Ų | 108 | 91 Ų | 91 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 176.5 | -71.3 | 175.1 | -7.4 | 0 | 0 | 112.3 | V2952 S2953 R2958 K2959 | V2952-Q2956 WeakPolarHBondContact O-CG 3.38Å; V2952-Q2956 PolarHBondContact O-N 2.82Å; S2953-Q2956 PolarHBondContact O-N 3.06Å; Q2956-R2958 VanDerWaalsContact C-N 3.27Å; Q2956-R2958 PolarHBondContact O-N 3.47Å; Q2956-K2959 PolarHBondContact O-N 2.88Å |
| 2957 | S | 67.1 | Low | 63.1 | Low | 75 Ų | 75 | 92.4 Ų | 92.4 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -29.9 | 179.1 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | S2953 K2954 I2955 K2959 V2960 | S2953-S2957 WeakPolarHBondContact O-CB 3.34Å; S2953-S2957 PolarHBondContact O-N 3.12Å; K2954-S2957 PolarHBondContact O-N 3.33Å; K2954-S2957 PolarHBondContact O-OG 3.31Å; I2955-S2957 PolarHBondContact O-N 3.15Å; S2957-K2959 VanDerWaalsContact C-N 3.29Å; S2957-K2959 PolarHBondContact O-N 3.27Å; S2957-V2960 PolarHBondContact O-N 2.95Å |
| 2958 | R | 59.3 | Low | 60.9 | Low | 139 Ų | 139 | 95 Ų | 95 | 53% | 0.525 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -26.8 | 176.4 | -76.4 | -179.9 | 177.2 | 179.3 | -3.6 | 113.1 | K2954 I2955 Q2956 V2960 | K2954-R2958 PolarHBondContact O-N 3.11Å; I2955-R2958 PolarHBondContact O-N 2.91Å; Q2956-R2958 VanDerWaalsContact C-N 3.27Å; Q2956-R2958 PolarHBondContact O-N 3.47Å; R2958-V2960 PolarHBondContact O-N 3.46Å |
| 2959 | K | 54.4 | Low | 58.7 | Low | 126 Ų | 126 | 99.9 Ų | 99.9 | 55% | 0.548 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.6 | -14.6 | 176.1 | -77 | -174.6 | 176.4 | 173.9 | 0 | 113.6 | Q2956 S2957 S3061 N3062 | Q2956-K2959 PolarHBondContact O-N 2.88Å; S2957-K2959 VanDerWaalsContact C-N 3.29Å; S2957-K2959 PolarHBondContact O-N 3.27Å; K2959-S3061 PolarHBondContact NZ-OG 2.81Å; K2959-N3062 WeakPolarHBondContact CE-OD1 3.47Å; K2959-N3062 PolarHBondContact NZ-OD1 3.46Å |
| 2960 | V | 53.8 | Low | 56.7 | Low | 121 Ų | 121 | 99.9 Ų | 99.9 | 73% | 0.733 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -6.9 | -172.5 | -175.6 | 0 | 0 | 0 | 0 | 113.9 | S2957 R2958 | S2957-V2960 PolarHBondContact O-N 2.95Å; R2958-V2960 PolarHBondContact O-N 3.46Å |
| 2961 | K | 44.8 | Very low | 54.7 | Low | 181 Ų | 181 | 99.4 Ų | 99.4 | 79% | 0.787 | 57% | 0.574 | S | S | * | * | trans | -138.8 | 96.9 | 174.8 | -84.5 | -177.8 | 175.1 | 175.8 | 0 | 112.1 | D2963 | K2961-D2963 PolarHBondContact O-N 3.08Š| ||
| 2962 | P | 46.4 | Very low | 53.4 | Low | 116 Ų | 116 | 102.6 Ų | 102.6 | 75% | 0.753 | 60% | 0.597 | S | S | * | * | trans | -90.7 | 72.1 | 177.2 | 36.2 | -28.8 | 0 | 0 | 0 | 109 | ||||
| 2963 | D | 38.1 | Very low | 52.6 | Low | 152 Ų | 152 | 106.9 Ų | 106.9 | 81% | 0.813 | 62% | 0.615 | S | S | * | * | trans | -164.9 | 93.2 | 168.3 | -85.4 | -34.9 | 0 | 0 | 0 | 108.6 | K2961 | K2961-D2963 PolarHBondContact O-N 3.08Š| ||
| 2964 | T | 42.5 | Very low | 52.5 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 76% | 0.761 | 60% | 0.599 | S | S | * | * | trans | 165 | 110 | 143.2 | -60.2 | 0 | 0 | 0 | 0 | 107.7 | T2966 | T2964-T2966 PolarHBondContact O-N 3.38Š| ||
| 2965 | T | 38.2 | Very low | 52.7 | Low | 138 Ų | 138 | 103 Ų | 103 | 85% | 0.847 | 60% | 0.597 | S | S | * | * | trans | -49.7 | 102 | 173.4 | 49.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 2966 | T | 37.7 | Very low | 53.2 | Low | 113 Ų | 113 | 107 Ų | 107 | 69% | 0.693 | 62% | 0.623 | S | S | * | * | trans | -141.8 | 91.1 | 159 | 24.5 | 0 | 0 | 0 | 0 | 108.5 | T2964 S2968 | T2964-T2966 PolarHBondContact O-N 3.38Å; T2966-S2968 VanDerWaalsContact C-N 3.27Å; T2966-S2968 PolarHBondContact O-N 3.36Å; T2966-S2968 PolarHBondContact O-OG 3.22Å | ||
| 2967 | S | 35.1 | Very low | 53.8 | Low | 134 Ų | 134 | 104 Ų | 104 | 94% | 0.937 | 61% | 0.614 | S | S | * | * | trans | -54.2 | 90.6 | 165.6 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2968 | S | 39.7 | Very low | 54.8 | Low | 68 Ų | 68 | 103.2 Ų | 103.2 | 48% | 0.476 | 60% | 0.602 | S | S | . | * | trans | -114.2 | 93.6 | 168.5 | 32.1 | 0 | 0 | 0 | 0 | 106.5 | T2966 | T2966-S2968 VanDerWaalsContact C-N 3.27Å; T2966-S2968 PolarHBondContact O-N 3.36Å; T2966-S2968 PolarHBondContact O-OG 3.22Å | ||
| 2969 | S | 39.9 | Very low | 56.2 | Low | 106 Ų | 106 | 97.3 Ų | 97.3 | 74% | 0.741 | 58% | 0.58 | S | S | * | * | trans | -39.6 | 133.4 | 174.1 | 35.9 | 0 | 0 | 0 | 0 | 112.5 | S2971 | S2969-S2971 PolarHBondContact O-N 3.06Š| ||
| 2970 | S | 40.9 | Very low | 58 | Low | 102 Ų | 102 | 93.9 Ų | 93.9 | 71% | 0.713 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -68.5 | 26 | -170.9 | 37.7 | 0 | 0 | 0 | 0 | 116.6 | ||
| 2971 | S | 43.1 | Very low | 59.8 | Low | 92 Ų | 92 | 88.2 Ų | 88.2 | 64% | 0.643 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -105.8 | 110.8 | -175 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | S2969 | S2969-S2971 PolarHBondContact O-N 3.06Š|
| 2972 | S | 54.2 | Low | 62.1 | Low | 82 Ų | 82 | 79.6 Ų | 79.6 | 57% | 0.573 | 50% | 0.496 | S | S | * | . | trans | 58.7 | 85.6 | 169.6 | 74.3 | 0 | 0 | 0 | 0 | 117.8 | L2974 | S2972-L2974 PolarHBondContact O-N 3.02Š| ||
| 2973 | F | 63.3 | Low | 64.3 | Low | 100 Ų | 100 | 74.4 Ų | 74.4 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -61.7 | -22.6 | 165.8 | -79.8 | -86.1 | 0 | 0 | 0 | 113.9 | ||
| 2974 | L | 77.3 | Confident | 66.8 | Low | 16 Ų | 16 | 67.2 Ų | 67.2 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -90.4 | 138.5 | 177.5 | -58.2 | 173.5 | 0 | 0 | 0 | 110 | A2947 S2972 Q2978 M2979 Y2982 I3091 | A2947-L2974 HydrophobicContact CB-CD2 3.84Å; S2972-L2974 PolarHBondContact O-N 3.02Å; L2974-Q2978 HydrophobicContact CB-CB 4.5Å; L2974-M2979 HydrophobicContact CB-CE 3.82Å; L2974-M2979 HydrophobicContact CB-CG 4.21Å; L2974-M2979 HydrophobicContact CB-SD 3.94Å; L2974-M2979 HydrophobicContact CD1-CE 3.78Å; L2974-M2979 HydrophobicContact CD1-SD 3.68Å; L2974-M2979 HydrophobicContact CG-CE 4.26Å; L2974-M2979 HydrophobicContact CG-SD 4.45Å; L2974-Y2982 HydrophobicContact CD1-CE2 4.17Å; L2974-I3091 HydrophobicContact CD1-CD1 3.51Å |
| 2975 | S | 82.4 | Confident | 69.3 | Low | 50 Ų | 50 | 61.3 Ų | 61.3 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | trans | -66.1 | 152.6 | 175.6 | 70.6 | 0 | 0 | 0 | 0 | 110.8 | S2977 Q2978 M2979 | S2975-S2977 PolarHBondContact O-N 3.48Å; S2975-S2977 VanDerWaalsContact O-N 3.15Å; S2975-S2977 PolarHBondContact OG-OG 3.04Å; S2975-Q2978 WeakPolarHBondContact O-CB 3.33Å; S2975-Q2978 PolarHBondContact O-N 3.4Å; S2975-Q2978 VanDerWaalsContact OG-CG 3.3Å; S2975-Q2978 WeakPolarHBondContact OG-CG 3.35Å; S2975-Q2978 PolarHBondContact OG-N 3.49Å; S2975-Q2978 VanDerWaalsContact OG-N 3.15Å; S2975-M2979 PolarHBondContact O-N 2.84Å | ||
| 2976 | T | 85.5 | Confident | 71.8 | Confident | 104 Ų | 104 | 54.8 Ų | 54.8 | 64% | 0.638 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -54.7 | -34.8 | 173.8 | -47.6 | 0 | 0 | 0 | 0 | 112 | M2979 N2980 | T2976-M2979 PolarHBondContact O-N 3.02Å; T2976-N2980 WeakPolarHBondContact O-CB 3.09Å; T2976-N2980 PolarHBondContact O-N 3.27Å; T2976-N2980 PolarHBondContact O-ND2 3.44Å |
| 2977 | S | 85.8 | Confident | 74.5 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 113 | P2904 S2975 L2981 | P2904-S2977 WeakPolarHBondContact CB-O 3.48Å; S2975-S2977 PolarHBondContact O-N 3.48Å; S2975-S2977 VanDerWaalsContact O-N 3.15Å; S2975-S2977 PolarHBondContact OG-OG 3.04Å; S2977-L2981 PolarHBondContact O-N 3.49Å |
| 2978 | Q | 88.9 | Confident | 77.3 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 173 | -74.1 | 170 | -26.6 | 0 | 0 | 111.4 | P2904 L2974 S2975 N2980 L2981 Y2982 | P2904-Q2978 HydrophobicContact CG-CG 4.09Å; L2974-Q2978 HydrophobicContact CB-CB 4.5Å; S2975-Q2978 WeakPolarHBondContact O-CB 3.33Å; S2975-Q2978 PolarHBondContact O-N 3.4Å; S2975-Q2978 VanDerWaalsContact OG-CG 3.3Å; S2975-Q2978 WeakPolarHBondContact OG-CG 3.35Å; S2975-Q2978 PolarHBondContact OG-N 3.49Å; S2975-Q2978 VanDerWaalsContact OG-N 3.15Å; Q2978-N2980 VanDerWaalsContact C-N 3.31Å; Q2978-N2980 PolarHBondContact O-N 3.3Å; Q2978-L2981 WeakPolarHBondContact O-CB 3.33Å; Q2978-L2981 PolarHBondContact O-N 3.47Å; Q2978-L2981 VanDerWaalsContact O-N 3.15Å; Q2978-Y2982 HydrophobicContact CB-CE2 3.93Å; Q2978-Y2982 WeakPolarHBondContact O-CD2 3.39Å; Q2978-Y2982 VanDerWaalsContact O-CG 3.28Å; Q2978-Y2982 PolarHBondContact O-N 3.46Å |
| 2979 | M | 88.3 | Confident | 79.7 | Confident | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.069 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 176 | -67.3 | -58.4 | -153.2 | 0 | 0 | 111.7 | L2974 S2975 T2976 L2981 Y2982 I2983 L3088 I3091 | L2974-M2979 HydrophobicContact CB-CE 3.82Å; L2974-M2979 HydrophobicContact CB-CG 4.21Å; L2974-M2979 HydrophobicContact CB-SD 3.94Å; L2974-M2979 HydrophobicContact CD1-CE 3.78Å; L2974-M2979 HydrophobicContact CD1-SD 3.68Å; L2974-M2979 HydrophobicContact CG-CE 4.26Å; L2974-M2979 HydrophobicContact CG-SD 4.45Å; S2975-M2979 PolarHBondContact O-N 2.84Å; T2976-M2979 PolarHBondContact O-N 3.02Å; M2979-L2981 VanDerWaalsContact C-N 3.34Å; M2979-L2981 PolarHBondContact O-N 2.74Å; M2979-Y2982 PolarHBondContact O-N 3.07Å; M2979-I2983 WeakPolarHBondContact O-CG2 3.49Å; M2979-I2983 PolarHBondContact O-N 3.32Å; M2979-L3088 HydrophobicContact CB-CB 4.22Å; M2979-L3088 HydrophobicContact CB-CD2 4.27Å; M2979-L3088 WeakPolarHBondContact CB-O 3.44Å; M2979-L3088 HydrophobicContact SD-CD2 3.8Å; M2979-L3088 HydrophobicContact SD-CG 4.31Å; M2979-I3091 HydrophobicContact CE-CB 4.47Å |
| 2980 | N | 91.4 | Very high | 82.1 | Confident | 55 Ų | 55 | 35 Ų | 35 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.3 | -71.9 | -14.6 | 0 | 0 | 0 | 112.7 | T2908 T2976 Q2978 I2983 S2984 | T2908-N2980 HydrophobicContact CG2-CB 4.36Å; T2976-N2980 WeakPolarHBondContact O-CB 3.09Å; T2976-N2980 PolarHBondContact O-N 3.27Å; T2976-N2980 PolarHBondContact O-ND2 3.44Å; Q2978-N2980 VanDerWaalsContact C-N 3.31Å; Q2978-N2980 PolarHBondContact O-N 3.3Å; N2980-I2983 VanDerWaalsContact O-CG2 3.24Å; N2980-I2983 WeakPolarHBondContact O-CG2 3.48Å; N2980-S2984 VanDerWaalsContact O-CB 3.27Å; N2980-S2984 WeakPolarHBondContact O-CB 3.41Å; N2980-S2984 PolarHBondContact O-N 2.94Å |
| 2981 | L | 93.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -51.1 | 173.7 | 170 | 68 | 0 | 0 | 0 | 111.2 | I2902 P2904 H2907 T2908 F2911 T2940 S2977 Q2978 M2979 S2984 A2985 | I2902-L2981 HydrophobicContact CG2-CD2 3.61Å; P2904-L2981 HydrophobicContact CB-CB 4.08Å; P2904-L2981 HydrophobicContact CB-CD2 4.17Å; P2904-L2981 HydrophobicContact CG-CD2 4.34Å; H2907-L2981 HydrophobicContact CB-CD1 3.33Å; T2908-L2981 VanDerWaalsContact OG1-CA 3.29Å; T2908-L2981 WeakPolarHBondContact OG1-CA 3.43Å; T2908-L2981 PolarHBondContact OG1-N 2.81Å; F2911-L2981 HydrophobicContact CD2-CD1 4.14Å; F2911-L2981 HydrophobicContact CE2-CD1 3.73Å; T2940-L2981 HydrophobicContact CG2-CD1 4Å; T2940-L2981 HydrophobicContact CG2-CD2 3.98Å; T2940-L2981 HydrophobicContact CG2-CG 3.72Å; S2977-L2981 PolarHBondContact O-N 3.49Å; Q2978-L2981 WeakPolarHBondContact O-CB 3.33Å; Q2978-L2981 PolarHBondContact O-N 3.47Å; Q2978-L2981 VanDerWaalsContact O-N 3.15Å; M2979-L2981 VanDerWaalsContact C-N 3.34Å; M2979-L2981 PolarHBondContact O-N 2.74Å; L2981-S2984 PolarHBondContact O-N 2.84Å; L2981-A2985 PolarHBondContact O-N 2.69Å |
| 2982 | Y | 92.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | -175.3 | -59.1 | -44.2 | 0 | 0 | 0 | 112.3 | T2940 S2943 L2944 L2974 Q2978 M2979 A2985 C2986 | T2940-Y2982 HydrophobicContact CG2-CD1 3.93Å; T2940-Y2982 HydrophobicContact CG2-CE1 4.27Å; S2943-Y2982 PolarHBondContact OG-OH 3.05Å; L2944-Y2982 HydrophobicContact CB-CD1 3.77Å; L2944-Y2982 HydrophobicContact CB-CE1 3.6Å; L2944-Y2982 HydrophobicContact CB-CG 4.41Å; L2944-Y2982 HydrophobicContact CD1-CD1 3.93Å; L2944-Y2982 HydrophobicContact CD1-CD2 3.6Å; L2944-Y2982 HydrophobicContact CD1-CE1 4.08Å; L2944-Y2982 HydrophobicContact CD1-CE2 3.75Å; L2944-Y2982 HydrophobicContact CD1-CG 3.7Å; L2944-Y2982 HydrophobicContact CD2-CD1 4.42Å; L2944-Y2982 HydrophobicContact CD2-CG 4.48Å; L2944-Y2982 HydrophobicContact CG-CD1 4.25Å; L2944-Y2982 HydrophobicContact CG-CE1 4.4Å; L2944-Y2982 HydrophobicContact CG-CG 4.42Å; L2974-Y2982 HydrophobicContact CD1-CE2 4.17Å; Q2978-Y2982 HydrophobicContact CB-CE2 3.93Å; Q2978-Y2982 WeakPolarHBondContact O-CD2 3.39Å; Q2978-Y2982 VanDerWaalsContact O-CG 3.28Å; Q2978-Y2982 PolarHBondContact O-N 3.46Å; M2979-Y2982 PolarHBondContact O-N 3.07Å; Y2982-A2985 PolarHBondContact O-N 2.83Å; Y2982-C2986 PolarHBondContact O-N 3.46Å; Y2982-C2986 PolarHBondContact O-SG 2.68Å |
| 2983 | I | 92 | Very high | 88.1 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.8 | -39.3 | 174.2 | -171.4 | 62.4 | 0 | 0 | 0 | 111.8 | M2979 N2980 A2985 C2986 K2987 I3082 L3085 L3088 L3094 | M2979-I2983 WeakPolarHBondContact O-CG2 3.49Å; M2979-I2983 PolarHBondContact O-N 3.32Å; N2980-I2983 VanDerWaalsContact O-CG2 3.24Å; N2980-I2983 WeakPolarHBondContact O-CG2 3.48Å; I2983-A2985 VanDerWaalsContact C-N 3.34Å; I2983-A2985 PolarHBondContact O-N 2.87Å; I2983-C2986 PolarHBondContact O-N 3.1Å; I2983-K2987 HydrophobicContact CD1-CG 4.32Å; I2983-K2987 HydrophobicContact CG1-CD 4.14Å; I2983-K2987 HydrophobicContact CG1-CG 4.23Å; I2983-K2987 WeakPolarHBondContact O-CB 3.35Å; I2983-K2987 VanDerWaalsContact O-CG 3.27Å; I2983-K2987 WeakPolarHBondContact O-CG 3.15Å; I2983-K2987 PolarHBondContact O-N 2.91Å; I2983-I3082 HydrophobicContact CD1-CG2 4.03Å; I2983-L3085 HydrophobicContact CD1-CB 4.23Å; I2983-L3085 HydrophobicContact CD1-CD1 4.17Å; I2983-L3088 HydrophobicContact CB-CB 4.01Å; I2983-L3088 HydrophobicContact CG2-CB 4.29Å; I2983-L3094 HydrophobicContact CD1-CD2 3.94Å |
| 2984 | S | 91.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | T2908 F2911 N2980 L2981 K2987 L2988 | T2908-S2984 PolarHBondContact O-OG 2.82Å; F2911-S2984 WeakPolarHBondContact CB-OG 3.11Å; N2980-S2984 VanDerWaalsContact O-CB 3.27Å; N2980-S2984 WeakPolarHBondContact O-CB 3.41Å; N2980-S2984 PolarHBondContact O-N 2.94Å; L2981-S2984 PolarHBondContact O-N 2.84Å; S2984-K2987 PolarHBondContact O-N 3.17Å; S2984-L2988 PolarHBondContact O-N 3.36Å |
| 2985 | A | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F2911 L2937 T2940 F2941 L2981 Y2982 I2983 L2988 L2989 | F2911-A2985 HydrophobicContact CD2-CB 3.92Å; F2911-A2985 HydrophobicContact CE2-CB 3.79Å; F2911-A2985 HydrophobicContact CZ-CB 4.43Å; L2937-A2985 HydrophobicContact CD1-CB 3.86Å; T2940-A2985 HydrophobicContact CG2-CB 3.78Å; F2941-A2985 HydrophobicContact CZ-CB 4.45Å; L2981-A2985 PolarHBondContact O-N 2.69Å; Y2982-A2985 PolarHBondContact O-N 2.83Å; I2983-A2985 VanDerWaalsContact C-N 3.34Å; I2983-A2985 PolarHBondContact O-N 2.87Å; A2985-L2988 PolarHBondContact O-N 3.43Å; A2985-L2989 PolarHBondContact O-N 3.47Å |
| 2986 | C | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.5 | -65.4 | 0 | 0 | 0 | 0 | 112 | Y2982 I2983 L2988 L2989 A2990 I3082 L3094 F3097 | Y2982-C2986 PolarHBondContact O-N 3.46Å; Y2982-C2986 PolarHBondContact O-SG 2.68Å; I2983-C2986 PolarHBondContact O-N 3.1Å; C2986-L2988 VanDerWaalsContact C-N 3.34Å; C2986-L2989 PolarHBondContact O-N 3.38Å; C2986-A2990 VanDerWaalsContact O-CB 3.31Å; C2986-A2990 WeakPolarHBondContact O-CB 3.12Å; C2986-A2990 PolarHBondContact O-N 3.32Å; C2986-I3082 HydrophobicContact CB-CG2 4.04Å; C2986-L3094 HydrophobicContact CB-CD2 4.35Å; C2986-F3097 HydrophobicContact CB-CD1 4.42Å; C2986-F3097 HydrophobicContact CB-CE1 4.05Å |
| 2987 | K | 93.7 | Very high | 89 | Confident | 5 Ų | 5 | 19.4 Ų | 19.4 | 2% | 0.022 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 176.5 | -75.8 | 178.7 | 174.2 | 176.2 | 0 | 112 | I2983 S2984 T2991 I3082 L3083 L3085 E3136 | I2983-K2987 HydrophobicContact CD1-CG 4.32Å; I2983-K2987 HydrophobicContact CG1-CD 4.14Å; I2983-K2987 HydrophobicContact CG1-CG 4.23Å; I2983-K2987 WeakPolarHBondContact O-CB 3.35Å; I2983-K2987 VanDerWaalsContact O-CG 3.27Å; I2983-K2987 WeakPolarHBondContact O-CG 3.15Å; I2983-K2987 PolarHBondContact O-N 2.91Å; S2984-K2987 PolarHBondContact O-N 3.17Å; K2987-T2991 WeakPolarHBondContact O-CB 3.23Å; K2987-T2991 PolarHBondContact O-N 3.45Å; K2987-T2991 PolarHBondContact O-OG1 3.48Å; K2987-I3082 WeakPolarHBondContact CE-O 3.25Å; K2987-I3082 HydrophobicContact CG-CG2 3.84Å; K2987-L3083 HydrophobicContact CB-CD2 4.35Å; K2987-L3083 HydrophobicContact CG-CD2 4.45Å; K2987-L3085 WeakPolarHBondContact CE-O 3.33Å; K2987-L3085 PolarHBondContact NZ-O 3.41Å; K2987-E3136 WeakPolarHBondContact CD-OE1 3.04Å; K2987-E3136 WeakPolarHBondContact CE-OE1 3.35Å; K2987-E3136 IonicContact NZ-OE1 2.93Å; K2987-E3136 PolarHBondContact NZ-OE1 2.82Å; K2987-E3136 IonicContact NZ-OE2 2.89Å |
| 2988 | L | 93.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.9 | -50 | 172.5 | 172.5 | 66.7 | 0 | 0 | 0 | 110.5 | F2911 A2914 R2915 I2918 V2933 S2984 A2985 C2986 A2990 T2991 S2992 | F2911-L2988 HydrophobicContact CB-CB 4.31Å; F2911-L2988 HydrophobicContact CB-CD2 4.19Å; F2911-L2988 HydrophobicContact CD1-CD2 3.48Å; F2911-L2988 VanDerWaalsContact CD1-CD2 3.48Å; F2911-L2988 HydrophobicContact CE1-CD2 4.23Å; F2911-L2988 HydrophobicContact CG-CD2 4.14Å; A2914-L2988 HydrophobicContact CB-CD1 3.93Å; A2914-L2988 HydrophobicContact CB-CD2 4.28Å; R2915-L2988 HydrophobicContact CG-CB 3.86Å; R2915-L2988 HydrophobicContact CG-CD1 3.59Å; R2915-L2988 HydrophobicContact CG-CG 4.33Å; I2918-L2988 HydrophobicContact CD1-CD1 3.65Å; V2933-L2988 HydrophobicContact CG1-CD2 3.42Å; V2933-L2988 VanDerWaalsContact CG1-CD2 3.42Å; S2984-L2988 PolarHBondContact O-N 3.36Å; A2985-L2988 PolarHBondContact O-N 3.43Å; C2986-L2988 VanDerWaalsContact C-N 3.34Å; L2988-A2990 VanDerWaalsContact C-N 3.33Å; L2988-A2990 PolarHBondContact O-N 2.87Å; L2988-T2991 PolarHBondContact O-N 2.8Å; L2988-S2992 PolarHBondContact O-N 3.44Å; L2988-S2992 PolarHBondContact O-OG 3.21Å; L2988-S2992 VanDerWaalsContact O-OG 3.07Å |
| 2989 | L | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 177.2 | 179.9 | 63.2 | 0 | 0 | 0 | 111.6 | F2941 A2985 C2986 T2991 S2992 L2993 F3003 F3010 L3045 F3097 L3101 | F2941-L2989 HydrophobicContact CE2-CD2 4.06Å; F2941-L2989 HydrophobicContact CZ-CB 4.38Å; F2941-L2989 HydrophobicContact CZ-CD2 3.86Å; A2985-L2989 PolarHBondContact O-N 3.47Å; C2986-L2989 PolarHBondContact O-N 3.38Å; L2989-T2991 PolarHBondContact O-N 3.48Å; L2989-S2992 PolarHBondContact O-N 3.37Å; L2989-L2993 HydrophobicContact CD1-CD1 4.06Å; L2989-L2993 HydrophobicContact CD1-CG 4.27Å; L2989-L2993 HydrophobicContact CG-CD1 3.9Å; L2989-L2993 WeakPolarHBondContact O-CB 3.25Å; L2989-L2993 VanDerWaalsContact O-CG 3.29Å; L2989-L2993 WeakPolarHBondContact O-CG 3.27Å; L2989-L2993 PolarHBondContact O-N 3.4Å; L2989-F3003 HydrophobicContact CD1-CZ 3.92Å; L2989-F3010 HydrophobicContact CD1-CB 3.92Å; L2989-F3010 HydrophobicContact CD1-CD1 4.14Å; L2989-F3010 HydrophobicContact CD1-CD2 3.85Å; L2989-F3010 HydrophobicContact CD1-CE2 4.44Å; L2989-F3010 HydrophobicContact CD1-CG 3.69Å; L2989-F3010 HydrophobicContact CD2-CB 4.36Å; L2989-F3010 HydrophobicContact CD2-CD1 4.36Å; L2989-F3010 HydrophobicContact CD2-CG 4.46Å; L2989-L3045 HydrophobicContact CD2-CD1 3.51Å; L2989-F3097 HydrophobicContact CB-CZ 4.4Å; L2989-F3097 HydrophobicContact CD2-CE1 4.07Å; L2989-F3097 HydrophobicContact CD2-CZ 3.96Å; L2989-F3097 HydrophobicContact CG-CZ 4.15Å; L2989-L3101 HydrophobicContact CD2-CD1 3.95Å |
| 2990 | A | 89.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C2986 L2988 L2993 L2994 C3079 I3082 L3083 F3097 | C2986-A2990 VanDerWaalsContact O-CB 3.31Å; C2986-A2990 WeakPolarHBondContact O-CB 3.12Å; C2986-A2990 PolarHBondContact O-N 3.32Å; L2988-A2990 VanDerWaalsContact C-N 3.33Å; L2988-A2990 PolarHBondContact O-N 2.87Å; A2990-L2993 PolarHBondContact O-N 2.76Å; A2990-L2994 WeakPolarHBondContact O-CB 3.15Å; A2990-L2994 VanDerWaalsContact O-CG 3.26Å; A2990-L2994 WeakPolarHBondContact O-CG 3.41Å; A2990-L2994 PolarHBondContact O-N 3.47Å; A2990-C3079 HydrophobicContact CB-CB 4.09Å; A2990-I3082 HydrophobicContact CB-CG2 4.38Å; A2990-L3083 HydrophobicContact CB-CD2 4.47Å; A2990-L3083 HydrophobicContact CB-CG 4.49Å; A2990-F3097 HydrophobicContact CB-CE2 3.93Å; A2990-F3097 HydrophobicContact CB-CZ 4.14Å |
| 2991 | T | 89 | Confident | 87.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 175.9 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | R2915 I2918 K2987 L2988 L2989 L2993 L2994 Y2995 I3129 | R2915-T2991 PolarHBondContact NE-OG1 3.22Å; I2918-T2991 HydrophobicContact CG2-CG2 4.37Å; K2987-T2991 WeakPolarHBondContact O-CB 3.23Å; K2987-T2991 PolarHBondContact O-N 3.45Å; K2987-T2991 PolarHBondContact O-OG1 3.48Å; L2988-T2991 PolarHBondContact O-N 2.8Å; L2989-T2991 PolarHBondContact O-N 3.48Å; T2991-L2993 VanDerWaalsContact C-N 3.35Å; T2991-L2993 PolarHBondContact O-N 2.81Å; T2991-L2994 PolarHBondContact O-N 2.85Å; T2991-Y2995 HydrophobicContact CG2-CD2 4.04Å; T2991-Y2995 HydrophobicContact CG2-CE2 3.82Å; T2991-Y2995 WeakPolarHBondContact O-CD2 3.43Å; T2991-Y2995 PolarHBondContact O-N 3.38Å; T2991-I3129 HydrophobicContact CG2-CG2 4.13Å |
| 2992 | S | 88.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.4 | -33.5 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | L2988 L2989 | L2988-S2992 PolarHBondContact O-N 3.44Å; L2988-S2992 PolarHBondContact O-OG 3.21Å; L2988-S2992 VanDerWaalsContact O-OG 3.07Å; L2989-S2992 PolarHBondContact O-N 3.37Å |
| 2993 | L | 86.8 | Confident | 86.8 | Confident | 20 Ų | 20 | 25.9 Ų | 25.9 | 11% | 0.105 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -78.5 | -28.5 | 178.1 | -71.5 | 169.1 | 0 | 0 | 0 | 113.7 | L2989 A2990 T2991 F3003 Q3007 V3011 L3101 | L2989-L2993 HydrophobicContact CD1-CD1 4.06Å; L2989-L2993 HydrophobicContact CD1-CG 4.27Å; L2989-L2993 HydrophobicContact CG-CD1 3.9Å; L2989-L2993 WeakPolarHBondContact O-CB 3.25Å; L2989-L2993 VanDerWaalsContact O-CG 3.29Å; L2989-L2993 WeakPolarHBondContact O-CG 3.27Å; L2989-L2993 PolarHBondContact O-N 3.4Å; A2990-L2993 PolarHBondContact O-N 2.76Å; T2991-L2993 VanDerWaalsContact C-N 3.35Å; T2991-L2993 PolarHBondContact O-N 2.81Å; L2993-F3003 HydrophobicContact CD2-CE1 3.89Å; L2993-F3003 HydrophobicContact CD2-CZ 4.44Å; L2993-F3003 HydrophobicContact CG-CE1 4.18Å; L2993-Q3007 HydrophobicContact CD2-CG 4.18Å; L2993-V3011 HydrophobicContact CD1-CG2 4.27Å; L2993-V3011 HydrophobicContact CD2-CG2 3.57Å; L2993-L3101 HydrophobicContact CD1-CD2 3.37Å |
| 2994 | L | 85.8 | Confident | 86.2 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -76.5 | -30.5 | 179.4 | -79.8 | 174.1 | 0 | 0 | 0 | 112.8 | A2990 T2991 Y3076 C3079 F3080 L3083 L3125 | A2990-L2994 WeakPolarHBondContact O-CB 3.15Å; A2990-L2994 VanDerWaalsContact O-CG 3.26Å; A2990-L2994 WeakPolarHBondContact O-CG 3.41Å; A2990-L2994 PolarHBondContact O-N 3.47Å; T2991-L2994 PolarHBondContact O-N 2.85Å; L2994-Y3076 HydrophobicContact CD2-CD1 3.52Å; L2994-Y3076 HydrophobicContact CD2-CE1 4.14Å; L2994-Y3076 HydrophobicContact CD2-CG 4.47Å; L2994-C3079 HydrophobicContact CD1-CB 3.73Å; L2994-C3079 HydrophobicContact CD2-CB 3.72Å; L2994-C3079 HydrophobicContact CG-CB 3.62Å; L2994-F3080 HydrophobicContact CD1-CD1 4.28Å; L2994-F3080 HydrophobicContact CD1-CE1 3.95Å; L2994-F3080 HydrophobicContact CD1-CZ 4.29Å; L2994-F3080 HydrophobicContact CD2-CE1 4.37Å; L2994-F3080 HydrophobicContact CD2-CE2 4.12Å; L2994-F3080 HydrophobicContact CD2-CZ 3.89Å; L2994-L3083 HydrophobicContact CD1-CD1 3.39Å; L2994-L3083 HydrophobicContact CD1-CG 4.43Å; L2994-L3125 HydrophobicContact CB-CD1 4.01Å; L2994-L3125 HydrophobicContact CD1-CD1 4.46Å; L2994-L3125 HydrophobicContact CD2-CD1 4.4Å; L2994-L3125 WeakPolarHBondContact O-CD2 3.39Å |
| 2995 | Y | 84.5 | Confident | 85.8 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -72.6 | 137.5 | 177.5 | -86.1 | -58.3 | 0 | 0 | 0 | 111.4 | I2918 S2919 T2991 R2999 L3000 I3129 | I2918-Y2995 HydrophobicContact CG2-CD2 3.54Å; I2918-Y2995 HydrophobicContact CG2-CE2 3.55Å; S2919-Y2995 PolarHBondContact OG-OH 2.94Å; T2991-Y2995 HydrophobicContact CG2-CD2 4.04Å; T2991-Y2995 HydrophobicContact CG2-CE2 3.82Å; T2991-Y2995 WeakPolarHBondContact O-CD2 3.43Å; T2991-Y2995 PolarHBondContact O-N 3.38Å; Y2995-R2999 HydrophobicContact CD1-CG 4.44Å; Y2995-R2999 VanDerWaalsContact CE1-NH1 3.28Å; Y2995-L3000 HydrophobicContact CD2-CD1 4.09Å; Y2995-L3000 HydrophobicContact CG-CD1 4.22Å; Y2995-I3129 HydrophobicContact CD1-CD1 4.25Å; Y2995-I3129 HydrophobicContact CD2-CD1 4Å; Y2995-I3129 HydrophobicContact CE1-CD1 3.8Å; Y2995-I3129 HydrophobicContact CE2-CD1 3.53Å; Y2995-I3129 HydrophobicContact CE2-CG2 4.27Å; Y2995-I3129 HydrophobicContact CG-CD1 4.36Å; Y2995-I3129 VanDerWaalsContact CZ-CD1 3.45Å |
| 2996 | P | 79.4 | Confident | 85.2 | Confident | 43 Ų | 43 | 39 Ų | 39 | 28% | 0.279 | 18% | 0.178 | S | C | . | . | trans | -70.7 | 155.8 | 179.9 | 29.8 | -34.5 | 0 | 0 | 0 | 111.8 | Y2998 R2999 L3000 | P2996-Y2998 HydrophobicContact CB-CD1 3.67Å; P2996-Y2998 HydrophobicContact CB-CE1 3.45Å; P2996-Y2998 VanDerWaalsContact CB-CE1 3.45Å; P2996-Y2998 HydrophobicContact CG-CD1 3.66Å; P2996-Y2998 HydrophobicContact CG-CE1 3.06Å; P2996-Y2998 HydrophobicContact CG-CE2 4.18Å; P2996-Y2998 HydrophobicContact CG-CG 4.43Å; P2996-Y2998 PolarHBondContact O-N 3.37Å; P2996-Y2998 VanDerWaalsContact O-N 3.08Å; P2996-R2999 PolarHBondContact O-N 3.47Å; P2996-L3000 PolarHBondContact O-N 3.45Å | ||
| 2997 | E | 78.4 | Confident | 84.6 | Confident | 137 Ų | 137 | 41.2 Ų | 41.2 | 64% | 0.64 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -31.5 | -175.1 | -60.2 | -174.5 | 163 | 0 | 0 | 113.6 | R2999 L3000 P3001 | E2997-R2999 PolarHBondContact O-N 2.77Å; E2997-L3000 CarbonylContact O-C 3.35Å; E2997-L3000 PolarHBondContact O-N 2.97Å; E2997-P3001 WeakPolarHBondContact O-CA 3.38Å; E2997-P3001 WeakPolarHBondContact O-CB 3.21Å; E2997-P3001 VanDerWaalsContact O-CD 3.26Å; E2997-P3001 WeakPolarHBondContact O-CD 3.41Å |
| 2998 | Y | 79.5 | Confident | 83.6 | Confident | 163 Ų | 163 | 47.8 Ų | 47.8 | 64% | 0.639 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.6 | 178.1 | 71.6 | -99.9 | 0 | 0 | 0 | 113.2 | P2996 | P2996-Y2998 HydrophobicContact CB-CD1 3.67Å; P2996-Y2998 HydrophobicContact CB-CE1 3.45Å; P2996-Y2998 VanDerWaalsContact CB-CE1 3.45Å; P2996-Y2998 HydrophobicContact CG-CD1 3.66Å; P2996-Y2998 HydrophobicContact CG-CE1 3.06Å; P2996-Y2998 HydrophobicContact CG-CE2 4.18Å; P2996-Y2998 HydrophobicContact CG-CG 4.43Å; P2996-Y2998 PolarHBondContact O-N 3.37Å; P2996-Y2998 VanDerWaalsContact O-N 3.08Å |
| 2999 | R | 80.9 | Confident | 82.9 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 19% | 0.185 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -34.3 | 177.5 | -159.6 | -171.6 | -171 | 133.4 | -7.8 | 111.6 | S2919 A2923 Y2995 P2996 E2997 P3001 E3126 | S2919-R2999 PolarHBondContact O-NH2 2.92Å; A2923-R2999 VanDerWaalsContact CB-O 3.23Å; A2923-R2999 WeakPolarHBondContact CB-O 3.18Å; Y2995-R2999 HydrophobicContact CD1-CG 4.44Å; Y2995-R2999 VanDerWaalsContact CE1-NH1 3.28Å; P2996-R2999 PolarHBondContact O-N 3.47Å; E2997-R2999 PolarHBondContact O-N 2.77Å; R2999-P3001 VanDerWaalsContact C-CD 3.41Å; R2999-E3126 IonicContact CZ-OE1 2.97Å; R2999-E3126 IonicContact NH1-OE1 2.68Å; R2999-E3126 PolarHBondContact NH1-OE1 3.37Å; R2999-E3126 IonicContact NH2-OE1 3.27Å |
| 3000 | L | 84.5 | Confident | 82.4 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -125.6 | 59 | 179.2 | -61.2 | -178.7 | 0 | 0 | 0 | 113 | I2918 L2926 W2930 Y2995 P2996 E2997 Q3002 F3003 | I2918-L3000 HydrophobicContact CG1-CD2 4.43Å; I2918-L3000 HydrophobicContact CG2-CD1 3.86Å; I2918-L3000 HydrophobicContact CG2-CD2 3.91Å; I2918-L3000 HydrophobicContact CG2-CG 4.37Å; L2926-L3000 HydrophobicContact CD1-CD2 3.46Å; L2926-L3000 VanDerWaalsContact CD1-CD2 3.46Å; W2930-L3000 HydrophobicContact CH2-CD1 4.35Å; W2930-L3000 HydrophobicContact CZ2-CB 4.49Å; W2930-L3000 HydrophobicContact CZ2-CD1 4.3Å; W2930-L3000 HydrophobicContact CZ2-CD2 3.81Å; W2930-L3000 HydrophobicContact CZ2-CG 4.43Å; Y2995-L3000 HydrophobicContact CD2-CD1 4.09Å; Y2995-L3000 HydrophobicContact CG-CD1 4.22Å; P2996-L3000 PolarHBondContact O-N 3.45Å; E2997-L3000 CarbonylContact O-C 3.35Å; E2997-L3000 PolarHBondContact O-N 2.97Å; L3000-Q3002 PolarHBondContact O-N 2.86Å; L3000-Q3002 VanDerWaalsContact O-N 3.14Å; L3000-F3003 HydrophobicContact CB-CB 4.03Å; L3000-F3003 PolarHBondContact O-N 3.24Å; L3000-F3003 VanDerWaalsContact O-N 3.08Å |
| 3001 | P | 83.1 | Confident | 81.7 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.2 | -28.6 | -172.2 | 21.4 | -28.7 | 0 | 0 | 0 | 112.6 | A2923 E2997 R2999 | A2923-P3001 HydrophobicContact CB-CG 4.25Å; E2997-P3001 WeakPolarHBondContact O-CA 3.38Å; E2997-P3001 WeakPolarHBondContact O-CB 3.21Å; E2997-P3001 VanDerWaalsContact O-CD 3.26Å; E2997-P3001 WeakPolarHBondContact O-CD 3.41Å; R2999-P3001 VanDerWaalsContact C-CD 3.41Å |
| 3002 | Q | 81.8 | Confident | 80.6 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.6 | -29.5 | 179.2 | -64.9 | 73.9 | 20.2 | 0 | 0 | 112.8 | N2927 W2930 L3000 S3004 Y3005 Y3006 | N2927-Q3002 PolarHBondContact OD1-NE2 3.34Å; N2927-Q3002 PolarHBondContact OD1-OE1 3.23Å; N2927-Q3002 VanDerWaalsContact OD1-OE1 3.04Å; W2930-Q3002 HydrophobicContact CG-CB 4.47Å; L3000-Q3002 PolarHBondContact O-N 2.86Å; L3000-Q3002 VanDerWaalsContact O-N 3.14Å; Q3002-S3004 VanDerWaalsContact C-N 3.28Å; Q3002-S3004 PolarHBondContact O-N 2.99Å; Q3002-Y3005 WeakPolarHBondContact O-CB 3.36Å; Q3002-Y3005 PolarHBondContact O-N 3.41Å; Q3002-Y3006 VanDerWaalsContact O-CD2 3.29Å; Q3002-Y3006 WeakPolarHBondContact O-CD2 3.45Å |
| 3003 | F | 83.5 | Confident | 79.1 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -32.2 | -179.7 | -178.7 | -104.8 | 0 | 0 | 0 | 111.6 | W2930 L2989 L2993 L3000 Y3005 Y3006 Q3007 F3010 | W2930-F3003 AromaticContact CE3-CD2 3.97Å; W2930-F3003 HydrophobicContact CE3-CD2 3.97Å; W2930-F3003 HydrophobicContact CH2-CB 3.88Å; W2930-F3003 AromaticContact CH2-CD2 3.72Å; W2930-F3003 HydrophobicContact CH2-CD2 3.72Å; W2930-F3003 HydrophobicContact CH2-CG 4.01Å; W2930-F3003 HydrophobicContact CZ2-CB 3.75Å; W2930-F3003 HydrophobicContact CZ2-CD2 4.4Å; W2930-F3003 HydrophobicContact CZ2-CG 4.4Å; W2930-F3003 HydrophobicContact CZ3-CB 4.36Å; W2930-F3003 AromaticContact CZ3-CD2 3.48Å; W2930-F3003 HydrophobicContact CZ3-CD2 3.48Å; W2930-F3003 VanDerWaalsContact CZ3-CD2 3.48Å; W2930-F3003 HydrophobicContact CZ3-CE2 4.21Å; W2930-F3003 HydrophobicContact CZ3-CG 4.24Å; L2989-F3003 HydrophobicContact CD1-CZ 3.92Å; L2993-F3003 HydrophobicContact CD2-CE1 3.89Å; L2993-F3003 HydrophobicContact CD2-CZ 4.44Å; L2993-F3003 HydrophobicContact CG-CE1 4.18Å; L3000-F3003 HydrophobicContact CB-CB 4.03Å; L3000-F3003 PolarHBondContact O-N 3.24Å; L3000-F3003 VanDerWaalsContact O-N 3.08Å; F3003-Y3005 PolarHBondContact O-N 3.44Å; F3003-Y3006 CarbonylContact O-C 3.5Å; F3003-Y3006 WeakPolarHBondContact O-CA 3.35Å; F3003-Y3006 PolarHBondContact O-N 3.14Å; F3003-Q3007 PolarHBondContact O-N 2.93Å; F3003-F3010 HydrophobicContact CE2-CD2 4.45Å; F3003-F3010 HydrophobicContact CE2-CE2 4.3Å; F3003-F3010 HydrophobicContact CZ-CD2 4.29Å |
| 3004 | S | 80.4 | Confident | 77.4 | Confident | 35 Ų | 35 | 56 Ų | 56 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.6 | -32 | 173.6 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | Q3002 Y3006 Q3007 | Q3002-S3004 VanDerWaalsContact C-N 3.28Å; Q3002-S3004 PolarHBondContact O-N 2.99Å; S3004-Y3006 PolarHBondContact O-N 3.46Å; S3004-Q3007 PolarHBondContact O-N 3.31Å |
| 3005 | Y | 81.6 | Confident | 75.7 | Confident | 171 Ų | 171 | 60.2 Ų | 60.2 | 67% | 0.671 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.7 | -12.4 | 173.3 | -60.4 | -71.2 | 0 | 0 | 0 | 114.3 | Q3002 F3003 W3008 | Q3002-Y3005 WeakPolarHBondContact O-CB 3.36Å; Q3002-Y3005 PolarHBondContact O-N 3.41Å; F3003-Y3005 PolarHBondContact O-N 3.44Å; Y3005-W3008 PolarHBondContact O-NE1 3.21Å |
| 3006 | Y | 81 | Confident | 73.8 | Confident | 78 Ų | 78 | 66.9 Ų | 66.9 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -109.6 | -13.4 | 175.9 | -60.8 | -73.4 | 0 | 0 | 0 | 112.4 | W2930 V2934 Q3002 F3003 S3004 W3008 A3009 F3010 | W2930-Y3006 HydrophobicContact CB-CD2 4.29Å; W2930-Y3006 HydrophobicContact CB-CE2 3.67Å; W2930-Y3006 HydrophobicContact CG-CE2 4.28Å; V2934-Y3006 HydrophobicContact CG1-CD1 3.92Å; V2934-Y3006 HydrophobicContact CG1-CE1 4.33Å; V2934-Y3006 HydrophobicContact CG1-CG 4.32Å; V2934-Y3006 HydrophobicContact CG2-CD1 4.34Å; V2934-Y3006 HydrophobicContact CG2-CD2 4.14Å; V2934-Y3006 HydrophobicContact CG2-CE2 4.46Å; V2934-Y3006 HydrophobicContact CG2-CG 4.07Å; Q3002-Y3006 VanDerWaalsContact O-CD2 3.29Å; Q3002-Y3006 WeakPolarHBondContact O-CD2 3.45Å; F3003-Y3006 CarbonylContact O-C 3.5Å; F3003-Y3006 WeakPolarHBondContact O-CA 3.35Å; F3003-Y3006 PolarHBondContact O-N 3.14Å; S3004-Y3006 PolarHBondContact O-N 3.46Å; Y3006-W3008 VanDerWaalsContact C-N 3.25Å; Y3006-W3008 PolarHBondContact O-N 2.95Å; Y3006-A3009 WeakPolarHBondContact O-CB 3.44Å; Y3006-A3009 PolarHBondContact O-N 2.96Å; Y3006-F3010 WeakPolarHBondContact O-CD2 3.36Å |
| 3007 | Q | 79.8 | Confident | 72.3 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.7 | -37.5 | -177.3 | -179.9 | 176.4 | -14.8 | 0 | 0 | 112.7 | L2993 F3003 S3004 A3009 F3010 V3011 | L2993-Q3007 HydrophobicContact CD2-CG 4.18Å; F3003-Q3007 PolarHBondContact O-N 2.93Å; S3004-Q3007 PolarHBondContact O-N 3.31Å; Q3007-A3009 PolarHBondContact O-N 3.43Å; Q3007-F3010 PolarHBondContact O-N 3.23Å; Q3007-V3011 HydrophobicContact CG-CB 4.1Å; Q3007-V3011 HydrophobicContact CG-CG2 3.96Å; Q3007-V3011 PolarHBondContact O-N 2.84Å |
| 3008 | W | 74.5 | Confident | 70.8 | Confident | 143 Ų | 143 | 64.9 Ų | 64.9 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.7 | 177.9 | 64.4 | -93.2 | 0 | 0 | 0 | 113.4 | Y3005 Y3006 F3041 | Y3005-W3008 PolarHBondContact O-NE1 3.21Å; Y3006-W3008 VanDerWaalsContact C-N 3.25Å; Y3006-W3008 PolarHBondContact O-N 2.95Å; W3008-F3041 HydrophobicContact CE3-CE1 4.13Å; W3008-F3041 AromaticContact CE3-CE2 3.82Å; W3008-F3041 HydrophobicContact CE3-CE2 3.82Å; W3008-F3041 AromaticContact CE3-CZ 3.4Å; W3008-F3041 HydrophobicContact CE3-CZ 3.4Å; W3008-F3041 AromaticContact CZ3-CE2 3.64Å; W3008-F3041 HydrophobicContact CZ3-CE2 3.64Å; W3008-F3041 AromaticContact CZ3-CZ 3.59Å; W3008-F3041 HydrophobicContact CZ3-CZ 3.59Å; W3008-F3041 WeakPolarHBondContact O-CE1 3.38Å |
| 3009 | A | 77.7 | Confident | 69.3 | Low | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -23.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F2938 Y3006 Q3007 F3044 | F2938-A3009 HydrophobicContact CE1-CB 3.75Å; F2938-A3009 HydrophobicContact CZ-CB 3.37Å; Y3006-A3009 WeakPolarHBondContact O-CB 3.44Å; Y3006-A3009 PolarHBondContact O-N 2.96Å; Q3007-A3009 PolarHBondContact O-N 3.43Å; A3009-F3044 PolarHBondContact O-N 3.07Å |
| 3010 | F | 80.5 | Confident | 67.7 | Low | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -37.6 | -174.4 | -55.4 | -69.3 | 0 | 0 | 0 | 112.6 | L2937 F2938 F2941 L2989 F3003 Y3006 Q3007 L3045 | L2937-F3010 HydrophobicContact CD2-CE1 3.88Å; L2937-F3010 HydrophobicContact CD2-CE2 4.18Å; L2937-F3010 HydrophobicContact CD2-CZ 3.54Å; L2937-F3010 HydrophobicContact CG-CE1 4.14Å; L2937-F3010 HydrophobicContact CG-CZ 4.13Å; F2938-F3010 HydrophobicContact CD1-CE1 4.42Å; F2938-F3010 HydrophobicContact CE1-CE1 4.16Å; F2938-F3010 HydrophobicContact CE1-CZ 4.27Å; F2938-F3010 HydrophobicContact CE2-CZ 4.24Å; F2938-F3010 HydrophobicContact CZ-CE1 4.4Å; F2938-F3010 HydrophobicContact CZ-CZ 4.05Å; F2941-F3010 HydrophobicContact CD2-CD1 4.48Å; F2941-F3010 HydrophobicContact CD2-CE1 4.08Å; F2941-F3010 HydrophobicContact CE2-CD1 4.27Å; F2941-F3010 HydrophobicContact CE2-CE1 4.05Å; L2989-F3010 HydrophobicContact CD1-CB 3.92Å; L2989-F3010 HydrophobicContact CD1-CD1 4.14Å; L2989-F3010 HydrophobicContact CD1-CD2 3.85Å; L2989-F3010 HydrophobicContact CD1-CE2 4.44Å; L2989-F3010 HydrophobicContact CD1-CG 3.69Å; L2989-F3010 HydrophobicContact CD2-CB 4.36Å; L2989-F3010 HydrophobicContact CD2-CD1 4.36Å; L2989-F3010 HydrophobicContact CD2-CG 4.46Å; F3003-F3010 HydrophobicContact CE2-CD2 4.45Å; F3003-F3010 HydrophobicContact CE2-CE2 4.3Å; F3003-F3010 HydrophobicContact CZ-CD2 4.29Å; Y3006-F3010 WeakPolarHBondContact O-CD2 3.36Å; Q3007-F3010 PolarHBondContact O-N 3.23Å; F3010-L3045 HydrophobicContact CB-CD1 3.81Å; F3010-L3045 HydrophobicContact CB-CG 4.5Å; F3010-L3045 HydrophobicContact CD1-CD1 3.9Å; F3010-L3045 HydrophobicContact CD1-CD2 4.47Å; F3010-L3045 HydrophobicContact CD1-CG 4.09Å; F3010-L3045 HydrophobicContact CG-CD1 4.34Å |
| 3011 | V | 74.7 | Confident | 66 | Low | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -109.8 | 138.2 | -175.8 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | L2993 Q3007 D3013 L3101 | L2993-V3011 HydrophobicContact CD1-CG2 4.27Å; L2993-V3011 HydrophobicContact CD2-CG2 3.57Å; Q3007-V3011 HydrophobicContact CG-CB 4.1Å; Q3007-V3011 HydrophobicContact CG-CG2 3.96Å; Q3007-V3011 PolarHBondContact O-N 2.84Å; V3011-D3013 PolarHBondContact O-N 2.63Å; V3011-L3101 HydrophobicContact CG2-CD2 3.95Å |
| 3012 | K | 65.8 | Low | 64.2 | Low | 53 Ų | 53 | 72.2 Ų | 72.2 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | trans | -78.1 | 103.1 | 173.5 | -166.6 | 179.2 | 177.1 | -176.8 | 0 | 109.7 | P3043 | K3012-P3043 HydrophobicContact CB-CG 3.88Å; K3012-P3043 HydrophobicContact CG-CG 4.41Å | ||
| 3013 | D | 56.7 | Low | 62.5 | Low | 84 Ų | 84 | 78.4 Ų | 78.4 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | trans | -87.7 | 120.2 | 173 | -104.5 | -34.4 | 0 | 0 | 0 | 111.6 | V3011 T3015 | V3011-D3013 PolarHBondContact O-N 2.63Å; D3013-T3015 VanDerWaalsContact C-N 3.28Å; D3013-T3015 PolarHBondContact O-N 2.83Å | ||
| 3014 | L | 50.3 | Low | 60.7 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9.1 | 179.2 | -80 | 176.3 | 0 | 0 | 0 | 114.3 | F3016 D3017 H3018 | L3014-F3016 PolarHBondContact O-N 3.37Å; L3014-F3016 VanDerWaalsContact O-N 3.08Å; L3014-D3017 HydrophobicContact CD2-CB 4.13Å; L3014-D3017 PolarHBondContact O-N 3.46Å; L3014-H3018 PolarHBondContact O-N 2.84Å; L3014-H3018 VanDerWaalsContact O-N 3.12Å |
| 3015 | T | 50.1 | Low | 58.5 | Low | 95 Ų | 95 | 91 Ų | 91 | 58% | 0.583 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57 | -30.5 | -177.2 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | D3013 | D3013-T3015 VanDerWaalsContact C-N 3.28Å; D3013-T3015 PolarHBondContact O-N 2.83Å |
| 3016 | F | 46.2 | Very low | 56.5 | Low | 150 Ų | 150 | 88.2 Ų | 88.2 | 66% | 0.658 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -74.5 | -37.7 | 173.9 | -99.7 | -86.3 | 0 | 0 | 0 | 114.4 | L3014 H3018 L3019 T3020 | L3014-F3016 PolarHBondContact O-N 3.37Å; L3014-F3016 VanDerWaalsContact O-N 3.08Å; F3016-H3018 VanDerWaalsContact C-N 3.32Å; F3016-H3018 PolarHBondContact O-N 3.4Å; F3016-L3019 PolarHBondContact O-N 3.42Å; F3016-T3020 PolarHBondContact O-N 3.22Å; F3016-T3020 PolarHBondContact O-OG1 2.72Å |
| 3017 | D | 46.9 | Very low | 54.6 | Low | 37 Ų | 37 | 92.2 Ų | 92.2 | 20% | 0.198 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -71.6 | -27.7 | -179.8 | -77.9 | -17.8 | 0 | 0 | 0 | 111.7 | L3014 T3020 N3021 | L3014-D3017 HydrophobicContact CD2-CB 4.13Å; L3014-D3017 PolarHBondContact O-N 3.46Å; D3017-T3020 PolarHBondContact O-OG1 3.07Å; D3017-T3020 VanDerWaalsContact O-OG1 3.05Å; D3017-N3021 PolarHBondContact O-N 3.18Å; D3017-N3021 PolarHBondContact O-ND2 3.44Å |
| 3018 | H | 47.4 | Very low | 52.4 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 47% | 0.468 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.2 | -32.4 | 174.5 | -82.4 | -66.3 | 0 | 0 | 0 | 113.5 | L3014 F3016 N3021 Q3022 | L3014-H3018 PolarHBondContact O-N 2.84Å; L3014-H3018 VanDerWaalsContact O-N 3.12Å; F3016-H3018 VanDerWaalsContact C-N 3.32Å; F3016-H3018 PolarHBondContact O-N 3.4Å; H3018-N3021 PolarHBondContact O-N 2.82Å; H3018-Q3022 PolarHBondContact O-N 2.99Å |
| 3019 | L | 47.9 | Very low | 50.6 | Low | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.9 | -38.4 | 176.8 | -75.6 | 166.3 | 0 | 0 | 0 | 111.8 | F3016 N3021 Q3022 | F3016-L3019 PolarHBondContact O-N 3.42Å; L3019-N3021 VanDerWaalsContact C-N 3.29Å; L3019-N3021 PolarHBondContact O-N 3.49Å; L3019-Q3022 PolarHBondContact O-N 3.41Å |
| 3020 | T | 48.2 | Very low | 48.6 | Very low | 75 Ų | 75 | 100.7 Ų | 100.7 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69 | -28.7 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | F3016 D3017 | F3016-T3020 PolarHBondContact O-N 3.22Å; F3016-T3020 PolarHBondContact O-OG1 2.72Å; D3017-T3020 PolarHBondContact O-OG1 3.07Å; D3017-T3020 VanDerWaalsContact O-OG1 3.05Å |
| 3021 | N | 48.6 | Very low | 46.4 | Very low | 70 Ų | 70 | 107.5 Ų | 107.5 | 37% | 0.374 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -77.8 | -24.2 | 176.8 | -76 | -51.5 | 0 | 0 | 0 | 114 | D3017 H3018 L3019 R3037 | D3017-N3021 PolarHBondContact O-N 3.18Å; D3017-N3021 PolarHBondContact O-ND2 3.44Å; H3018-N3021 PolarHBondContact O-N 2.82Å; L3019-N3021 VanDerWaalsContact C-N 3.29Å; L3019-N3021 PolarHBondContact O-N 3.49Å; N3021-R3037 PolarHBondContact OD1-NH1 2.84Å |
| 3022 | Q | 45.1 | Very low | 44.5 | Very low | 158 Ų | 158 | 113.6 Ų | 113.6 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.5 | -27.1 | 178.2 | -83.3 | -167.5 | 3.1 | 0 | 0 | 113.6 | H3018 L3019 E3024 | H3018-Q3022 PolarHBondContact O-N 2.99Å; L3019-Q3022 PolarHBondContact O-N 3.41Å; Q3022-E3024 PolarHBondContact O-N 3.37Å |
| 3023 | E | 46.6 | Very low | 43.1 | Very low | 175 Ų | 175 | 117.7 Ų | 117.7 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -13.3 | 176.1 | -67.3 | -169.6 | 164.3 | 0 | 0 | 113.1 | ||
| 3024 | E | 44.3 | Very low | 42.2 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 60% | 0.598 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 3.2 | 178.8 | -71.4 | -168.7 | 159 | 0 | 0 | 114.8 | Q3022 T3026 R3037 | Q3022-E3024 PolarHBondContact O-N 3.37Å; E3024-T3026 PolarHBondContact O-N 2.91Å; E3024-R3037 IonicContact OE2-CZ 3.91Å; E3024-R3037 IonicContact OE2-NH2 2.84Å; E3024-R3037 PolarHBondContact OE2-NH2 3.29Å |
| 3025 | M | 34.2 | Very low | 41.8 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 86% | 0.862 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -83.7 | 16.6 | 179 | -154.4 | 157.2 | -164.1 | 0 | 0 | 115.1 | ||
| 3026 | T | 39.4 | Very low | 41.4 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -136.2 | 80.4 | 161 | 57.6 | 0 | 0 | 0 | 0 | 108.9 | E3024 | E3024-T3026 PolarHBondContact O-N 2.91Š|
| 3027 | N | 41 | Very low | 41.3 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 86% | 0.861 | 67% | 0.671 | S | S | * | * | trans | -170.1 | 89.4 | 144.9 | -85 | -24.3 | 0 | 0 | 0 | 110.1 | T3029 | N3027-T3029 PolarHBondContact O-N 3.41Š| ||
| 3028 | V | 33.4 | Very low | 41.1 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 83% | 0.83 | 70% | 0.699 | S | S | * | * | trans | -62 | 114 | 160.5 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3029 | T | 37.2 | Very low | 41.2 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | 164.2 | 120 | 123.7 | 42.4 | 0 | 0 | 0 | 0 | 111.8 | N3027 | N3027-T3029 PolarHBondContact O-N 3.41Š| |||
| 3030 | T | 36.3 | Very low | 41.5 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | trans | 69.6 | 123.9 | 137.3 | 58 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 3031 | L | 34.1 | Very low | 41.8 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | trans | 92.8 | 102.9 | 144.9 | -100.1 | 92.2 | 0 | 0 | 0 | 119.5 | ||||
| 3032 | N | 34.3 | Very low | 42.3 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | 66.4 | 115.8 | 124.9 | -69.6 | -7.3 | 0 | 0 | 0 | 119.6 | |||||
| 3033 | N | 37.4 | Very low | 43.4 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | 56.6 | 95.5 | 144.3 | -68.9 | -9.8 | 0 | 0 | 0 | 115.9 | ||||
| 3034 | D | 37.1 | Very low | 44.4 | Very low | 143 Ų | 143 | 124.9 Ų | 124.9 | 77% | 0.765 | 65% | 0.651 | S | S | * | * | -160 | 127.1 | 112.9 | -90.8 | -29.5 | 0 | 0 | 0 | 109.3 | N3036 | D3034-N3036 PolarHBondContact O-N 2.87Š| |||
| 3035 | N | 42.4 | Very low | 46 | Very low | 171 Ų | 171 | 119.1 Ų | 119.1 | 91% | 0.914 | 62% | 0.624 | S | S | * | * | trans | -66.9 | 40.6 | 178.2 | -76.1 | -28 | 0 | 0 | 0 | 113.1 | ||||
| 3036 | N | 41 | Very low | 48 | Very low | 108 Ų | 108 | 111 Ų | 111 | 58% | 0.578 | 59% | 0.585 | S | S | * | * | trans | -116.2 | 41 | -176.6 | -82.3 | -28 | 0 | 0 | 0 | 111.9 | D3034 R3038 | D3034-N3036 PolarHBondContact O-N 2.87Å; N3036-R3038 PolarHBondContact O-N 3.4Å | ||
| 3037 | R | 43.7 | Very low | 49.9 | Very low | 185 Ų | 185 | 108.8 Ų | 108.8 | 70% | 0.698 | 57% | 0.569 | S | S | * | * | trans | -66 | 76 | 151.9 | -84.1 | -174 | 172.7 | -172.1 | -6.7 | 107.5 | N3021 E3024 T3039 | N3021-R3037 PolarHBondContact OD1-NH1 2.84Å; E3024-R3037 IonicContact OE2-CZ 3.91Å; E3024-R3037 IonicContact OE2-NH2 2.84Å; E3024-R3037 PolarHBondContact OE2-NH2 3.29Å; R3037-T3039 VanDerWaalsContact C-N 3.34Å; R3037-T3039 PolarHBondContact O-N 3.48Å | ||
| 3038 | R | 43.5 | Very low | 51.8 | Low | 207 Ų | 207 | 101.1 Ų | 101.1 | 78% | 0.781 | 53% | 0.528 | S | S | * | . | trans | -63 | 100 | 170.4 | -69 | -178.3 | -179.9 | -176.9 | 0.7 | 105.5 | N3036 S3040 | N3036-R3038 PolarHBondContact O-N 3.4Å; R3038-S3040 PolarHBondContact O-N 2.93Å | ||
| 3039 | T | 48.8 | Very low | 54.2 | Low | 58 Ų | 58 | 95 Ų | 95 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | trans | -49.4 | 113.8 | 162.9 | 50.5 | 0 | 0 | 0 | 0 | 106.1 | R3037 F3041 | R3037-T3039 VanDerWaalsContact C-N 3.34Å; R3037-T3039 PolarHBondContact O-N 3.48Å; T3039-F3041 PolarHBondContact O-N 3.19Å | ||
| 3040 | S | 54 | Low | 56.4 | Low | 111 Ų | 111 | 92 Ų | 92 | 78% | 0.776 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -66.3 | -8.4 | -164.4 | 50 | 0 | 0 | 0 | 0 | 113.7 | R3038 | R3038-S3040 PolarHBondContact O-N 2.93Š|
| 3041 | F | 54.9 | Low | 58.6 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 41% | 0.412 | 44% | 0.439 | S | S | . | . | trans | -140.9 | 120.9 | -179.1 | -174.5 | -97.5 | 0 | 0 | 0 | 111.1 | W3008 T3039 P3043 | W3008-F3041 HydrophobicContact CE3-CE1 4.13Å; W3008-F3041 AromaticContact CE3-CE2 3.82Å; W3008-F3041 HydrophobicContact CE3-CE2 3.82Å; W3008-F3041 AromaticContact CE3-CZ 3.4Å; W3008-F3041 HydrophobicContact CE3-CZ 3.4Å; W3008-F3041 AromaticContact CZ3-CE2 3.64Å; W3008-F3041 HydrophobicContact CZ3-CE2 3.64Å; W3008-F3041 AromaticContact CZ3-CZ 3.59Å; W3008-F3041 HydrophobicContact CZ3-CZ 3.59Å; W3008-F3041 WeakPolarHBondContact O-CE1 3.38Å; T3039-F3041 PolarHBondContact O-N 3.19Å; F3041-P3043 HydrophobicContact CE1-CB 4.26Å | ||
| 3042 | L | 59.9 | Low | 60.9 | Low | 113 Ų | 113 | 80 Ų | 80 | 59% | 0.592 | 40% | 0.403 | S | S | * | . | trans | -102.5 | 124.3 | 166.2 | -103.3 | 109.1 | 0 | 0 | 0 | 108.1 | ||||
| 3043 | P | 67.1 | Low | 63.2 | Low | 4 Ų | 4 | 77.1 Ų | 77.1 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | trans | -62.9 | 145.7 | 175.6 | 20 | -24.7 | 0 | 0 | 0 | 110.1 | K3012 F3041 L3045 S3046 | K3012-P3043 HydrophobicContact CB-CG 3.88Å; K3012-P3043 HydrophobicContact CG-CG 4.41Å; F3041-P3043 HydrophobicContact CE1-CB 4.26Å; P3043-L3045 PolarHBondContact O-N 3.18Å; P3043-L3045 VanDerWaalsContact O-N 3.1Å; P3043-S3046 WeakPolarHBondContact CD-OG 3.42Å; P3043-S3046 WeakPolarHBondContact CG-OG 3.46Å; P3043-S3046 VanDerWaalsContact O-CB 3.26Å; P3043-S3046 WeakPolarHBondContact O-CB 3.21Å; P3043-S3046 PolarHBondContact O-N 2.85Å; P3043-S3046 PolarHBondContact O-OG 2.87Å; P3043-S3046 VanDerWaalsContact O-OG 3.06Å | ||
| 3044 | F | 69.3 | Low | 65.4 | Low | 65 Ų | 65 | 74.9 Ų | 74.9 | 29% | 0.285 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -34.5 | -171.1 | -177.4 | -104.8 | 0 | 0 | 0 | 112.8 | F2938 F2941 K2942 A3009 S3046 D3047 | F2938-F3044 AromaticContact CD1-CD1 3.96Å; F2938-F3044 HydrophobicContact CD1-CD1 3.96Å; F2938-F3044 HydrophobicContact CD1-CE1 4.36Å; F2938-F3044 HydrophobicContact CD1-CG 4.2Å; F2938-F3044 HydrophobicContact CE1-CB 4.3Å; F2938-F3044 HydrophobicContact CE1-CD1 4.43Å; F2938-F3044 HydrophobicContact CE1-CG 4.36Å; F2941-F3044 HydrophobicContact CB-CD1 4.15Å; F2941-F3044 HydrophobicContact CB-CE1 3.65Å; K2942-F3044 HydrophobicContact CB-CE1 4.42Å; K2942-F3044 HydrophobicContact CB-CZ 3.77Å; K2942-F3044 HydrophobicContact CG-CZ 4.28Å; A3009-F3044 PolarHBondContact O-N 3.07Å; F3044-S3046 PolarHBondContact O-N 3Å; F3044-D3047 PolarHBondContact O-N 3.22Å |
| 3045 | L | 77.1 | Confident | 67.3 | Low | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.3 | -14.6 | 179 | -63.4 | -178.8 | 0 | 0 | 0 | 114.3 | F2941 L2989 F3010 P3043 D3047 V3048 L3049 F3098 L3101 | F2941-L3045 HydrophobicContact CB-CD2 4.01Å; F2941-L3045 HydrophobicContact CD1-CD2 3.74Å; F2941-L3045 HydrophobicContact CD2-CD2 3.63Å; F2941-L3045 HydrophobicContact CE1-CD2 4.05Å; F2941-L3045 HydrophobicContact CE2-CD2 3.91Å; F2941-L3045 HydrophobicContact CG-CD2 3.53Å; F2941-L3045 HydrophobicContact CZ-CD2 4.13Å; L2989-L3045 HydrophobicContact CD2-CD1 3.51Å; F3010-L3045 HydrophobicContact CB-CD1 3.81Å; F3010-L3045 HydrophobicContact CB-CG 4.5Å; F3010-L3045 HydrophobicContact CD1-CD1 3.9Å; F3010-L3045 HydrophobicContact CD1-CD2 4.47Å; F3010-L3045 HydrophobicContact CD1-CG 4.09Å; F3010-L3045 HydrophobicContact CG-CD1 4.34Å; P3043-L3045 PolarHBondContact O-N 3.18Å; P3043-L3045 VanDerWaalsContact O-N 3.1Å; L3045-D3047 VanDerWaalsContact C-N 3.28Å; L3045-D3047 PolarHBondContact O-N 3.35Å; L3045-V3048 HydrophobicContact CD2-CG2 4.33Å; L3045-V3048 WeakPolarHBondContact O-CB 3.16Å; L3045-V3048 PolarHBondContact O-N 3.26Å; L3045-L3049 PolarHBondContact O-N 3.45Å; L3045-F3098 HydrophobicContact CB-CD1 4.29Å; L3045-F3098 HydrophobicContact CD1-CD1 4.29Å; L3045-F3098 HydrophobicContact CD1-CE1 4.23Å; L3045-F3098 HydrophobicContact CD2-CD1 4.46Å; L3045-F3098 HydrophobicContact CD2-CE1 3.95Å; L3045-F3098 HydrophobicContact CG-CE1 4.5Å; L3045-L3101 HydrophobicContact CD1-CD1 3.71Å |
| 3046 | S | 75.8 | Confident | 69.1 | Low | 5 Ų | 5 | 61.8 Ų | 61.8 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.5 | -33.7 | 174.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | P3043 F3044 L3049 T3050 H3102 | P3043-S3046 WeakPolarHBondContact CD-OG 3.42Å; P3043-S3046 WeakPolarHBondContact CG-OG 3.46Å; P3043-S3046 VanDerWaalsContact O-CB 3.26Å; P3043-S3046 WeakPolarHBondContact O-CB 3.21Å; P3043-S3046 PolarHBondContact O-N 2.85Å; P3043-S3046 PolarHBondContact O-OG 2.87Å; P3043-S3046 VanDerWaalsContact O-OG 3.06Å; F3044-S3046 PolarHBondContact O-N 3Å; S3046-L3049 PolarHBondContact O-N 3.35Å; S3046-T3050 VanDerWaalsContact O-CG2 3.25Å; S3046-T3050 WeakPolarHBondContact O-CG2 3.29Å; S3046-T3050 PolarHBondContact O-N 3.42Å; S3046-T3050 PolarHBondContact O-OG1 3.34Å; S3046-H3102 PolarHBondContact OG-ND1 3.46Å; S3046-H3102 VanDerWaalsContact OG-ND1 3.13Å |
| 3047 | D | 79.5 | Confident | 70.8 | Confident | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 173 | 179.7 | 42 | 0 | 0 | 0 | 109.8 | S2945 F3044 L3045 L3049 T3050 Q3051 | S2945-D3047 PolarHBondContact OG-OD2 3.38Å; F3044-D3047 PolarHBondContact O-N 3.22Å; L3045-D3047 VanDerWaalsContact C-N 3.28Å; L3045-D3047 PolarHBondContact O-N 3.35Å; D3047-L3049 VanDerWaalsContact C-N 3.33Å; D3047-L3049 PolarHBondContact O-N 2.83Å; D3047-T3050 PolarHBondContact O-N 2.85Å; D3047-T3050 VanDerWaalsContact O-N 3.13Å; D3047-T3050 PolarHBondContact O-OG1 2.92Å; D3047-Q3051 WeakPolarHBondContact O-CG 3.37Å; D3047-Q3051 PolarHBondContact O-N 3.47Å; D3047-Q3051 PolarHBondContact OD1-NE2 2.81Å |
| 3048 | V | 82.1 | Confident | 72.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.7 | -47 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | F2941 L2944 L3045 Q3051 I3052 F3098 | F2941-V3048 HydrophobicContact CB-CG2 4.42Å; L2944-V3048 HydrophobicContact CD2-CG1 3.67Å; L2944-V3048 HydrophobicContact CG-CG1 3.99Å; L3045-V3048 HydrophobicContact CD2-CG2 4.33Å; L3045-V3048 WeakPolarHBondContact O-CB 3.16Å; L3045-V3048 PolarHBondContact O-N 3.26Å; V3048-Q3051 PolarHBondContact O-N 2.86Å; V3048-I3052 HydrophobicContact CG1-CD1 4.08Å; V3048-I3052 WeakPolarHBondContact O-CG1 3.33Å; V3048-I3052 PolarHBondContact O-N 3.43Å; V3048-F3098 HydrophobicContact CG1-CD2 4.39Å; V3048-F3098 HydrophobicContact CG1-CE1 4.46Å; V3048-F3098 HydrophobicContact CG1-CE2 3.99Å; V3048-F3098 HydrophobicContact CG1-CZ 4.05Å |
| 3049 | L | 83.6 | Confident | 73.5 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.6 | 179.5 | 59.6 | 0 | 0 | 0 | 111.6 | L3045 S3046 D3047 Q3051 I3052 E3053 K3095 F3098 E3099 H3102 | L3045-L3049 PolarHBondContact O-N 3.45Å; S3046-L3049 PolarHBondContact O-N 3.35Å; D3047-L3049 VanDerWaalsContact C-N 3.33Å; D3047-L3049 PolarHBondContact O-N 2.83Å; L3049-Q3051 PolarHBondContact O-N 3.35Å; L3049-I3052 PolarHBondContact O-N 2.99Å; L3049-E3053 HydrophobicContact CD1-CG 4.3Å; L3049-E3053 WeakPolarHBondContact O-CG 3.18Å; L3049-E3053 PolarHBondContact O-N 3.49Å; L3049-K3095 HydrophobicContact CD1-CG 4.09Å; L3049-F3098 HydrophobicContact CB-CB 4.22Å; L3049-F3098 HydrophobicContact CD1-CB 4.1Å; L3049-E3099 HydrophobicContact CD1-CG 3.77Å; L3049-E3099 HydrophobicContact CD2-CG 4.29Å; L3049-H3102 HydrophobicContact CD2-CB 3.85Å |
| 3050 | T | 83.2 | Confident | 74.6 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -31.9 | 178.5 | 65.5 | 0 | 0 | 0 | 0 | 112.6 | S3046 D3047 K3054 | S3046-T3050 VanDerWaalsContact O-CG2 3.25Å; S3046-T3050 WeakPolarHBondContact O-CG2 3.29Å; S3046-T3050 PolarHBondContact O-N 3.42Å; S3046-T3050 PolarHBondContact O-OG1 3.34Å; D3047-T3050 PolarHBondContact O-N 2.85Å; D3047-T3050 VanDerWaalsContact O-N 3.13Å; D3047-T3050 PolarHBondContact O-OG1 2.92Å; T3050-K3054 WeakPolarHBondContact O-CB 3.45Å; T3050-K3054 WeakPolarHBondContact O-CD 3.2Å; T3050-K3054 VanDerWaalsContact O-CG 3.23Å; T3050-K3054 WeakPolarHBondContact O-CG 3.4Å; T3050-K3054 PolarHBondContact O-N 3.09Å |
| 3051 | Q | 81.8 | Confident | 75.1 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.5 | -39.7 | 173.8 | -60.2 | -54.8 | -25.2 | 0 | 0 | 111.6 | S2945 I2948 D3047 V3048 L3049 E3053 K3054 L3055 | S2945-Q3051 WeakPolarHBondContact OG-CG 3.32Å; I2948-Q3051 HydrophobicContact CB-CB 4.11Å; I2948-Q3051 HydrophobicContact CG2-CB 3.73Å; I2948-Q3051 VanDerWaalsContact CG2-O 3.32Å; I2948-Q3051 WeakPolarHBondContact CG2-O 3.33Å; D3047-Q3051 WeakPolarHBondContact O-CG 3.37Å; D3047-Q3051 PolarHBondContact O-N 3.47Å; D3047-Q3051 PolarHBondContact OD1-NE2 2.81Å; V3048-Q3051 PolarHBondContact O-N 2.86Å; L3049-Q3051 PolarHBondContact O-N 3.35Å; Q3051-E3053 VanDerWaalsContact C-N 3.33Å; Q3051-K3054 PolarHBondContact O-N 3.42Å; Q3051-L3055 WeakPolarHBondContact O-CB 3.37Å; Q3051-L3055 PolarHBondContact O-N 3.14Å |
| 3052 | I | 81.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 175 | -67.1 | 170.7 | 0 | 0 | 0 | 110.5 | I2948 V3048 L3049 L3055 Q3056 Y3092 K3095 F3098 | I2948-I3052 HydrophobicContact CD1-CD1 4.4Å; I2948-I3052 HydrophobicContact CD1-CG1 3.62Å; V3048-I3052 HydrophobicContact CG1-CD1 4.08Å; V3048-I3052 WeakPolarHBondContact O-CG1 3.33Å; V3048-I3052 PolarHBondContact O-N 3.43Å; L3049-I3052 PolarHBondContact O-N 2.99Å; I3052-L3055 WeakPolarHBondContact O-CB 3.35Å; I3052-L3055 PolarHBondContact O-N 3.02Å; I3052-Q3056 WeakPolarHBondContact O-CB 3.22Å; I3052-Q3056 PolarHBondContact O-N 3.42Å; I3052-Y3092 HydrophobicContact CG2-CD1 4.16Å; I3052-K3095 HydrophobicContact CG2-CB 4.05Å; I3052-K3095 HydrophobicContact CG2-CD 4.4Å; I3052-K3095 HydrophobicContact CG2-CG 3.98Å; I3052-F3098 HydrophobicContact CD1-CD2 3.58Å; I3052-F3098 HydrophobicContact CD1-CE2 3.84Å |
| 3053 | E | 84 | Confident | 75.2 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 33% | 0.327 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 176.4 | -71.7 | 173.5 | 162.1 | 0 | 0 | 111.7 | L3049 Q3051 L3055 Q3056 E3057 | L3049-E3053 HydrophobicContact CD1-CG 4.3Å; L3049-E3053 WeakPolarHBondContact O-CG 3.18Å; L3049-E3053 PolarHBondContact O-N 3.49Å; Q3051-E3053 VanDerWaalsContact C-N 3.33Å; E3053-L3055 VanDerWaalsContact C-N 3.29Å; E3053-L3055 PolarHBondContact O-N 3.38Å; E3053-Q3056 WeakPolarHBondContact O-CB 3.25Å; E3053-Q3056 PolarHBondContact O-N 3.08Å; E3053-Q3056 VanDerWaalsContact O-N 3.11Å; E3053-E3057 WeakPolarHBondContact O-CG 3.02Å; E3053-E3057 PolarHBondContact O-N 3.34Å |
| 3054 | K | 82.2 | Confident | 74.8 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 173.5 | -74.3 | 168.1 | -171.5 | 165.3 | 0 | 112.3 | T3050 Q3051 V3058 | T3050-K3054 WeakPolarHBondContact O-CB 3.45Å; T3050-K3054 WeakPolarHBondContact O-CD 3.2Å; T3050-K3054 VanDerWaalsContact O-CG 3.23Å; T3050-K3054 WeakPolarHBondContact O-CG 3.4Å; T3050-K3054 PolarHBondContact O-N 3.09Å; Q3051-K3054 PolarHBondContact O-N 3.42Å; K3054-V3058 WeakPolarHBondContact O-CB 3.44Å; K3054-V3058 VanDerWaalsContact O-CG2 3.23Å; K3054-V3058 WeakPolarHBondContact O-CG2 3.24Å; K3054-V3058 PolarHBondContact O-N 2.97Å |
| 3055 | L | 78.5 | Confident | 74.1 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.9 | -172.5 | 95 | 0 | 0 | 0 | 110.4 | I2948 C2951 V2952 I2955 Q3051 I3052 E3053 E3057 V3058 D3059 I3091 Y3092 | I2948-L3055 HydrophobicContact CG2-CB 3.95Å; I2948-L3055 HydrophobicContact CG2-CD1 4.17Å; I2948-L3055 HydrophobicContact CG2-CG 4.45Å; C2951-L3055 HydrophobicContact CB-CD1 3.97Å; V2952-L3055 HydrophobicContact CG2-CB 3.91Å; V2952-L3055 HydrophobicContact CG2-CD1 3.75Å; V2952-L3055 HydrophobicContact CG2-CG 4.43Å; I2955-L3055 HydrophobicContact CD1-CD1 4.42Å; Q3051-L3055 WeakPolarHBondContact O-CB 3.37Å; Q3051-L3055 PolarHBondContact O-N 3.14Å; I3052-L3055 WeakPolarHBondContact O-CB 3.35Å; I3052-L3055 PolarHBondContact O-N 3.02Å; E3053-L3055 VanDerWaalsContact C-N 3.29Å; E3053-L3055 PolarHBondContact O-N 3.38Å; L3055-E3057 PolarHBondContact O-N 2.95Å; L3055-V3058 PolarHBondContact O-N 3.43Å; L3055-D3059 PolarHBondContact O-N 2.81Å; L3055-I3091 HydrophobicContact CD2-CG2 3.7Å; L3055-Y3092 HydrophobicContact CD2-CE1 3.72Å; L3055-Y3092 HydrophobicContact CD2-CE2 4.47Å; L3055-Y3092 VanDerWaalsContact CD2-OH 3.23Å; L3055-Y3092 WeakPolarHBondContact CD2-OH 3.37Å; L3055-Y3092 HydrophobicContact CG-CE1 4.38Å; L3055-Y3092 WeakPolarHBondContact CG-OH 3.36Å; L3055-Y3092 PolarHBondContact O-OH 3.43Å |
| 3056 | Q | 78.8 | Confident | 73.1 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 177.7 | -169.1 | -180 | -1.5 | 0 | 0 | 111.5 | I3052 E3053 V3058 D3059 I3060 V3066 Y3092 | I3052-Q3056 WeakPolarHBondContact O-CB 3.22Å; I3052-Q3056 PolarHBondContact O-N 3.42Å; E3053-Q3056 WeakPolarHBondContact O-CB 3.25Å; E3053-Q3056 PolarHBondContact O-N 3.08Å; E3053-Q3056 VanDerWaalsContact O-N 3.11Å; Q3056-V3058 VanDerWaalsContact C-N 3.33Å; Q3056-V3058 PolarHBondContact O-N 3.37Å; Q3056-D3059 PolarHBondContact O-N 2.77Å; Q3056-I3060 HydrophobicContact CG-CD1 3.79Å; Q3056-I3060 HydrophobicContact CG-CG1 4.39Å; Q3056-I3060 WeakPolarHBondContact O-CB 3.22Å; Q3056-I3060 WeakPolarHBondContact O-CG1 3.27Å; Q3056-I3060 PolarHBondContact O-N 3.17Å; Q3056-V3066 HydrophobicContact CG-CG1 4.3Å; Q3056-Y3092 HydrophobicContact CB-CD1 4.31Å; Q3056-Y3092 HydrophobicContact CB-CE1 3.67Å; Q3056-Y3092 HydrophobicContact CG-CE1 4.17Å |
| 3057 | E | 77.3 | Confident | 71.9 | Confident | 134 Ų | 134 | 58.1 Ų | 58.1 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 176.1 | -73.5 | 177.8 | 177 | 0 | 0 | 111.9 | E3053 L3055 S3061 | E3053-E3057 WeakPolarHBondContact O-CG 3.02Å; E3053-E3057 PolarHBondContact O-N 3.34Å; L3055-E3057 PolarHBondContact O-N 2.95Å; E3057-S3061 VanDerWaalsContact O-CB 3.32Å; E3057-S3061 WeakPolarHBondContact O-CB 3.25Å; E3057-S3061 PolarHBondContact O-N 3.37Å |
| 3058 | V | 71.5 | Confident | 70.4 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 178.3 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | V2952 I2955 K3054 L3055 Q3056 S3061 N3062 | V2952-V3058 HydrophobicContact CG1-CG2 4.26Å; I2955-V3058 HydrophobicContact CB-CG1 4.03Å; I2955-V3058 HydrophobicContact CD1-CG1 4.45Å; I2955-V3058 HydrophobicContact CG2-CG1 3.36Å; K3054-V3058 WeakPolarHBondContact O-CB 3.44Å; K3054-V3058 VanDerWaalsContact O-CG2 3.23Å; K3054-V3058 WeakPolarHBondContact O-CG2 3.24Å; K3054-V3058 PolarHBondContact O-N 2.97Å; L3055-V3058 PolarHBondContact O-N 3.43Å; Q3056-V3058 VanDerWaalsContact C-N 3.33Å; Q3056-V3058 PolarHBondContact O-N 3.37Å; V3058-S3061 PolarHBondContact O-N 3.34Å; V3058-S3061 PolarHBondContact O-OG 3.45Å; V3058-N3062 PolarHBondContact O-N 3.4Å; V3058-N3062 VanDerWaalsContact O-N 3.13Å; V3058-N3062 PolarHBondContact O-ND2 2.98Å |
| 3059 | D | 72.4 | Confident | 68.8 | Low | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.2 | -39.9 | 178.1 | -82.2 | -7.3 | 0 | 0 | 0 | 112.6 | L3055 Q3056 S3061 N3062 G3063 I3064 V3066 Y3092 | L3055-D3059 PolarHBondContact O-N 2.81Å; Q3056-D3059 PolarHBondContact O-N 2.77Å; D3059-S3061 VanDerWaalsContact C-N 3.3Å; D3059-S3061 PolarHBondContact O-N 3.39Å; D3059-N3062 CarbonylContact O-C 3.51Å; D3059-N3062 WeakPolarHBondContact O-CA 3.45Å; D3059-N3062 PolarHBondContact O-N 2.9Å; D3059-G3063 PolarHBondContact O-N 2.77Å; D3059-I3064 HydrophobicContact CB-CB 4.38Å; D3059-I3064 HydrophobicContact CB-CD1 4.17Å; D3059-I3064 PolarHBondContact O-N 2.81Å; D3059-I3064 VanDerWaalsContact O-N 3.14Å; D3059-V3066 HydrophobicContact CB-CG2 4.46Å; D3059-Y3092 VanDerWaalsContact CG-OH 3.26Å; D3059-Y3092 PolarHBondContact OD2-OH 2.94Å |
| 3060 | I | 72.2 | Confident | 66.9 | Low | 94 Ų | 94 | 71 Ų | 71 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 170.4 | -67.7 | 166.4 | 0 | 0 | 0 | 109.7 | Q3056 N3062 G3063 | Q3056-I3060 HydrophobicContact CG-CD1 3.79Å; Q3056-I3060 HydrophobicContact CG-CG1 4.39Å; Q3056-I3060 WeakPolarHBondContact O-CB 3.22Å; Q3056-I3060 WeakPolarHBondContact O-CG1 3.27Å; Q3056-I3060 PolarHBondContact O-N 3.17Å; I3060-N3062 PolarHBondContact O-N 3.25Å; I3060-N3062 VanDerWaalsContact O-N 3.15Å; I3060-G3063 PolarHBondContact O-N 3.42Å |
| 3061 | S | 63.2 | Low | 65.3 | Low | 71 Ų | 71 | 71.3 Ų | 71.3 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.3 | 176.1 | 85.7 | 0 | 0 | 0 | 0 | 114 | K2959 E3057 V3058 D3059 | K2959-S3061 PolarHBondContact NZ-OG 2.81Å; E3057-S3061 VanDerWaalsContact O-CB 3.32Å; E3057-S3061 WeakPolarHBondContact O-CB 3.25Å; E3057-S3061 PolarHBondContact O-N 3.37Å; V3058-S3061 PolarHBondContact O-N 3.34Å; V3058-S3061 PolarHBondContact O-OG 3.45Å; D3059-S3061 VanDerWaalsContact C-N 3.3Å; D3059-S3061 PolarHBondContact O-N 3.39Å |
| 3062 | N | 62.6 | Low | 63.9 | Low | 66 Ų | 66 | 76.9 Ų | 76.9 | 35% | 0.353 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 4.6 | 176.4 | -65.5 | -22 | 0 | 0 | 0 | 112.7 | I2955 K2959 V3058 D3059 I3060 | I2955-N3062 WeakPolarHBondContact CG2-ND2 3.48Å; K2959-N3062 WeakPolarHBondContact CE-OD1 3.47Å; K2959-N3062 PolarHBondContact NZ-OD1 3.46Å; V3058-N3062 PolarHBondContact O-N 3.4Å; V3058-N3062 VanDerWaalsContact O-N 3.13Å; V3058-N3062 PolarHBondContact O-ND2 2.98Å; D3059-N3062 CarbonylContact O-C 3.51Å; D3059-N3062 WeakPolarHBondContact O-CA 3.45Å; D3059-N3062 PolarHBondContact O-N 2.9Å; I3060-N3062 PolarHBondContact O-N 3.25Å; I3060-N3062 VanDerWaalsContact O-N 3.15Å |
| 3063 | G | 55.7 | Low | 62.7 | Low | 66 Ų | 66 | 78.1 Ų | 78.1 | 68% | 0.68 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 21.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D3059 I3060 | D3059-G3063 PolarHBondContact O-N 2.77Å; I3060-G3063 PolarHBondContact O-N 3.42Å |
| 3064 | I | 58.6 | Low | 62.2 | Low | 66 Ų | 66 | 81 Ų | 81 | 34% | 0.338 | 47% | 0.466 | S | S | . | . | trans | -85.4 | 116 | 172.3 | -58.8 | 174.3 | 0 | 0 | 0 | 108 | D3059 V3066 | D3059-I3064 HydrophobicContact CB-CB 4.38Å; D3059-I3064 HydrophobicContact CB-CD1 4.17Å; D3059-I3064 PolarHBondContact O-N 2.81Å; D3059-I3064 VanDerWaalsContact O-N 3.14Å; I3064-V3066 VanDerWaalsContact C-N 3.28Å; I3064-V3066 HydrophobicContact CG2-CG2 4.23Å; I3064-V3066 PolarHBondContact O-N 3.42Å | ||
| 3065 | D | 53.7 | Low | 62.1 | Low | 162 Ų | 162 | 78.2 Ų | 78.2 | 87% | 0.866 | 46% | 0.456 | S | S | * | . | trans | -65.6 | 86.6 | 172.2 | -83.4 | -19.4 | 0 | 0 | 0 | 109.9 | I3067 | D3065-I3067 PolarHBondContact O-N 2.95Š| ||
| 3066 | V | 55.7 | Low | 62.2 | Low | 30 Ų | 30 | 83 Ų | 83 | 18% | 0.182 | 47% | 0.474 | C | S | . | . | trans | -78.9 | 104.6 | 167.1 | -176.1 | 0 | 0 | 0 | 0 | 106.4 | Q3056 D3059 I3064 S3068 Y3092 | Q3056-V3066 HydrophobicContact CG-CG1 4.3Å; D3059-V3066 HydrophobicContact CB-CG2 4.46Å; I3064-V3066 VanDerWaalsContact C-N 3.28Å; I3064-V3066 HydrophobicContact CG2-CG2 4.23Å; I3064-V3066 PolarHBondContact O-N 3.42Å; V3066-S3068 PolarHBondContact O-N 3.22Å; V3066-Y3092 HydrophobicContact CG1-CD2 4.07Å; V3066-Y3092 HydrophobicContact CG1-CE2 4.45Å; V3066-Y3092 HydrophobicContact CG1-CG 4.22Å; V3066-Y3092 HydrophobicContact CG2-CD2 4.43Å; V3066-Y3092 HydrophobicContact CG2-CE2 4.06Å | ||
| 3067 | I | 52.3 | Low | 62.2 | Low | 148 Ų | 148 | 87.5 Ų | 87.5 | 76% | 0.759 | 50% | 0.495 | S | S | * | . | trans | -51.6 | 109.9 | 172.7 | -60.6 | 170.6 | 0 | 0 | 0 | 107.5 | D3065 T3069 | D3065-I3067 PolarHBondContact O-N 2.95Å; I3067-T3069 PolarHBondContact O-N 3.47Å | ||
| 3068 | S | 47.2 | Very low | 62.4 | Low | 75 Ų | 75 | 81.1 Ų | 81.1 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | trans | -64.3 | 98.4 | 173.9 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | V3066 E3070 | V3066-S3068 PolarHBondContact O-N 3.22Å; S3068-E3070 PolarHBondContact O-N 2.92Å | ||
| 3069 | T | 48.3 | Very low | 63.1 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 55% | 0.546 | 46% | 0.46 | S | S | . | . | trans | -70.9 | 78.2 | 168.1 | 45 | 0 | 0 | 0 | 0 | 108.2 | I3067 A3071 | I3067-T3069 PolarHBondContact O-N 3.47Å; T3069-A3071 PolarHBondContact O-N 3.2Å | ||
| 3070 | E | 43.1 | Very low | 63.7 | Low | 182 Ų | 182 | 81.5 Ų | 81.5 | 85% | 0.85 | 46% | 0.464 | S | S | * | . | trans | -69.4 | 92.9 | 167.3 | -70.6 | -177.4 | 172.8 | 0 | 0 | 108.5 | S3068 | S3068-E3070 PolarHBondContact O-N 2.92Š| ||
| 3071 | A | 51.4 | Low | 64.3 | Low | 59 Ų | 59 | 79.4 Ų | 79.4 | 49% | 0.488 | 46% | 0.458 | S | S | . | . | trans | -149.1 | 102.4 | 162 | 0 | 0 | 0 | 0 | 0 | 108 | T3069 S3073 | T3069-A3071 PolarHBondContact O-N 3.2Å; A3071-S3073 PolarHBondContact O-N 3.04Å | ||
| 3072 | S | 50.4 | Low | 65.5 | Low | 128 Ų | 128 | 76 Ų | 76 | 90% | 0.895 | 44% | 0.435 | S | S | * | . | trans | -58.1 | 80.3 | 160.3 | 43.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3073 | S | 57 | Low | 66.6 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 19% | 0.189 | 42% | 0.419 | C | S | . | . | trans | -87.4 | 129.8 | -175.7 | 56.6 | 0 | 0 | 0 | 0 | 109.1 | A3071 S3078 S3100 | A3071-S3073 PolarHBondContact O-N 3.04Å; S3073-S3078 PolarHBondContact O-OG 2.83Å; S3073-S3078 PolarHBondContact OG-OG 2.88Å; S3073-S3100 WeakPolarHBondContact O-CB 3.22Å | ||
| 3074 | N | 74.3 | Confident | 68 | Low | 129 Ų | 129 | 73.3 Ų | 73.3 | 69% | 0.69 | 41% | 0.414 | S | S | * | . | trans | -52.3 | 145.6 | 170 | -66.1 | -11 | 0 | 0 | 0 | 109.5 | Y3076 Q3077 S3078 | N3074-Y3076 PolarHBondContact O-N 2.77Å; N3074-Y3076 VanDerWaalsContact O-N 3.11Å; N3074-Q3077 WeakPolarHBondContact O-CA 3.35Å; N3074-Q3077 WeakPolarHBondContact O-CB 3.33Å; N3074-Q3077 PolarHBondContact O-N 3.39Å; N3074-S3078 PolarHBondContact O-N 2.86Å; N3074-S3078 VanDerWaalsContact O-N 3.08Å; N3074-S3078 PolarHBondContact O-OG 3.45Å | ||
| 3075 | L | 79.8 | Confident | 69.2 | Low | 34 Ų | 34 | 72.5 Ų | 72.5 | 18% | 0.178 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -47.2 | -46 | -178.1 | -179 | 147.7 | 0 | 0 | 0 | 112.6 | Q3077 S3078 C3079 L3101 | L3075-Q3077 PolarHBondContact O-N 3.37Å; L3075-S3078 PolarHBondContact O-N 2.88Å; L3075-C3079 PolarHBondContact O-N 3.15Å; L3075-C3079 PolarHBondContact O-SG 3.18Å; L3075-L3101 HydrophobicContact CD1-CD2 4.01Å |
| 3076 | Y | 80.2 | Confident | 70.6 | Confident | 113 Ų | 113 | 69 Ų | 69 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 176 | -69.2 | -80 | 0 | 0 | 0 | 113 | L2994 N3074 S3078 C3079 F3080 | L2994-Y3076 HydrophobicContact CD2-CD1 3.52Å; L2994-Y3076 HydrophobicContact CD2-CE1 4.14Å; L2994-Y3076 HydrophobicContact CD2-CG 4.47Å; N3074-Y3076 PolarHBondContact O-N 2.77Å; N3074-Y3076 VanDerWaalsContact O-N 3.11Å; Y3076-S3078 VanDerWaalsContact C-N 3.33Å; Y3076-S3078 PolarHBondContact O-N 3.16Å; Y3076-C3079 WeakPolarHBondContact O-CB 3.41Å; Y3076-C3079 PolarHBondContact O-N 3.27Å; Y3076-F3080 WeakPolarHBondContact O-CD2 2.97Å; Y3076-F3080 PolarHBondContact O-N 3.02Å |
| 3077 | Q | 80.1 | Confident | 71.8 | Confident | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | -180 | -174 | 66.3 | 20.2 | 0 | 0 | 110.9 | N3074 L3075 F3080 S3081 | N3074-Q3077 WeakPolarHBondContact O-CA 3.35Å; N3074-Q3077 WeakPolarHBondContact O-CB 3.33Å; N3074-Q3077 PolarHBondContact O-N 3.39Å; L3075-Q3077 PolarHBondContact O-N 3.37Å; Q3077-F3080 PolarHBondContact O-N 3.44Å; Q3077-S3081 WeakPolarHBondContact O-CB 3.34Å; Q3077-S3081 PolarHBondContact O-N 2.99Å |
| 3078 | S | 80.8 | Confident | 73.3 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 176.3 | -34 | 0 | 0 | 0 | 0 | 111.2 | S3073 N3074 L3075 Y3076 F3080 S3081 I3082 S3100 | S3073-S3078 PolarHBondContact O-OG 2.83Å; S3073-S3078 PolarHBondContact OG-OG 2.88Å; N3074-S3078 PolarHBondContact O-N 2.86Å; N3074-S3078 VanDerWaalsContact O-N 3.08Å; N3074-S3078 PolarHBondContact O-OG 3.45Å; L3075-S3078 PolarHBondContact O-N 2.88Å; Y3076-S3078 VanDerWaalsContact C-N 3.33Å; Y3076-S3078 PolarHBondContact O-N 3.16Å; S3078-F3080 PolarHBondContact O-N 3.14Å; S3078-S3081 WeakPolarHBondContact CA-OG 3.2Å; S3078-S3081 PolarHBondContact O-N 3.31Å; S3078-S3081 PolarHBondContact O-OG 3.38Å; S3078-I3082 WeakPolarHBondContact O-CG1 3.29Å; S3078-I3082 PolarHBondContact O-N 2.87Å; S3078-S3100 WeakPolarHBondContact CB-OG 3.43Å; S3078-S3100 WeakPolarHBondContact OG-CB 3.14Å; S3078-S3100 PolarHBondContact OG-OG 2.87Å |
| 3079 | C | 85.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 174.2 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | A2990 L2994 L3075 Y3076 S3081 I3082 L3083 | A2990-C3079 HydrophobicContact CB-CB 4.09Å; L2994-C3079 HydrophobicContact CD1-CB 3.73Å; L2994-C3079 HydrophobicContact CD2-CB 3.72Å; L2994-C3079 HydrophobicContact CG-CB 3.62Å; L3075-C3079 PolarHBondContact O-N 3.15Å; L3075-C3079 PolarHBondContact O-SG 3.18Å; Y3076-C3079 WeakPolarHBondContact O-CB 3.41Å; Y3076-C3079 PolarHBondContact O-N 3.27Å; C3079-S3081 VanDerWaalsContact C-N 3.32Å; C3079-S3081 PolarHBondContact O-N 3.43Å; C3079-I3082 PolarHBondContact O-N 3.43Å; C3079-L3083 WeakPolarHBondContact O-CG 3.33Å; C3079-L3083 PolarHBondContact O-N 3.36Å |
| 3080 | F | 85.5 | Confident | 76.3 | Confident | 50 Ų | 50 | 69 Ų | 69 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 176.1 | -71 | -56.6 | 0 | 0 | 0 | 112.7 | L2994 Y3076 Q3077 S3078 I3082 L3083 A3084 L3120 L3125 A3128 | L2994-F3080 HydrophobicContact CD1-CD1 4.28Å; L2994-F3080 HydrophobicContact CD1-CE1 3.95Å; L2994-F3080 HydrophobicContact CD1-CZ 4.29Å; L2994-F3080 HydrophobicContact CD2-CE1 4.37Å; L2994-F3080 HydrophobicContact CD2-CE2 4.12Å; L2994-F3080 HydrophobicContact CD2-CZ 3.89Å; Y3076-F3080 WeakPolarHBondContact O-CD2 2.97Å; Y3076-F3080 PolarHBondContact O-N 3.02Å; Q3077-F3080 PolarHBondContact O-N 3.44Å; S3078-F3080 PolarHBondContact O-N 3.14Å; F3080-I3082 VanDerWaalsContact C-N 3.35Å; F3080-I3082 PolarHBondContact O-N 3.16Å; F3080-L3083 HydrophobicContact CD1-CD1 4.45Å; F3080-L3083 PolarHBondContact O-N 3.25Å; F3080-A3084 WeakPolarHBondContact O-CB 3.41Å; F3080-A3084 PolarHBondContact O-N 3.4Å; F3080-L3120 HydrophobicContact CE2-CD2 3.82Å; F3080-L3120 HydrophobicContact CZ-CD2 3.45Å; F3080-L3120 VanDerWaalsContact CZ-CD2 3.45Å; F3080-L3125 HydrophobicContact CE1-CD1 4.18Å; F3080-L3125 HydrophobicContact CZ-CD1 3.93Å; F3080-A3128 HydrophobicContact CD1-CB 4.09Å; F3080-A3128 HydrophobicContact CE1-CB 3.68Å |
| 3081 | S | 84.9 | Confident | 78.1 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.5 | 75.5 | 0 | 0 | 0 | 0 | 112.1 | Q3077 S3078 C3079 A3084 L3085 | Q3077-S3081 WeakPolarHBondContact O-CB 3.34Å; Q3077-S3081 PolarHBondContact O-N 2.99Å; S3078-S3081 WeakPolarHBondContact CA-OG 3.2Å; S3078-S3081 PolarHBondContact O-N 3.31Å; S3078-S3081 PolarHBondContact O-OG 3.38Å; C3079-S3081 VanDerWaalsContact C-N 3.32Å; C3079-S3081 PolarHBondContact O-N 3.43Å; S3081-A3084 PolarHBondContact O-N 3.01Å; S3081-L3085 WeakPolarHBondContact O-CG 3.31Å; S3081-L3085 PolarHBondContact O-N 3.11Å |
| 3082 | I | 88.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 176 | -68.7 | -59.7 | 0 | 0 | 0 | 111.7 | I2983 C2986 K2987 A2990 S3078 C3079 F3080 A3084 L3085 L3094 F3097 | I2983-I3082 HydrophobicContact CD1-CG2 4.03Å; C2986-I3082 HydrophobicContact CB-CG2 4.04Å; K2987-I3082 WeakPolarHBondContact CE-O 3.25Å; K2987-I3082 HydrophobicContact CG-CG2 3.84Å; A2990-I3082 HydrophobicContact CB-CG2 4.38Å; S3078-I3082 WeakPolarHBondContact O-CG1 3.29Å; S3078-I3082 PolarHBondContact O-N 2.87Å; C3079-I3082 PolarHBondContact O-N 3.43Å; F3080-I3082 VanDerWaalsContact C-N 3.35Å; F3080-I3082 PolarHBondContact O-N 3.16Å; I3082-A3084 PolarHBondContact O-N 3.16Å; I3082-L3085 HydrophobicContact CD1-CD1 3.87Å; I3082-L3085 PolarHBondContact O-N 3.12Å; I3082-L3094 HydrophobicContact CD1-CD2 3.76Å; I3082-F3097 HydrophobicContact CD1-CB 3.79Å; I3082-F3097 HydrophobicContact CD1-CG 4.19Å; I3082-F3097 HydrophobicContact CG1-CB 3.53Å; I3082-F3097 HydrophobicContact CG1-CD1 4.19Å; I3082-F3097 HydrophobicContact CG1-CD2 3.75Å; I3082-F3097 HydrophobicContact CG1-CE2 4.49Å; I3082-F3097 HydrophobicContact CG1-CG 3.56Å |
| 3083 | L | 86 | Confident | 81 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -29.2 | 176.8 | -71.3 | -177.4 | 0 | 0 | 0 | 113 | R2915 K2987 A2990 L2994 C3079 F3080 I3129 S3132 | R2915-L3083 VanDerWaalsContact NH2-CD2 3.32Å; K2987-L3083 HydrophobicContact CB-CD2 4.35Å; K2987-L3083 HydrophobicContact CG-CD2 4.45Å; A2990-L3083 HydrophobicContact CB-CD2 4.47Å; A2990-L3083 HydrophobicContact CB-CG 4.49Å; L2994-L3083 HydrophobicContact CD1-CD1 3.39Å; L2994-L3083 HydrophobicContact CD1-CG 4.43Å; C3079-L3083 WeakPolarHBondContact O-CG 3.33Å; C3079-L3083 PolarHBondContact O-N 3.36Å; F3080-L3083 HydrophobicContact CD1-CD1 4.45Å; F3080-L3083 PolarHBondContact O-N 3.25Å; L3083-I3129 HydrophobicContact CD1-CG1 4.47Å; L3083-S3132 PolarHBondContact O-OG 3.12Å |
| 3084 | A | 85.5 | Confident | 82.2 | Confident | 68 Ų | 68 | 54.3 Ų | 54.3 | 56% | 0.562 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -83.3 | -13.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | F3080 S3081 I3082 D3086 | F3080-A3084 WeakPolarHBondContact O-CB 3.41Å; F3080-A3084 PolarHBondContact O-N 3.4Å; S3081-A3084 PolarHBondContact O-N 3.01Å; I3082-A3084 PolarHBondContact O-N 3.16Å; A3084-D3086 PolarHBondContact O-N 3.14Å |
| 3085 | L | 84.3 | Confident | 82.6 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | trans | -72.8 | 119 | 176.3 | -75 | 171.5 | 0 | 0 | 0 | 110.4 | I2983 K2987 S3081 I3082 | I2983-L3085 HydrophobicContact CD1-CB 4.23Å; I2983-L3085 HydrophobicContact CD1-CD1 4.17Å; K2987-L3085 WeakPolarHBondContact CE-O 3.33Å; K2987-L3085 PolarHBondContact NZ-O 3.41Å; S3081-L3085 WeakPolarHBondContact O-CG 3.31Å; S3081-L3085 PolarHBondContact O-N 3.11Å; I3082-L3085 HydrophobicContact CD1-CD1 3.87Å; I3082-L3085 PolarHBondContact O-N 3.12Å | ||
| 3086 | D | 82.2 | Confident | 82.7 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -72.7 | -56.1 | 175.8 | -164.9 | -30.6 | 0 | 0 | 0 | 110.9 | A3084 Q3135 | A3084-D3086 PolarHBondContact O-N 3.14Å; D3086-Q3135 PolarHBondContact OD2-NE2 3.36Å; D3086-Q3135 VanDerWaalsContact OD2-NE2 3.16Å |
| 3087 | K | 81.3 | Confident | 82.9 | Confident | 133 Ų | 133 | 43.9 Ų | 43.9 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | trans | -130.3 | 142.2 | -178.9 | -64.7 | 179.9 | -176.9 | 174.5 | 0 | 111.6 | V3089 | K3087-V3089 PolarHBondContact O-N 3.44Š| ||
| 3088 | L | 83.3 | Confident | 83.1 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | trans | -87.9 | 96.2 | 173.7 | -172.5 | 74 | 0 | 0 | 0 | 109.9 | M2979 I2983 N3090 L3094 | M2979-L3088 HydrophobicContact CB-CB 4.22Å; M2979-L3088 HydrophobicContact CB-CD2 4.27Å; M2979-L3088 WeakPolarHBondContact CB-O 3.44Å; M2979-L3088 HydrophobicContact SD-CD2 3.8Å; M2979-L3088 HydrophobicContact SD-CG 4.31Å; I2983-L3088 HydrophobicContact CB-CB 4.01Å; I2983-L3088 HydrophobicContact CG2-CB 4.29Å; L3088-N3090 WeakPolarHBondContact CD1-O 3.39Å; L3088-L3094 HydrophobicContact CD1-CD1 4.37Å; L3088-L3094 HydrophobicContact CD1-CD2 3.86Å; L3088-L3094 HydrophobicContact CD1-CG 3.8Å; L3088-L3094 HydrophobicContact CD2-CD1 3.86Å; L3088-L3094 HydrophobicContact CD2-CG 4.22Å | ||
| 3089 | V | 78.6 | Confident | 83.2 | Confident | 126 Ų | 126 | 40.3 Ų | 40.3 | 76% | 0.764 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -83.2 | -35.2 | 174.1 | -176 | 0 | 0 | 0 | 0 | 110.9 | K3087 | K3087-V3089 PolarHBondContact O-N 3.44Š|
| 3090 | N | 80.1 | Confident | 82.8 | Confident | 74 Ų | 74 | 40.7 Ų | 40.7 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | trans | -128.6 | 129.1 | -177.4 | -168.5 | -14.9 | 0 | 0 | 0 | 110.4 | L3088 Y3092 S3093 | L3088-N3090 WeakPolarHBondContact CD1-O 3.39Å; N3090-Y3092 PolarHBondContact O-N 3.42Å; N3090-Y3092 WeakPolarHBondContact OD1-CD2 3.43Å; N3090-Y3092 PolarHBondContact OD1-N 2.78Å; N3090-Y3092 VanDerWaalsContact OD1-N 3.1Å; N3090-S3093 WeakPolarHBondContact O-CB 3.38Å; N3090-S3093 PolarHBondContact O-N 3.4Å; N3090-S3093 PolarHBondContact O-OG 3.22Å | ||
| 3091 | I | 82 | Confident | 82.5 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -64.4 | -27 | 179.9 | -160.4 | 151.3 | 0 | 0 | 0 | 112.5 | L2944 I2948 L2974 M2979 L3055 S3093 L3094 | L2944-I3091 HydrophobicContact CD1-CD1 3.76Å; I2948-I3091 HydrophobicContact CD1-CD1 3.88Å; I2948-I3091 HydrophobicContact CD1-CG1 4.5Å; I2948-I3091 HydrophobicContact CG1-CD1 3.7Å; L2974-I3091 HydrophobicContact CD1-CD1 3.51Å; M2979-I3091 HydrophobicContact CE-CB 4.47Å; L3055-I3091 HydrophobicContact CD2-CG2 3.7Å; I3091-S3093 PolarHBondContact O-N 3.33Å; I3091-L3094 WeakPolarHBondContact O-CB 3.24Å; I3091-L3094 PolarHBondContact O-N 3.03Å |
| 3092 | Y | 80.9 | Confident | 82 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -62.5 | -22.2 | 176.8 | -61.7 | -57.8 | 0 | 0 | 0 | 113 | I3052 L3055 Q3056 D3059 V3066 N3090 L3094 K3095 | I3052-Y3092 HydrophobicContact CG2-CD1 4.16Å; L3055-Y3092 HydrophobicContact CD2-CE1 3.72Å; L3055-Y3092 HydrophobicContact CD2-CE2 4.47Å; L3055-Y3092 VanDerWaalsContact CD2-OH 3.23Å; L3055-Y3092 WeakPolarHBondContact CD2-OH 3.37Å; L3055-Y3092 HydrophobicContact CG-CE1 4.38Å; L3055-Y3092 WeakPolarHBondContact CG-OH 3.36Å; L3055-Y3092 PolarHBondContact O-OH 3.43Å; Q3056-Y3092 HydrophobicContact CB-CD1 4.31Å; Q3056-Y3092 HydrophobicContact CB-CE1 3.67Å; Q3056-Y3092 HydrophobicContact CG-CE1 4.17Å; D3059-Y3092 VanDerWaalsContact CG-OH 3.26Å; D3059-Y3092 PolarHBondContact OD2-OH 2.94Å; V3066-Y3092 HydrophobicContact CG1-CD2 4.07Å; V3066-Y3092 HydrophobicContact CG1-CE2 4.45Å; V3066-Y3092 HydrophobicContact CG1-CG 4.22Å; V3066-Y3092 HydrophobicContact CG2-CD2 4.43Å; V3066-Y3092 HydrophobicContact CG2-CE2 4.06Å; N3090-Y3092 PolarHBondContact O-N 3.42Å; N3090-Y3092 WeakPolarHBondContact OD1-CD2 3.43Å; N3090-Y3092 PolarHBondContact OD1-N 2.78Å; N3090-Y3092 VanDerWaalsContact OD1-N 3.1Å; Y3092-L3094 PolarHBondContact O-N 3.41Å; Y3092-L3094 VanDerWaalsContact O-N 3.16Å; Y3092-K3095 WeakPolarHBondContact O-CB 3.13Å; Y3092-K3095 PolarHBondContact O-N 3.29Å |
| 3093 | S | 81 | Confident | 81.1 | Confident | 53 Ų | 53 | 42.9 Ų | 42.9 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -63.2 | -18.7 | 174.5 | -56 | 0 | 0 | 0 | 0 | 113.3 | N3090 I3091 | N3090-S3093 WeakPolarHBondContact O-CB 3.38Å; N3090-S3093 PolarHBondContact O-N 3.4Å; N3090-S3093 PolarHBondContact O-OG 3.22Å; I3091-S3093 PolarHBondContact O-N 3.33Å |
| 3094 | L | 83.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -84.3 | -16.1 | 174.6 | -57 | 179.6 | 0 | 0 | 0 | 112.9 | I2983 C2986 I3082 L3088 I3091 Y3092 F3097 F3098 | I2983-L3094 HydrophobicContact CD1-CD2 3.94Å; C2986-L3094 HydrophobicContact CB-CD2 4.35Å; I3082-L3094 HydrophobicContact CD1-CD2 3.76Å; L3088-L3094 HydrophobicContact CD1-CD1 4.37Å; L3088-L3094 HydrophobicContact CD1-CD2 3.86Å; L3088-L3094 HydrophobicContact CD1-CG 3.8Å; L3088-L3094 HydrophobicContact CD2-CD1 3.86Å; L3088-L3094 HydrophobicContact CD2-CG 4.22Å; I3091-L3094 WeakPolarHBondContact O-CB 3.24Å; I3091-L3094 PolarHBondContact O-N 3.03Å; Y3092-L3094 PolarHBondContact O-N 3.41Å; Y3092-L3094 VanDerWaalsContact O-N 3.16Å; L3094-F3097 WeakPolarHBondContact O-CB 3.29Å; L3094-F3097 PolarHBondContact O-N 2.91Å; L3094-F3098 HydrophobicContact CB-CD2 3.9Å; L3094-F3098 HydrophobicContact CB-CE2 3.57Å; L3094-F3098 HydrophobicContact CD1-CE2 4.1Å; L3094-F3098 HydrophobicContact CG-CE2 4.43Å; L3094-F3098 WeakPolarHBondContact O-CD2 3.43Å; L3094-F3098 PolarHBondContact O-N 3.3Å; L3094-F3098 VanDerWaalsContact O-N 3.1Å |
| 3095 | K | 81.7 | Confident | 78.1 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 15% | 0.148 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.1 | -49.3 | -175 | -164.9 | -167 | -171 | -144.5 | 0 | 112.7 | L3049 I3052 Y3092 F3097 F3098 E3099 | L3049-K3095 HydrophobicContact CD1-CG 4.09Å; I3052-K3095 HydrophobicContact CG2-CB 4.05Å; I3052-K3095 HydrophobicContact CG2-CD 4.4Å; I3052-K3095 HydrophobicContact CG2-CG 3.98Å; Y3092-K3095 WeakPolarHBondContact O-CB 3.13Å; Y3092-K3095 PolarHBondContact O-N 3.29Å; K3095-F3097 PolarHBondContact O-N 2.8Å; K3095-F3097 VanDerWaalsContact O-N 3.14Å; K3095-F3098 PolarHBondContact O-N 3.36Å; K3095-F3098 VanDerWaalsContact O-N 3.11Å; K3095-E3099 WeakPolarHBondContact CD-OE1 3.46Å; K3095-E3099 WeakPolarHBondContact CE-OE1 3.39Å; K3095-E3099 HydrophobicContact CG-CG 4.16Å; K3095-E3099 IonicContact NZ-OE1 3.97Å; K3095-E3099 PolarHBondContact NZ-OE1 2.94Å; K3095-E3099 WeakPolarHBondContact O-CB 3.49Å; K3095-E3099 WeakPolarHBondContact O-CG 3.32Å; K3095-E3099 PolarHBondContact O-N 3.25Å |
| 3096 | P | 80.8 | Confident | 75.8 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -28.8 | -179.3 | -22.4 | 34.6 | 0 | 0 | 0 | 113.2 | S3100 | P3096-S3100 WeakPolarHBondContact O-CB 3.46Å; P3096-S3100 PolarHBondContact O-N 3.46Å; P3096-S3100 VanDerWaalsContact O-N 3.1Å; P3096-S3100 PolarHBondContact O-OG 3.28Å |
| 3097 | F | 85 | Confident | 73.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.2 | -47.3 | 175.1 | 173.4 | -110.2 | 0 | 0 | 0 | 112 | C2986 L2989 A2990 I3082 L3094 K3095 S3100 L3101 | C2986-F3097 HydrophobicContact CB-CD1 4.42Å; C2986-F3097 HydrophobicContact CB-CE1 4.05Å; L2989-F3097 HydrophobicContact CB-CZ 4.4Å; L2989-F3097 HydrophobicContact CD2-CE1 4.07Å; L2989-F3097 HydrophobicContact CD2-CZ 3.96Å; L2989-F3097 HydrophobicContact CG-CZ 4.15Å; A2990-F3097 HydrophobicContact CB-CE2 3.93Å; A2990-F3097 HydrophobicContact CB-CZ 4.14Å; I3082-F3097 HydrophobicContact CD1-CB 3.79Å; I3082-F3097 HydrophobicContact CD1-CG 4.19Å; I3082-F3097 HydrophobicContact CG1-CB 3.53Å; I3082-F3097 HydrophobicContact CG1-CD1 4.19Å; I3082-F3097 HydrophobicContact CG1-CD2 3.75Å; I3082-F3097 HydrophobicContact CG1-CE2 4.49Å; I3082-F3097 HydrophobicContact CG1-CG 3.56Å; L3094-F3097 WeakPolarHBondContact O-CB 3.29Å; L3094-F3097 PolarHBondContact O-N 2.91Å; K3095-F3097 PolarHBondContact O-N 2.8Å; K3095-F3097 VanDerWaalsContact O-N 3.14Å; F3097-S3100 PolarHBondContact O-N 2.96Å; F3097-S3100 PolarHBondContact O-OG 3.49Å; F3097-S3100 VanDerWaalsContact O-OG 3.06Å; F3097-L3101 HydrophobicContact CD1-CD1 4.11Å; F3097-L3101 HydrophobicContact CE1-CD1 3.68Å; F3097-L3101 HydrophobicContact CE2-CD1 4.14Å; F3097-L3101 HydrophobicContact CE2-CG 4.43Å; F3097-L3101 HydrophobicContact CZ-CD1 3.71Å; F3097-L3101 HydrophobicContact CZ-CG 4.47Å; F3097-L3101 VanDerWaalsContact O-CG 3.28Å; F3097-L3101 WeakPolarHBondContact O-CG 3.24Å; F3097-L3101 PolarHBondContact O-N 2.76Å; F3097-L3101 VanDerWaalsContact O-N 3.13Å |
| 3098 | F | 84.2 | Confident | 71.5 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | 176.6 | -66.2 | -60.4 | 0 | 0 | 0 | 112.6 | F2941 L2944 L3045 V3048 L3049 I3052 L3094 K3095 L3101 H3102 | F2941-F3098 HydrophobicContact CD1-CE1 4.47Å; F2941-F3098 HydrophobicContact CD1-CZ 4.39Å; F2941-F3098 HydrophobicContact CE1-CE1 4.01Å; F2941-F3098 AromaticContact CE1-CZ 3.98Å; F2941-F3098 HydrophobicContact CE1-CZ 3.98Å; L2944-F3098 HydrophobicContact CD2-CE2 4.31Å; L2944-F3098 HydrophobicContact CD2-CZ 4.09Å; L3045-F3098 HydrophobicContact CB-CD1 4.29Å; L3045-F3098 HydrophobicContact CD1-CD1 4.29Å; L3045-F3098 HydrophobicContact CD1-CE1 4.23Å; L3045-F3098 HydrophobicContact CD2-CD1 4.46Å; L3045-F3098 HydrophobicContact CD2-CE1 3.95Å; L3045-F3098 HydrophobicContact CG-CE1 4.5Å; V3048-F3098 HydrophobicContact CG1-CD2 4.39Å; V3048-F3098 HydrophobicContact CG1-CE1 4.46Å; V3048-F3098 HydrophobicContact CG1-CE2 3.99Å; V3048-F3098 HydrophobicContact CG1-CZ 4.05Å; L3049-F3098 HydrophobicContact CB-CB 4.22Å; L3049-F3098 HydrophobicContact CD1-CB 4.1Å; I3052-F3098 HydrophobicContact CD1-CD2 3.58Å; I3052-F3098 HydrophobicContact CD1-CE2 3.84Å; L3094-F3098 HydrophobicContact CB-CD2 3.9Å; L3094-F3098 HydrophobicContact CB-CE2 3.57Å; L3094-F3098 HydrophobicContact CD1-CE2 4.1Å; L3094-F3098 HydrophobicContact CG-CE2 4.43Å; L3094-F3098 WeakPolarHBondContact O-CD2 3.43Å; L3094-F3098 PolarHBondContact O-N 3.3Å; L3094-F3098 VanDerWaalsContact O-N 3.1Å; K3095-F3098 PolarHBondContact O-N 3.36Å; K3095-F3098 VanDerWaalsContact O-N 3.11Å; F3098-L3101 HydrophobicContact CD1-CD1 4.23Å; F3098-L3101 PolarHBondContact O-N 3.07Å; F3098-H3102 PolarHBondContact O-N 2.93Å |
| 3099 | E | 82.4 | Confident | 69.4 | Low | 43 Ų | 43 | 53.1 Ų | 53.1 | 20% | 0.201 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 172.7 | -76.2 | 177.7 | 176.3 | 0 | 0 | 111.2 | L3049 K3095 L3101 H3102 N3103 | L3049-E3099 HydrophobicContact CD1-CG 3.77Å; L3049-E3099 HydrophobicContact CD2-CG 4.29Å; K3095-E3099 WeakPolarHBondContact CD-OE1 3.46Å; K3095-E3099 WeakPolarHBondContact CE-OE1 3.39Å; K3095-E3099 HydrophobicContact CG-CG 4.16Å; K3095-E3099 IonicContact NZ-OE1 3.97Å; K3095-E3099 PolarHBondContact NZ-OE1 2.94Å; K3095-E3099 WeakPolarHBondContact O-CB 3.49Å; K3095-E3099 WeakPolarHBondContact O-CG 3.32Å; K3095-E3099 PolarHBondContact O-N 3.25Å; E3099-L3101 VanDerWaalsContact C-N 3.34Å; E3099-L3101 PolarHBondContact O-N 3.46Å; E3099-H3102 PolarHBondContact O-N 3.19Å; E3099-N3103 WeakPolarHBondContact O-CB 3.28Å; E3099-N3103 PolarHBondContact O-N 3.41Å; E3099-N3103 PolarHBondContact O-ND2 3.41Å |
| 3100 | S | 78.3 | Confident | 67.3 | Low | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.1 | -29.6 | 179.1 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | S3073 S3078 P3096 F3097 S3104 | S3073-S3100 WeakPolarHBondContact O-CB 3.22Å; S3078-S3100 WeakPolarHBondContact CB-OG 3.43Å; S3078-S3100 WeakPolarHBondContact OG-CB 3.14Å; S3078-S3100 PolarHBondContact OG-OG 2.87Å; P3096-S3100 WeakPolarHBondContact O-CB 3.46Å; P3096-S3100 PolarHBondContact O-N 3.46Å; P3096-S3100 VanDerWaalsContact O-N 3.1Å; P3096-S3100 PolarHBondContact O-OG 3.28Å; F3097-S3100 PolarHBondContact O-N 2.96Å; F3097-S3100 PolarHBondContact O-OG 3.49Å; F3097-S3100 VanDerWaalsContact O-OG 3.06Å; S3100-S3104 WeakPolarHBondContact O-CB 3.17Å; S3100-S3104 PolarHBondContact O-N 2.89Å |
| 3101 | L | 79.2 | Confident | 64.9 | Low | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.1 | -35.1 | 170.7 | -65.4 | 172.6 | 0 | 0 | 0 | 112.3 | L2989 L2993 V3011 L3045 L3075 F3097 F3098 E3099 | L2989-L3101 HydrophobicContact CD2-CD1 3.95Å; L2993-L3101 HydrophobicContact CD1-CD2 3.37Å; V3011-L3101 HydrophobicContact CG2-CD2 3.95Å; L3045-L3101 HydrophobicContact CD1-CD1 3.71Å; L3075-L3101 HydrophobicContact CD1-CD2 4.01Å; F3097-L3101 HydrophobicContact CD1-CD1 4.11Å; F3097-L3101 HydrophobicContact CE1-CD1 3.68Å; F3097-L3101 HydrophobicContact CE2-CD1 4.14Å; F3097-L3101 HydrophobicContact CE2-CG 4.43Å; F3097-L3101 HydrophobicContact CZ-CD1 3.71Å; F3097-L3101 HydrophobicContact CZ-CG 4.47Å; F3097-L3101 VanDerWaalsContact O-CG 3.28Å; F3097-L3101 WeakPolarHBondContact O-CG 3.24Å; F3097-L3101 PolarHBondContact O-N 2.76Å; F3097-L3101 VanDerWaalsContact O-N 3.13Å; F3098-L3101 HydrophobicContact CD1-CD1 4.23Å; F3098-L3101 PolarHBondContact O-N 3.07Å; E3099-L3101 VanDerWaalsContact C-N 3.34Å; E3099-L3101 PolarHBondContact O-N 3.46Å |
| 3102 | H | 74.3 | Confident | 62.5 | Low | 59 Ų | 59 | 65.9 Ų | 65.9 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -75.4 | -39.6 | 175.4 | -167.9 | 82.8 | 0 | 0 | 0 | 112.1 | S3046 L3049 F3098 E3099 | S3046-H3102 PolarHBondContact OG-ND1 3.46Å; S3046-H3102 VanDerWaalsContact OG-ND1 3.13Å; L3049-H3102 HydrophobicContact CD2-CB 3.85Å; F3098-H3102 PolarHBondContact O-N 2.93Å; E3099-H3102 PolarHBondContact O-N 3.19Å |
| 3103 | N | 69 | Low | 60.2 | Low | 86 Ų | 86 | 66.1 Ų | 66.1 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | trans | -93.9 | 9 | -173.8 | -64.2 | -22.1 | 0 | 0 | 0 | 114.2 | E3099 S3105 | E3099-N3103 WeakPolarHBondContact O-CB 3.28Å; E3099-N3103 PolarHBondContact O-N 3.41Å; E3099-N3103 PolarHBondContact O-ND2 3.41Å; N3103-S3105 PolarHBondContact O-N 3.34Å; N3103-S3105 PolarHBondContact O-OG 3.31Å; N3103-S3105 VanDerWaalsContact O-OG 3.08Å | ||
| 3104 | S | 58.3 | Low | 57.9 | Low | 28 Ų | 28 | 72.6 Ų | 72.6 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -60.9 | 1.6 | 179.8 | 90.4 | 0 | 0 | 0 | 0 | 114.1 | S3100 N3106 | S3100-S3104 WeakPolarHBondContact O-CB 3.17Å; S3100-S3104 PolarHBondContact O-N 2.89Å; S3104-N3106 PolarHBondContact O-N 3.41Å |
| 3105 | S | 49.1 | Very low | 55.8 | Low | 59 Ų | 59 | 79.2 Ų | 79.2 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -48.5 | -20.1 | 167.1 | 56.9 | 0 | 0 | 0 | 0 | 116.7 | N3103 I3107 | N3103-S3105 PolarHBondContact O-N 3.34Å; N3103-S3105 PolarHBondContact O-OG 3.31Å; N3103-S3105 VanDerWaalsContact O-OG 3.08Å; S3105-I3107 PolarHBondContact O-N 2.77Å |
| 3106 | N | 36.6 | Very low | 53.5 | Low | 138 Ų | 138 | 83.4 Ų | 83.4 | 74% | 0.738 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -89.5 | 13.5 | -174.1 | -83.7 | 2.5 | 0 | 0 | 0 | 115.6 | S3104 D3108 | S3104-N3106 PolarHBondContact O-N 3.41Å; N3106-D3108 PolarHBondContact O-N 3Å |
| 3107 | I | 40.4 | Very low | 51.7 | Low | 115 Ų | 115 | 88 Ų | 88 | 59% | 0.59 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -80.1 | 84.6 | 165.5 | -54.7 | 179.2 | 0 | 0 | 0 | 107.3 | S3105 S3109 | S3105-I3107 PolarHBondContact O-N 2.77Å; I3107-S3109 PolarHBondContact O-N 2.81Å; I3107-S3109 VanDerWaalsContact O-N 3.13Å |
| 3108 | D | 34.2 | Very low | 49.7 | Very low | 118 Ų | 118 | 93.2 Ų | 93.2 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | trans | -38.4 | 113.7 | 177.6 | -75 | -40.9 | 0 | 0 | 0 | 112.4 | N3106 S3110 R3111 | N3106-D3108 PolarHBondContact O-N 3Å; D3108-S3110 PolarHBondContact O-N 3.05Å; D3108-R3111 PolarHBondContact O-N 3.49Å | ||
| 3109 | S | 37.5 | Very low | 47.9 | Very low | 110 Ų | 110 | 99 Ų | 99 | 77% | 0.769 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 8.9 | 170 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | I3107 | I3107-S3109 PolarHBondContact O-N 2.81Å; I3107-S3109 VanDerWaalsContact O-N 3.13Å |
| 3110 | S | 35.2 | Very low | 46.6 | Very low | 104 Ų | 104 | 100.4 Ų | 100.4 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 7.7 | 176.8 | 67.5 | 0 | 0 | 0 | 0 | 115 | D3108 | D3108-S3110 PolarHBondContact O-N 3.05Š|
| 3111 | R | 28.9 | Very low | 45.9 | Very low | 197 Ų | 197 | 105 Ų | 105 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | trans | -123.6 | 103.5 | 169.4 | -114.2 | 176.9 | 177.6 | 172.7 | -2.6 | 110.2 | D3108 S3113 | D3108-R3111 PolarHBondContact O-N 3.49Å; R3111-S3113 PolarHBondContact O-N 2.86Å | ||
| 3112 | N | 32.5 | Very low | 45.6 | Very low | 179 Ų | 179 | 107 Ų | 107 | 96% | 0.957 | 58% | 0.578 | S | S | * | * | trans | -62 | 39.7 | 162.9 | -85.2 | -21.2 | 0 | 0 | 0 | 112.6 | ||||
| 3113 | S | 32.7 | Very low | 45.8 | Very low | 29 Ų | 29 | 110.9 Ų | 110.9 | 20% | 0.203 | 59% | 0.594 | C | S | . | * | trans | -120.8 | 52.3 | 177.6 | 69 | 0 | 0 | 0 | 0 | 109.3 | R3111 N3115 D3116 | R3111-S3113 PolarHBondContact O-N 2.86Å; S3113-N3115 PolarHBondContact O-N 3.1Å; S3113-N3115 VanDerWaalsContact O-N 3.09Å; S3113-D3116 PolarHBondContact O-N 3.08Å; S3113-D3116 VanDerWaalsContact O-N 3.14Å | ||
| 3114 | F | 33.3 | Very low | 46.3 | Very low | 189 Ų | 189 | 110.9 Ų | 110.9 | 83% | 0.829 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -5.2 | 161.5 | -102.7 | -85.3 | 0 | 0 | 0 | 112.3 | ||
| 3115 | N | 37.4 | Very low | 47.5 | Very low | 138 Ų | 138 | 110.3 Ų | 110.3 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -3.7 | 172.8 | -71.2 | -10.8 | 0 | 0 | 0 | 115.2 | S3113 | S3113-N3115 PolarHBondContact O-N 3.1Å; S3113-N3115 VanDerWaalsContact O-N 3.09Å |
| 3116 | D | 35 | Very low | 49.2 | Very low | 123 Ų | 123 | 110.9 Ų | 110.9 | 66% | 0.658 | 59% | 0.585 | S | S | * | * | trans | -123.5 | 16.2 | -172.3 | -51.7 | -42 | 0 | 0 | 0 | 116.3 | S3113 P3118 | S3113-D3116 PolarHBondContact O-N 3.08Å; S3113-D3116 VanDerWaalsContact O-N 3.14Å; D3116-P3118 WeakPolarHBondContact O-CD 3.19Å | ||
| 3117 | I | 41.6 | Very low | 51.5 | Low | 120 Ų | 120 | 108.4 Ų | 108.4 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -71 | 110.1 | 144.1 | -58.5 | 173.3 | 0 | 0 | 0 | 102.1 | I3119 | I3117-I3119 PolarHBondContact O-N 2.76Š|
| 3118 | P | 43.4 | Very low | 53.6 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | trans | -54.9 | 113.1 | -168.9 | 24.8 | -31.1 | 0 | 0 | 0 | 104.2 | D3116 L3120 | D3116-P3118 WeakPolarHBondContact O-CD 3.19Å; P3118-L3120 VanDerWaalsContact C-N 3.31Å; P3118-L3120 PolarHBondContact O-N 3.28Å | ||
| 3119 | I | 47.3 | Very low | 56.1 | Low | 126 Ų | 126 | 98.9 Ų | 98.9 | 65% | 0.646 | 53% | 0.526 | S | S | * | . | trans | -25.9 | 102.7 | 179.7 | -64.7 | 157.5 | 0 | 0 | 0 | 104.6 | I3117 D3121 | I3117-I3119 PolarHBondContact O-N 2.76Å; I3119-D3121 VanDerWaalsContact O-CA 3.22Å; I3119-D3121 WeakPolarHBondContact O-CA 3.31Å; I3119-D3121 PolarHBondContact O-N 3.37Å | ||
| 3120 | L | 54.3 | Low | 58.5 | Low | 73 Ų | 73 | 95.7 Ų | 95.7 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | trans | -50.1 | 107.6 | 175.1 | 169.5 | 74.8 | 0 | 0 | 0 | 101.9 | F3080 P3118 S3122 L3125 | F3080-L3120 HydrophobicContact CE2-CD2 3.82Å; F3080-L3120 HydrophobicContact CZ-CD2 3.45Å; F3080-L3120 VanDerWaalsContact CZ-CD2 3.45Å; P3118-L3120 VanDerWaalsContact C-N 3.31Å; P3118-L3120 PolarHBondContact O-N 3.28Å; L3120-S3122 PolarHBondContact O-N 3.14Å; L3120-L3125 HydrophobicContact CD2-CB 3.91Å; L3120-L3125 HydrophobicContact CD2-CD1 4.05Å; L3120-L3125 HydrophobicContact CD2-CG 4.49Å; L3120-L3125 HydrophobicContact CG-CB 4.38Å | ||
| 3121 | D | 63.3 | Low | 61 | Low | 102 Ų | 102 | 93.7 Ų | 93.7 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | trans | -41.9 | 119.7 | -156 | -87 | -44.3 | 0 | 0 | 0 | 105.9 | I3119 F3123 L3124 L3125 | I3119-D3121 VanDerWaalsContact O-CA 3.22Å; I3119-D3121 WeakPolarHBondContact O-CA 3.31Å; I3119-D3121 PolarHBondContact O-N 3.37Å; D3121-F3123 HydrophobicContact CB-CB 4.43Å; D3121-F3123 CarbonylContact O-C 3.32Å; D3121-F3123 WeakPolarHBondContact O-CA 3.14Å; D3121-F3123 PolarHBondContact O-N 2.97Å; D3121-L3124 HydrophobicContact CB-CB 4.14Å; D3121-L3124 HydrophobicContact CB-CD1 4.09Å; D3121-L3124 HydrophobicContact CB-CG 3.95Å; D3121-L3124 WeakPolarHBondContact O-CA 3.19Å; D3121-L3124 WeakPolarHBondContact O-CB 3.27Å; D3121-L3124 PolarHBondContact O-N 3.43Å; D3121-L3125 PolarHBondContact O-N 3.02Å; D3121-L3125 VanDerWaalsContact O-N 3.12Å | ||
| 3122 | S | 73.7 | Confident | 63.8 | Low | 47 Ų | 47 | 84.6 Ų | 84.6 | 33% | 0.329 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -47.1 | -32.1 | -171.3 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | L3120 E3126 | L3120-S3122 PolarHBondContact O-N 3.14Å; S3122-E3126 WeakPolarHBondContact O-CB 3.42Å; S3122-E3126 VanDerWaalsContact O-CG 3.3Å; S3122-E3126 WeakPolarHBondContact O-CG 3.48Å; S3122-E3126 PolarHBondContact O-N 3.23Å |
| 3123 | F | 77.3 | Confident | 66.6 | Low | 139 Ų | 139 | 76 Ų | 76 | 61% | 0.61 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -56.8 | -51.1 | 167.2 | -174 | -109.3 | 0 | 0 | 0 | 116.5 | D3121 L3125 E3126 L3127 | D3121-F3123 HydrophobicContact CB-CB 4.43Å; D3121-F3123 CarbonylContact O-C 3.32Å; D3121-F3123 WeakPolarHBondContact O-CA 3.14Å; D3121-F3123 PolarHBondContact O-N 2.97Å; F3123-L3125 VanDerWaalsContact C-N 3.34Å; F3123-E3126 PolarHBondContact O-N 3.23Å; F3123-L3127 HydrophobicContact CD1-CD1 3.7Å; F3123-L3127 HydrophobicContact CD1-CG 4.47Å; F3123-L3127 HydrophobicContact CE1-CD1 3.25Å; F3123-L3127 HydrophobicContact CE1-CG 4.18Å; F3123-L3127 HydrophobicContact CE2-CD1 4.27Å; F3123-L3127 HydrophobicContact CE2-CG 4.37Å; F3123-L3127 HydrophobicContact CG-CD1 4.38Å; F3123-L3127 HydrophobicContact CZ-CD1 3.57Å; F3123-L3127 HydrophobicContact CZ-CD2 4.42Å; F3123-L3127 HydrophobicContact CZ-CG 4.11Å; F3123-L3127 WeakPolarHBondContact O-CB 3.14Å; F3123-L3127 VanDerWaalsContact O-CG 3.29Å; F3123-L3127 WeakPolarHBondContact O-CG 3.37Å; F3123-L3127 PolarHBondContact O-N 3.27Å |
| 3124 | L | 80.6 | Confident | 69.2 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 174.6 | -75.1 | 177.7 | 0 | 0 | 0 | 112.4 | D3121 L3127 A3128 | D3121-L3124 HydrophobicContact CB-CB 4.14Å; D3121-L3124 HydrophobicContact CB-CD1 4.09Å; D3121-L3124 HydrophobicContact CB-CG 3.95Å; D3121-L3124 WeakPolarHBondContact O-CA 3.19Å; D3121-L3124 WeakPolarHBondContact O-CB 3.27Å; D3121-L3124 PolarHBondContact O-N 3.43Å; L3124-L3127 PolarHBondContact O-N 3.35Å; L3124-A3128 WeakPolarHBondContact O-CB 3.23Å; L3124-A3128 PolarHBondContact O-N 3.04Å |
| 3125 | L | 83 | Confident | 71.8 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 175.7 | 175.2 | 61.5 | 0 | 0 | 0 | 110.9 | L2994 F3080 L3120 D3121 F3123 L3127 A3128 I3129 | L2994-L3125 HydrophobicContact CB-CD1 4.01Å; L2994-L3125 HydrophobicContact CD1-CD1 4.46Å; L2994-L3125 HydrophobicContact CD2-CD1 4.4Å; L2994-L3125 WeakPolarHBondContact O-CD2 3.39Å; F3080-L3125 HydrophobicContact CE1-CD1 4.18Å; F3080-L3125 HydrophobicContact CZ-CD1 3.93Å; L3120-L3125 HydrophobicContact CD2-CB 3.91Å; L3120-L3125 HydrophobicContact CD2-CD1 4.05Å; L3120-L3125 HydrophobicContact CD2-CG 4.49Å; L3120-L3125 HydrophobicContact CG-CB 4.38Å; D3121-L3125 PolarHBondContact O-N 3.02Å; D3121-L3125 VanDerWaalsContact O-N 3.12Å; F3123-L3125 VanDerWaalsContact C-N 3.34Å; L3125-L3127 VanDerWaalsContact C-N 3.34Å; L3125-L3127 PolarHBondContact O-N 3.47Å; L3125-A3128 PolarHBondContact O-N 2.89Å; L3125-I3129 HydrophobicContact CD1-CD1 3.93Å; L3125-I3129 HydrophobicContact CD1-CG1 4.36Å; L3125-I3129 HydrophobicContact CG-CD1 4.12Å; L3125-I3129 WeakPolarHBondContact O-CG1 3.18Å; L3125-I3129 PolarHBondContact O-N 3.11Å |
| 3126 | E | 84.2 | Confident | 74.2 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.1 | -75.4 | -179 | 163 | 0 | 0 | 111.4 | R2999 S3122 F3123 A3128 I3129 E3130 | R2999-E3126 IonicContact CZ-OE1 2.97Å; R2999-E3126 IonicContact NH1-OE1 2.68Å; R2999-E3126 PolarHBondContact NH1-OE1 3.37Å; R2999-E3126 IonicContact NH2-OE1 3.27Å; S3122-E3126 WeakPolarHBondContact O-CB 3.42Å; S3122-E3126 VanDerWaalsContact O-CG 3.3Å; S3122-E3126 WeakPolarHBondContact O-CG 3.48Å; S3122-E3126 PolarHBondContact O-N 3.23Å; F3123-E3126 PolarHBondContact O-N 3.23Å; E3126-A3128 VanDerWaalsContact C-N 3.34Å; E3126-A3128 PolarHBondContact O-N 2.77Å; E3126-I3129 PolarHBondContact O-N 3.12Å; E3126-E3130 WeakPolarHBondContact O-CB 3.37Å; E3126-E3130 VanDerWaalsContact O-CG 3.25Å; E3126-E3130 WeakPolarHBondContact O-CG 3.23Å; E3126-E3130 PolarHBondContact O-N 2.77Å |
| 3127 | L | 85.6 | Confident | 76.9 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 45% | 0.445 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 175.8 | -79.5 | 174.4 | 0 | 0 | 0 | 113 | F3123 L3124 L3125 A3131 | F3123-L3127 HydrophobicContact CD1-CD1 3.7Å; F3123-L3127 HydrophobicContact CD1-CG 4.47Å; F3123-L3127 HydrophobicContact CE1-CD1 3.25Å; F3123-L3127 HydrophobicContact CE1-CG 4.18Å; F3123-L3127 HydrophobicContact CE2-CD1 4.27Å; F3123-L3127 HydrophobicContact CE2-CG 4.37Å; F3123-L3127 HydrophobicContact CG-CD1 4.38Å; F3123-L3127 HydrophobicContact CZ-CD1 3.57Å; F3123-L3127 HydrophobicContact CZ-CD2 4.42Å; F3123-L3127 HydrophobicContact CZ-CG 4.11Å; F3123-L3127 WeakPolarHBondContact O-CB 3.14Å; F3123-L3127 VanDerWaalsContact O-CG 3.29Å; F3123-L3127 WeakPolarHBondContact O-CG 3.37Å; F3123-L3127 PolarHBondContact O-N 3.27Å; L3124-L3127 PolarHBondContact O-N 3.35Å; L3125-L3127 VanDerWaalsContact C-N 3.34Å; L3125-L3127 PolarHBondContact O-N 3.47Å; L3127-A3131 VanDerWaalsContact O-CB 3.23Å; L3127-A3131 WeakPolarHBondContact O-CB 3.44Å; L3127-A3131 PolarHBondContact O-N 2.81Å |
| 3128 | A | 84.8 | Confident | 79 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F3080 L3124 L3125 E3126 S3132 | F3080-A3128 HydrophobicContact CD1-CB 4.09Å; F3080-A3128 HydrophobicContact CE1-CB 3.68Å; L3124-A3128 WeakPolarHBondContact O-CB 3.23Å; L3124-A3128 PolarHBondContact O-N 3.04Å; L3125-A3128 PolarHBondContact O-N 2.89Å; E3126-A3128 VanDerWaalsContact C-N 3.34Å; E3126-A3128 PolarHBondContact O-N 2.77Å; A3128-S3132 WeakPolarHBondContact O-CB 3.24Å; A3128-S3132 PolarHBondContact O-N 3.24Å |
| 3129 | I | 86.1 | Confident | 81 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 176.3 | -65.7 | 172.7 | 0 | 0 | 0 | 110.4 | T2991 Y2995 L3083 L3125 E3126 A3131 S3132 L3133 | T2991-I3129 HydrophobicContact CG2-CG2 4.13Å; Y2995-I3129 HydrophobicContact CD1-CD1 4.25Å; Y2995-I3129 HydrophobicContact CD2-CD1 4Å; Y2995-I3129 HydrophobicContact CE1-CD1 3.8Å; Y2995-I3129 HydrophobicContact CE2-CD1 3.53Å; Y2995-I3129 HydrophobicContact CE2-CG2 4.27Å; Y2995-I3129 HydrophobicContact CG-CD1 4.36Å; Y2995-I3129 VanDerWaalsContact CZ-CD1 3.45Å; L3083-I3129 HydrophobicContact CD1-CG1 4.47Å; L3125-I3129 HydrophobicContact CD1-CD1 3.93Å; L3125-I3129 HydrophobicContact CD1-CG1 4.36Å; L3125-I3129 HydrophobicContact CG-CD1 4.12Å; L3125-I3129 WeakPolarHBondContact O-CG1 3.18Å; L3125-I3129 PolarHBondContact O-N 3.11Å; E3126-I3129 PolarHBondContact O-N 3.12Å; I3129-A3131 VanDerWaalsContact C-N 3.35Å; I3129-A3131 PolarHBondContact O-N 3.13Å; I3129-S3132 PolarHBondContact O-N 3.11Å; I3129-L3133 HydrophobicContact CG2-CD1 4.25Å; I3129-L3133 WeakPolarHBondContact O-CG 3.3Å; I3129-L3133 PolarHBondContact O-N 3.13Å |
| 3130 | E | 88.3 | Confident | 82.5 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 174.7 | -74.1 | -66.9 | 148.5 | 0 | 0 | 111.5 | Y2874 S2919 R2920 E3126 S3132 L3133 A3134 | Y2874-E3130 WeakPolarHBondContact CE2-OE2 3.39Å; S2919-E3130 PolarHBondContact OG-OE1 2.98Å; S2919-E3130 VanDerWaalsContact OG-OE1 3.11Å; R2920-E3130 IonicContact CZ-OE1 2.76Å; R2920-E3130 VanDerWaalsContact CZ-OE1 3.26Å; R2920-E3130 IonicContact CZ-OE2 3.94Å; R2920-E3130 IonicContact NH1-OE1 2.68Å; R2920-E3130 PolarHBondContact NH1-OE1 2.97Å; R2920-E3130 IonicContact NH1-OE2 2.71Å; R2920-E3130 IonicContact NH2-OE1 3.66Å; R2920-E3130 PolarHBondContact NH2-OE1 3.07Å; R2920-E3130 IonicContact NH2-OE2 2.69Å; R2920-E3130 PolarHBondContact NH2-OE2 3.22Å; E3126-E3130 WeakPolarHBondContact O-CB 3.37Å; E3126-E3130 VanDerWaalsContact O-CG 3.25Å; E3126-E3130 WeakPolarHBondContact O-CG 3.23Å; E3126-E3130 PolarHBondContact O-N 2.77Å; E3130-S3132 VanDerWaalsContact C-N 3.35Å; E3130-S3132 PolarHBondContact O-N 3.29Å; E3130-L3133 PolarHBondContact O-N 3.18Å; E3130-A3134 VanDerWaalsContact O-CB 3.29Å; E3130-A3134 WeakPolarHBondContact O-CB 3.13Å; E3130-A3134 PolarHBondContact O-N 3.41Å |
| 3131 | A | 86.8 | Confident | 83.4 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 50% | 0.504 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L3127 I3129 A3134 Q3135 | L3127-A3131 VanDerWaalsContact O-CB 3.23Å; L3127-A3131 WeakPolarHBondContact O-CB 3.44Å; L3127-A3131 PolarHBondContact O-N 2.81Å; I3129-A3131 VanDerWaalsContact C-N 3.35Å; I3129-A3131 PolarHBondContact O-N 3.13Å; A3131-A3134 PolarHBondContact O-N 2.87Å; A3131-Q3135 PolarHBondContact O-N 3.37Å |
| 3132 | S | 88.5 | Confident | 83.6 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.6 | -177 | 0 | 0 | 0 | 0 | 111.6 | R2915 L3083 A3128 I3129 E3130 Q3135 E3136 | R2915-S3132 PolarHBondContact NH2-OG 2.93Å; L3083-S3132 PolarHBondContact O-OG 3.12Å; A3128-S3132 WeakPolarHBondContact O-CB 3.24Å; A3128-S3132 PolarHBondContact O-N 3.24Å; I3129-S3132 PolarHBondContact O-N 3.11Å; E3130-S3132 VanDerWaalsContact C-N 3.35Å; E3130-S3132 PolarHBondContact O-N 3.29Å; S3132-Q3135 PolarHBondContact O-N 2.77Å; S3132-E3136 WeakPolarHBondContact O-CG 3.39Å |
| 3133 | L | 91.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 176.4 | -73.6 | 174.8 | 0 | 0 | 0 | 112 | Y2874 L2912 R2915 V2916 I3129 E3130 Q3135 E3136 F3137 | Y2874-L3133 HydrophobicContact CD2-CB 4.08Å; Y2874-L3133 HydrophobicContact CD2-CD1 4.25Å; Y2874-L3133 HydrophobicContact CE2-CB 3.7Å; Y2874-L3133 HydrophobicContact CE2-CD1 4.32Å; L2912-L3133 HydrophobicContact CD1-CD2 4.25Å; R2915-L3133 HydrophobicContact CB-CD2 3.92Å; V2916-L3133 HydrophobicContact CG2-CD2 4Å; I3129-L3133 HydrophobicContact CG2-CD1 4.25Å; I3129-L3133 WeakPolarHBondContact O-CG 3.3Å; I3129-L3133 PolarHBondContact O-N 3.13Å; E3130-L3133 PolarHBondContact O-N 3.18Å; L3133-Q3135 PolarHBondContact O-N 3.05Å; L3133-E3136 PolarHBondContact O-N 3.33Å; L3133-E3136 VanDerWaalsContact O-N 3.17Å; L3133-F3137 WeakPolarHBondContact O-CD2 3.19Å; L3133-F3137 WeakPolarHBondContact O-CE2 3.4Å |
| 3134 | A | 88.3 | Confident | 81.2 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -29.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y2874 E3130 A3131 P3138 | Y2874-A3134 WeakPolarHBondContact OH-CB 3.08Å; E3130-A3134 VanDerWaalsContact O-CB 3.29Å; E3130-A3134 WeakPolarHBondContact O-CB 3.13Å; E3130-A3134 PolarHBondContact O-N 3.41Å; A3131-A3134 PolarHBondContact O-N 2.87Å; A3134-P3138 WeakPolarHBondContact O-CD 3.45Å |
| 3135 | Q | 87.1 | Confident | 81.2 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -80.4 | -19.3 | -179.5 | -169.5 | 174.6 | -2.9 | 0 | 0 | 113.6 | D3086 A3131 S3132 L3133 F3137 | D3086-Q3135 PolarHBondContact OD2-NE2 3.36Å; D3086-Q3135 VanDerWaalsContact OD2-NE2 3.16Å; A3131-Q3135 PolarHBondContact O-N 3.37Å; S3132-Q3135 PolarHBondContact O-N 2.77Å; L3133-Q3135 PolarHBondContact O-N 3.05Å; Q3135-F3137 VanDerWaalsContact C-N 3.35Å; Q3135-F3137 PolarHBondContact O-N 3.35Å |
| 3136 | E | 87.8 | Confident | 81.1 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76 | -21.9 | -177.3 | -63.3 | -76.7 | 173.8 | 0 | 0 | 113.7 | L2912 R2915 K2987 S3132 L3133 | L2912-E3136 HydrophobicContact CD1-CB 3.64Å; L2912-E3136 HydrophobicContact CD1-CG 3.72Å; L2912-E3136 HydrophobicContact CD2-CB 4.26Å; R2915-E3136 IonicContact NH1-OE1 3.12Å; R2915-E3136 PolarHBondContact NH1-OE1 2.8Å; K2987-E3136 WeakPolarHBondContact CD-OE1 3.04Å; K2987-E3136 WeakPolarHBondContact CE-OE1 3.35Å; K2987-E3136 IonicContact NZ-OE1 2.93Å; K2987-E3136 PolarHBondContact NZ-OE1 2.82Å; K2987-E3136 IonicContact NZ-OE2 2.89Å; S3132-E3136 WeakPolarHBondContact O-CG 3.39Å; L3133-E3136 PolarHBondContact O-N 3.33Å; L3133-E3136 VanDerWaalsContact O-N 3.17Å |
| 3137 | F | 91 | Very high | 80.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -84.1 | -50.5 | -175.9 | -62.1 | -73.8 | 0 | 0 | 0 | 113.7 | F2809 L2816 K2867 Y2871 Y2874 L2912 V2916 L3133 Q3135 E3139 | F2809-F3137 WeakPolarHBondContact CB-O 3.21Å; F2809-F3137 HydrophobicContact CD1-CB 3.97Å; F2809-F3137 HydrophobicContact CD1-CD1 4.5Å; F2809-F3137 HydrophobicContact CE1-CB 4.05Å; F2809-F3137 AromaticContact CE1-CD1 3.82Å; F2809-F3137 HydrophobicContact CE1-CD1 3.82Å; F2809-F3137 HydrophobicContact CE1-CG 4.32Å; F2809-F3137 HydrophobicContact CZ-CD1 4.25Å; L2816-F3137 HydrophobicContact CD1-CB 4.46Å; L2816-F3137 HydrophobicContact CD2-CB 3.83Å; K2867-F3137 PolarHBondContact NZ-O 3.35Å; K2867-F3137 VanDerWaalsContact NZ-O 3.14Å; Y2871-F3137 VanDerWaalsContact CA-CE1 3.49Å; Y2871-F3137 HydrophobicContact CD2-CB 4.28Å; Y2871-F3137 AromaticContact CD2-CD1 3.8Å; Y2871-F3137 HydrophobicContact CD2-CD1 3.8Å; Y2871-F3137 AromaticContact CD2-CD2 3.98Å; Y2871-F3137 HydrophobicContact CD2-CD2 3.98Å; Y2871-F3137 HydrophobicContact CD2-CE1 4.07Å; Y2871-F3137 HydrophobicContact CD2-CE2 4.24Å; Y2871-F3137 AromaticContact CD2-CG 3.74Å; Y2871-F3137 HydrophobicContact CD2-CG 3.74Å; Y2871-F3137 HydrophobicContact CD2-CZ 4.28Å; Y2871-F3137 HydrophobicContact CE2-CG 4.49Å; Y2871-F3137 HydrophobicContact CG-CD1 4.21Å; Y2871-F3137 HydrophobicContact CG-CE1 4.34Å; Y2874-F3137 HydrophobicContact CD1-CD2 4.04Å; Y2874-F3137 AromaticContact CD1-CE2 3.51Å; Y2874-F3137 HydrophobicContact CD1-CE2 3.51Å; Y2874-F3137 HydrophobicContact CD1-CZ 4.21Å; Y2874-F3137 HydrophobicContact CD2-CE2 4.19Å; Y2874-F3137 HydrophobicContact CE1-CD2 4.26Å; Y2874-F3137 HydrophobicContact CE1-CE2 4.04Å; Y2874-F3137 AromaticContact CG-CE2 3.58Å; Y2874-F3137 HydrophobicContact CG-CE2 3.58Å; Y2874-F3137 HydrophobicContact CG-CZ 4.04Å; L2912-F3137 HydrophobicContact CD2-CE1 4.13Å; V2916-F3137 HydrophobicContact CG2-CZ 4.04Å; L3133-F3137 WeakPolarHBondContact O-CD2 3.19Å; L3133-F3137 WeakPolarHBondContact O-CE2 3.4Å; Q3135-F3137 VanDerWaalsContact C-N 3.35Å; Q3135-F3137 PolarHBondContact O-N 3.35Å; F3137-E3139 PolarHBondContact O-N 3.17Å |
| 3138 | P | 87 | Confident | 80.7 | Confident | 36 Ų | 36 | 60.9 Ų | 60.9 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | trans | -56.3 | 132.7 | -175.7 | -24 | 33.4 | 0 | 0 | 0 | 112.9 | P2813 L2816 A3134 | P2813-P3138 HydrophobicContact CB-CG 4.42Å; L2816-P3138 HydrophobicContact CD2-CG 3.94Å; A3134-P3138 WeakPolarHBondContact O-CD 3.45Å | ||
| 3139 | E | 85.6 | Confident | 80.4 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | trans | -107.9 | 146.9 | 173.3 | -71.1 | 172 | -163.2 | 0 | 0 | 110.2 | F2809 Q2810 K2867 F3137 I3141 | F2809-E3139 HydrophobicContact CB-CB 4.29Å; F2809-E3139 HydrophobicContact CB-CG 3.88Å; F2809-E3139 PolarHBondContact O-N 3.01Å; Q2810-E3139 HydrophobicContact CG-CB 4.07Å; K2867-E3139 IonicContact NZ-OE1 3.07Å; K2867-E3139 PolarHBondContact NZ-OE1 3.15Å; F3137-E3139 PolarHBondContact O-N 3.17Å; E3139-I3141 PolarHBondContact O-N 2.94Å | ||
| 3140 | M | 77.6 | Confident | 80 | Confident | 152 Ų | 152 | 66.8 Ų | 66.8 | 75% | 0.749 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 128.1 | 179.1 | -166.8 | 177.7 | 79.3 | 0 | 0 | 110.1 | P3142 | M3140-P3142 WeakPolarHBondContact O-CD 3.4Š|
| 3141 | I | 73.5 | Confident | 79.4 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 16% | 0.159 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 122.1 | 170.9 | -57.8 | 172.5 | 0 | 0 | 0 | 106.8 | Q2810 E3139 S3143 | Q2810-I3141 HydrophobicContact CB-CG1 4.4Å; E3139-I3141 PolarHBondContact O-N 2.94Å; I3141-S3143 PolarHBondContact O-N 3.45Å |
| 3142 | P | 67.3 | Low | 78.8 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 47% | 0.468 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -61 | 126.6 | 178.8 | 23.4 | -31.2 | 0 | 0 | 0 | 110 | M3140 R3144 | M3140-P3142 WeakPolarHBondContact O-CD 3.4Å; P3142-R3144 PolarHBondContact O-N 3.4Å |
| 3143 | S | 55.5 | Low | 78 | Confident | 100 Ų | 100 | 74.3 Ų | 74.3 | 70% | 0.699 | 38% | 0.376 | S | S | * | . | trans | -66 | 114.8 | 165.2 | 52.4 | 0 | 0 | 0 | 0 | 107.1 | I3141 | I3141-S3143 PolarHBondContact O-N 3.45Š| ||
| 3144 | R | 44.7 | Very low | 76.8 | Confident | 275 Ų | 275 | 81.1 Ų | 81.1 | 100% | 1.038 | 41% | 0.41 | S | S | * | . | trans | -73.7 | 0 | 175.7 | -129 | -171.5 | -167.4 | -169.5 | 1.9 | 111.1 | P3142 | P3142-R3144 PolarHBondContact O-N 3.4Š|
Retrieved 3,144 of 3,144 residues in 4816.9 ms
(Link to these results)