| 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 | 78.9 | Confident | 88.8 | Confident | 182 Ų | 182 | 70 Ų | 70 | 90% | 0.897 | 35% | 0.347 | S | S | * | . | 0 | -38.1 | 0 | -80.1 | 173 | 53.8 | 0 | 0 | 111 | V3 E4 E5 | M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.03Å; M1-E4 PolarHBondContact O-N 3.27Å; M1-E5 PolarHBondContact O-N 2.84Å | |||
| 2 | A | 83.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.8 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E5 L6 R35 C36 E39 | A2-E5 WeakPolarHBondContact O-CB 3.3Å; A2-E5 PolarHBondContact O-N 3.29Å; A2-L6 PolarHBondContact O-N 3.07Å; A2-R35 HydrophobicContact CB-CB 3.59Å; A2-C36 VanDerWaalsContact C-SG 3.54Å; A2-E39 VanDerWaalsContact CB-OE2 3.32Å; A2-E39 WeakPolarHBondContact CB-OE2 3.24Å; A2-E39 PolarHBondContact N-OE2 3.45Å |
| 3 | V | 87.9 | Confident | 88.8 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | M1 E5 L6 Q7 H41 Q44 | M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.03Å; V3-E5 VanDerWaalsContact C-N 3.35Å; V3-L6 PolarHBondContact O-N 3.09Å; V3-Q7 HydrophobicContact CG1-CG 4.5Å; V3-Q7 WeakPolarHBondContact O-CB 3.14Å; V3-Q7 VanDerWaalsContact O-CG 3.29Å; V3-Q7 WeakPolarHBondContact O-CG 3.44Å; V3-Q7 PolarHBondContact O-N 3.13Å; V3-H41 HydrophobicContact CG2-CB 3.47Å; V3-H41 VanDerWaalsContact CG2-CB 3.47Å; V3-Q44 HydrophobicContact CG1-CB 4.19Å; V3-Q44 HydrophobicContact CG2-CB 4.34Å |
| 4 | E | 89 | Confident | 88.8 | Confident | 144 Ų | 144 | 70.2 Ų | 70.2 | 67% | 0.673 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68 | -37.9 | 177.5 | -66.7 | -179.1 | 164.4 | 0 | 0 | 111.2 | M1 Q7 S8 | M1-E4 PolarHBondContact O-N 3.27Å; E4-Q7 PolarHBondContact O-N 2.86Å; E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.21Å |
| 5 | E | 91.1 | Very high | 88.8 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 33% | 0.327 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 173.5 | -173.3 | 177.4 | -163.6 | 0 | 0 | 110.8 | M1 A2 V3 Q7 S8 I9 A32 R35 | M1-E5 PolarHBondContact O-N 2.84Å; A2-E5 WeakPolarHBondContact O-CB 3.3Å; A2-E5 PolarHBondContact O-N 3.29Å; V3-E5 VanDerWaalsContact C-N 3.35Å; E5-Q7 PolarHBondContact O-N 3.16Å; E5-S8 WeakPolarHBondContact O-CB 3.45Å; E5-S8 PolarHBondContact O-N 3.43Å; E5-I9 HydrophobicContact CG-CD1 4.29Å; E5-I9 WeakPolarHBondContact O-CG1 3.41Å; E5-I9 PolarHBondContact O-N 3.27Å; E5-A32 HydrophobicContact CG-CB 4.17Å; E5-R35 IonicContact OE1-NH1 3.47Å; E5-R35 PolarHBondContact OE1-NH1 3.03Å; E5-R35 VanDerWaalsContact OE1-NH1 3.16Å; E5-R35 IonicContact OE2-CZ 3.59Å; E5-R35 IonicContact OE2-NH1 3.59Å; E5-R35 PolarHBondContact OE2-NH1 3.44Å |
| 6 | L | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 177.1 | -176.2 | 62.5 | 0 | 0 | 0 | 112.1 | A2 V3 S8 I9 I10 F29 A32 L45 I48 | A2-L6 PolarHBondContact O-N 3.07Å; V3-L6 PolarHBondContact O-N 3.09Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-S8 PolarHBondContact O-N 2.94Å; L6-I9 PolarHBondContact O-N 3.39Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.37Å; L6-F29 HydrophobicContact CD1-CD2 3.6Å; L6-F29 HydrophobicContact CD1-CE2 3.65Å; L6-A32 HydrophobicContact CB-CB 4.05Å; L6-A32 HydrophobicContact CD1-CB 4.07Å; L6-L45 HydrophobicContact CD2-CD1 3.49Å; L6-L45 VanDerWaalsContact CD2-CD1 3.49Å; L6-I48 HydrophobicContact CD2-CD1 3.9Å; L6-I48 HydrophobicContact CG-CD1 4.35Å |
| 7 | Q | 91.3 | Very high | 88.4 | Confident | 103 Ų | 103 | 77.1 Ų | 77.1 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 177.2 | -75.4 | 179.6 | -6.9 | 0 | 0 | 112.6 | V3 E4 E5 I10 K11 I48 | V3-Q7 HydrophobicContact CG1-CG 4.5Å; V3-Q7 WeakPolarHBondContact O-CB 3.14Å; V3-Q7 VanDerWaalsContact O-CG 3.29Å; V3-Q7 WeakPolarHBondContact O-CG 3.44Å; V3-Q7 PolarHBondContact O-N 3.13Å; E4-Q7 PolarHBondContact O-N 2.86Å; E5-Q7 PolarHBondContact O-N 3.16Å; Q7-I10 PolarHBondContact O-N 3.22Å; Q7-K11 VanDerWaalsContact O-CB 3.27Å; Q7-K11 WeakPolarHBondContact O-CB 3.3Å; Q7-K11 PolarHBondContact O-N 3.44Å; Q7-I48 HydrophobicContact CG-CD1 3.95Å |
| 8 | S | 91.5 | Very high | 88 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 56% | 0.559 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | E4 E5 L6 K11 R12 | E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.21Å; E5-S8 WeakPolarHBondContact O-CB 3.45Å; E5-S8 PolarHBondContact O-N 3.43Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-S8 PolarHBondContact O-N 2.94Å; S8-K11 PolarHBondContact O-N 3.13Å; S8-R12 PolarHBondContact O-N 2.77Å |
| 9 | I | 91.1 | Very high | 87.7 | Confident | 20 Ų | 20 | 81.9 Ų | 81.9 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 176.2 | -64.4 | 161.3 | 0 | 0 | 0 | 110.3 | E5 L6 K11 R12 C13 L28 F29 A32 | E5-I9 HydrophobicContact CG-CD1 4.29Å; E5-I9 WeakPolarHBondContact O-CG1 3.41Å; E5-I9 PolarHBondContact O-N 3.27Å; L6-I9 PolarHBondContact O-N 3.39Å; I9-K11 VanDerWaalsContact C-N 3.31Å; I9-K11 PolarHBondContact O-N 3.24Å; I9-R12 WeakPolarHBondContact O-CB 3.49Å; I9-R12 PolarHBondContact O-N 3.27Å; I9-C13 PolarHBondContact O-N 2.88Å; I9-C13 PolarHBondContact O-SG 2.87Å; I9-C13 VanDerWaalsContact O-SG 3.32Å; I9-L28 HydrophobicContact CD1-CB 3.93Å; I9-F29 HydrophobicContact CG2-CB 4.38Å; I9-A32 HydrophobicContact CD1-CB 3.75Å |
| 10 | I | 90.7 | Very high | 87.7 | Confident | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55 | -47.1 | 176.8 | -73.2 | -62.7 | 0 | 0 | 0 | 111.1 | L6 Q7 R12 C13 Q14 F29 I48 N54 I57 | L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.37Å; Q7-I10 PolarHBondContact O-N 3.22Å; I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 3.05Å; I10-C13 PolarHBondContact O-N 2.99Å; I10-Q14 HydrophobicContact CG2-CG 4.22Å; I10-Q14 WeakPolarHBondContact O-CB 3.48Å; I10-Q14 VanDerWaalsContact O-CG 3.27Å; I10-Q14 WeakPolarHBondContact O-CG 3.23Å; I10-Q14 PolarHBondContact O-N 3.08Å; I10-F29 HydrophobicContact CD1-CD2 4.09Å; I10-F29 HydrophobicContact CD1-CE2 3.6Å; I10-F29 HydrophobicContact CG1-CE2 4.36Å; I10-I48 HydrophobicContact CG1-CG2 4.2Å; I10-N54 VanDerWaalsContact CG2-OD1 3.29Å; I10-N54 WeakPolarHBondContact CG2-OD1 3.27Å; I10-I57 HydrophobicContact CD1-CB 4.33Å; I10-I57 HydrophobicContact CD1-CD1 4.04Å; I10-I57 HydrophobicContact CD1-CG2 3.7Å; I10-I57 HydrophobicContact CG2-CD1 4.14Å; I10-I57 WeakPolarHBondContact O-CD1 3.19Å |
| 11 | K | 90.3 | Very high | 87.8 | Confident | 146 Ų | 146 | 79.3 Ų | 79.3 | 64% | 0.635 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.6 | -33.7 | -177.7 | -167.6 | 169.7 | -175.1 | 177.6 | 0 | 112.6 | Q7 S8 I9 | Q7-K11 VanDerWaalsContact O-CB 3.27Å; Q7-K11 WeakPolarHBondContact O-CB 3.3Å; Q7-K11 PolarHBondContact O-N 3.44Å; S8-K11 PolarHBondContact O-N 3.13Å; I9-K11 VanDerWaalsContact C-N 3.31Å; I9-K11 PolarHBondContact O-N 3.24Å |
| 12 | R | 89 | Confident | 88.2 | Confident | 127 Ų | 127 | 76.9 Ų | 76.9 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 171 | 175.5 | -178.7 | 160.7 | -174.6 | -15 | 110.7 | S8 I9 I10 Q14 I15 D25 | S8-R12 PolarHBondContact O-N 2.77Å; I9-R12 WeakPolarHBondContact O-CB 3.49Å; I9-R12 PolarHBondContact O-N 3.27Å; I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 3.05Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-Q14 PolarHBondContact O-N 3.04Å; R12-I15 PolarHBondContact O-N 3.42Å; R12-D25 IonicContact CZ-OD1 3.5Å; R12-D25 IonicContact NE-OD1 3.49Å; R12-D25 IonicContact NH2-OD1 2.79Å; R12-D25 PolarHBondContact NH2-OD1 3.03Å |
| 13 | C | 88.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 85.4 Ų | 85.4 | 1% | 0.014 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.9 | -25.8 | -178.7 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | I9 I10 I15 L16 F21 I57 | I9-C13 PolarHBondContact O-N 2.88Å; I9-C13 PolarHBondContact O-SG 2.87Å; I9-C13 VanDerWaalsContact O-SG 3.32Å; I10-C13 PolarHBondContact O-N 2.99Å; C13-I15 PolarHBondContact O-N 3.28Å; C13-L16 PolarHBondContact O-N 3.24Å; C13-F21 HydrophobicContact CB-CE1 4.07Å; C13-I57 HydrophobicContact CB-CD1 3.8Å; C13-I57 HydrophobicContact CB-CG1 4.08Å |
| 14 | Q | 88.6 | Confident | 88.3 | Confident | 84 Ų | 84 | 91 Ų | 91 | 39% | 0.393 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23 | 175.6 | -83.8 | 174.5 | -2.3 | 0 | 0 | 113.7 | I10 R12 N54 I57 | I10-Q14 HydrophobicContact CG2-CG 4.22Å; I10-Q14 WeakPolarHBondContact O-CB 3.48Å; I10-Q14 VanDerWaalsContact O-CG 3.27Å; I10-Q14 WeakPolarHBondContact O-CG 3.23Å; I10-Q14 PolarHBondContact O-N 3.08Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-Q14 PolarHBondContact O-N 3.04Å; Q14-N54 PolarHBondContact NE2-OD1 3.42Å; Q14-I57 HydrophobicContact CB-CD1 4.48Å; Q14-I57 HydrophobicContact CG-CD1 3.76Å |
| 15 | I | 88.8 | Confident | 88.4 | Confident | 145 Ų | 145 | 84.3 Ų | 84.3 | 74% | 0.744 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -16.2 | -177.5 | -55.3 | 166.9 | 0 | 0 | 0 | 111 | R12 C13 | R12-I15 PolarHBondContact O-N 3.42Å; C13-I15 PolarHBondContact O-N 3.28Å |
| 16 | L | 86.9 | Confident | 88.3 | Confident | 63 Ų | 63 | 83.4 Ų | 83.4 | 33% | 0.33 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -89 | 151.8 | -178.2 | -59.4 | 176.2 | 0 | 0 | 0 | 111 | C13 D20 F21 | C13-L16 PolarHBondContact O-N 3.24Å; L16-D20 HydrophobicContact CB-CB 4.35Å; L16-F21 HydrophobicContact CB-CD1 4.2Å; L16-F21 HydrophobicContact CB-CE1 3.99Å; L16-F21 HydrophobicContact CD1-CD1 4.37Å |
| 17 | E | 83.4 | Confident | 88.2 | Confident | 120 Ų | 120 | 84.6 Ų | 84.6 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | trans | -79.4 | 159 | 167.4 | -63.6 | -169.6 | 168.1 | 0 | 0 | 110.9 | Q19 D20 | E17-Q19 HydrophobicContact CB-CG 4.13Å; E17-Q19 PolarHBondContact O-N 3.1Å; E17-Q19 VanDerWaalsContact O-N 3.08Å; E17-Q19 PolarHBondContact OE2-NE2 2.91Å; E17-D20 PolarHBondContact O-N 3.12Å | ||
| 18 | E | 81.9 | Confident | 88.3 | Confident | 90 Ų | 90 | 83.1 Ų | 83.1 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -55 | -32.7 | -177.2 | -68.6 | -169.9 | -167 | 0 | 0 | 113.3 | D20 F21 V56 K59 N60 | E18-D20 VanDerWaalsContact C-N 3.32Å; E18-F21 WeakPolarHBondContact O-CD2 3.34Å; E18-V56 HydrophobicContact CG-CG1 3.33Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.3Å; E18-K59 IonicContact OE1-NZ 2.77Å; E18-K59 IonicContact OE2-NZ 3.31Å; E18-N60 WeakPolarHBondContact CG-ND2 3.25Å; E18-N60 PolarHBondContact OE2-ND2 3.23Å |
| 19 | Q | 82.6 | Confident | 88.4 | Confident | 155 Ų | 155 | 79.4 Ų | 79.4 | 72% | 0.724 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -75.6 | -16.3 | -179.7 | 58.5 | -173.5 | -10.1 | 0 | 0 | 114.2 | E17 | E17-Q19 HydrophobicContact CB-CG 4.13Å; E17-Q19 PolarHBondContact O-N 3.1Å; E17-Q19 VanDerWaalsContact O-N 3.08Å; E17-Q19 PolarHBondContact OE2-NE2 2.91Å |
| 20 | D | 87.1 | Confident | 88.5 | Confident | 84 Ų | 84 | 81.8 Ų | 81.8 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -96.8 | -0.2 | -175.8 | -64 | -42.4 | 0 | 0 | 0 | 113.1 | L16 E17 E18 K22 | L16-D20 HydrophobicContact CB-CB 4.35Å; E17-D20 PolarHBondContact O-N 3.12Å; E18-D20 VanDerWaalsContact C-N 3.32Å; D20-K22 PolarHBondContact O-N 3.46Å |
| 21 | F | 88.9 | Confident | 88.6 | Confident | 26 Ų | 26 | 85.8 Ų | 85.8 | 11% | 0.114 | 41% | 0.409 | C | S | . | . | trans | -66.1 | 123.3 | 175.4 | -65.2 | -25 | 0 | 0 | 0 | 110.9 | C13 L16 E18 F26 V56 I57 N60 M61 | C13-F21 HydrophobicContact CB-CE1 4.07Å; L16-F21 HydrophobicContact CB-CD1 4.2Å; L16-F21 HydrophobicContact CB-CE1 3.99Å; L16-F21 HydrophobicContact CD1-CD1 4.37Å; E18-F21 WeakPolarHBondContact O-CD2 3.34Å; F21-F26 HydrophobicContact CB-CE2 3.92Å; F21-F26 HydrophobicContact CB-CZ 4.14Å; F21-V56 HydrophobicContact CE2-CG1 4.44Å; F21-V56 HydrophobicContact CZ-CG1 4.37Å; F21-I57 HydrophobicContact CZ-CG1 4.3Å; F21-N60 HydrophobicContact CD2-CB 4.3Å; F21-N60 HydrophobicContact CE2-CB 4.16Å; F21-M61 HydrophobicContact CB-CE 3.68Å; F21-M61 HydrophobicContact CD1-CE 3.75Å; F21-M61 HydrophobicContact CD2-CE 3.76Å; F21-M61 HydrophobicContact CE1-CE 4.29Å; F21-M61 HydrophobicContact CE2-CE 4.28Å; F21-M61 HydrophobicContact CG-CE 3.46Å; F21-M61 VanDerWaalsContact CG-CE 3.46Å | ||
| 22 | K | 88.6 | Confident | 88.8 | Confident | 130 Ų | 130 | 78.8 Ų | 78.8 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | trans | -93.1 | 153.7 | 178.4 | -60.6 | -176.9 | -179.9 | -177.2 | 0 | 110.6 | D20 E24 D25 F26 | D20-K22 PolarHBondContact O-N 3.46Å; K22-E24 PolarHBondContact O-N 3.34Å; K22-D25 WeakPolarHBondContact CB-OD2 3.42Å; K22-D25 PolarHBondContact N-OD2 3.16Å; K22-D25 WeakPolarHBondContact O-CA 3.39Å; K22-D25 VanDerWaalsContact O-CB 3.31Å; K22-D25 WeakPolarHBondContact O-CB 3.33Å; K22-D25 PolarHBondContact O-N 3.31Å; K22-F26 WeakPolarHBondContact O-CD2 3.39Å | ||
| 23 | E | 85.4 | Confident | 89 | Confident | 180 Ų | 180 | 72.8 Ų | 72.8 | 84% | 0.841 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -52.1 | -38.9 | 175.8 | -166.2 | 176.1 | -176.8 | 0 | 0 | 112.8 | D25 F26 G27 | E23-D25 VanDerWaalsContact C-N 3.26Å; E23-D25 PolarHBondContact O-N 2.77Å; E23-F26 PolarHBondContact O-N 3.06Å; E23-F26 VanDerWaalsContact O-N 3.16Å; E23-G27 PolarHBondContact O-N 3.49Å |
| 24 | E | 88.6 | Confident | 89.2 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 63% | 0.631 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57.4 | -36.4 | 174 | -64.8 | 176.3 | -179.2 | 0 | 0 | 113.1 | K22 F26 G27 L28 | K22-E24 PolarHBondContact O-N 3.34Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 3.37Å; E24-G27 PolarHBondContact O-N 2.87Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 VanDerWaalsContact O-CG 3.27Å; E24-L28 WeakPolarHBondContact O-CG 3.49Å; E24-L28 PolarHBondContact O-N 3.45Å |
| 25 | D | 89.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.7 | -35.1 | -179.2 | -58.4 | -50.6 | 0 | 0 | 0 | 110.7 | R12 K22 E23 F29 M61 | R12-D25 IonicContact CZ-OD1 3.5Å; R12-D25 IonicContact NE-OD1 3.49Å; R12-D25 IonicContact NH2-OD1 2.79Å; R12-D25 PolarHBondContact NH2-OD1 3.03Å; K22-D25 WeakPolarHBondContact CB-OD2 3.42Å; K22-D25 PolarHBondContact N-OD2 3.16Å; K22-D25 WeakPolarHBondContact O-CA 3.39Å; K22-D25 VanDerWaalsContact O-CB 3.31Å; K22-D25 WeakPolarHBondContact O-CB 3.33Å; K22-D25 PolarHBondContact O-N 3.31Å; E23-D25 VanDerWaalsContact C-N 3.26Å; E23-D25 PolarHBondContact O-N 2.77Å; D25-F29 WeakPolarHBondContact O-CB 3.45Å; D25-F29 PolarHBondContact O-N 3.2Å; D25-M61 HydrophobicContact CB-CE 3.75Å |
| 26 | F | 90.1 | Very high | 89.5 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 175.1 | -63.8 | -100.7 | 0 | 0 | 0 | 111.4 | F21 K22 E23 E24 F29 Q30 M61 | F21-F26 HydrophobicContact CB-CE2 3.92Å; F21-F26 HydrophobicContact CB-CZ 4.14Å; K22-F26 WeakPolarHBondContact O-CD2 3.39Å; E23-F26 PolarHBondContact O-N 3.06Å; E23-F26 VanDerWaalsContact O-N 3.16Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 3.37Å; F26-F29 PolarHBondContact O-N 3.16Å; F26-Q30 WeakPolarHBondContact O-CB 3.49Å; F26-Q30 PolarHBondContact O-N 2.75Å; F26-M61 HydrophobicContact CD1-CB 4.21Å; F26-M61 HydrophobicContact CD1-CG 3.68Å; F26-M61 HydrophobicContact CD2-CE 4.32Å; F26-M61 HydrophobicContact CE1-CB 4.43Å; F26-M61 HydrophobicContact CE1-CG 3.66Å; F26-M61 HydrophobicContact CE2-CE 4.16Å; F26-M61 HydrophobicContact CG-CG 4.28Å; F26-M61 HydrophobicContact CZ-CE 4.27Å; F26-M61 HydrophobicContact CZ-CG 4.25Å |
| 27 | G | 89.4 | Confident | 89.6 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E23 E24 Q30 L31 | E23-G27 PolarHBondContact O-N 3.49Å; E24-G27 PolarHBondContact O-N 2.87Å; G27-Q30 PolarHBondContact O-N 3.16Å; G27-L31 WeakPolarHBondContact O-CB 3.21Å; G27-L31 PolarHBondContact O-N 3.13Å |
| 28 | L | 92.5 | Very high | 89.8 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.7 | -71.6 | 173.5 | 0 | 0 | 0 | 111.5 | I9 E24 L31 A32 | I9-L28 HydrophobicContact CD1-CB 3.93Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 VanDerWaalsContact O-CG 3.27Å; E24-L28 WeakPolarHBondContact O-CG 3.49Å; E24-L28 PolarHBondContact O-N 3.45Å; L28-L31 PolarHBondContact O-N 2.95Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.26Å |
| 29 | F | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.6 | 178.8 | -101.4 | 0 | 0 | 0 | 111.9 | L6 I9 I10 D25 F26 G33 I58 M61 L65 | L6-F29 HydrophobicContact CD1-CD2 3.6Å; L6-F29 HydrophobicContact CD1-CE2 3.65Å; I9-F29 HydrophobicContact CG2-CB 4.38Å; I10-F29 HydrophobicContact CD1-CD2 4.09Å; I10-F29 HydrophobicContact CD1-CE2 3.6Å; I10-F29 HydrophobicContact CG1-CE2 4.36Å; D25-F29 WeakPolarHBondContact O-CB 3.45Å; D25-F29 PolarHBondContact O-N 3.2Å; F26-F29 PolarHBondContact O-N 3.16Å; F29-G33 PolarHBondContact O-N 3.13Å; F29-I58 HydrophobicContact CZ-CD1 4.2Å; F29-M61 HydrophobicContact CB-SD 4.44Å; F29-M61 HydrophobicContact CD1-CB 3.82Å; F29-M61 HydrophobicContact CE1-CB 4.05Å; F29-M61 WeakPolarHBondContact CE1-O 3.44Å; F29-M61 HydrophobicContact CG-CB 4.3Å; F29-L65 HydrophobicContact CD1-CD2 4.42Å; F29-L65 HydrophobicContact CD1-CG 4.37Å; F29-L65 HydrophobicContact CE1-CD1 3.66Å; F29-L65 HydrophobicContact CE1-CD2 4.06Å; F29-L65 HydrophobicContact CE1-CG 3.6Å; F29-L65 HydrophobicContact CZ-CD1 3.58Å; F29-L65 HydrophobicContact CZ-CG 4.08Å |
| 30 | Q | 93.4 | Very high | 90.2 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -51.9 | 175.5 | -174.3 | -179.5 | 5 | 0 | 0 | 111.8 | F26 G27 G33 Q34 N64 | F26-Q30 WeakPolarHBondContact O-CB 3.49Å; F26-Q30 PolarHBondContact O-N 2.75Å; G27-Q30 PolarHBondContact O-N 3.16Å; Q30-G33 PolarHBondContact O-N 2.79Å; Q30-Q34 VanDerWaalsContact O-CB 3.3Å; Q30-Q34 WeakPolarHBondContact O-CB 3.37Å; Q30-Q34 PolarHBondContact O-N 3.2Å; Q30-N64 HydrophobicContact CB-CB 3.91Å; Q30-N64 HydrophobicContact CG-CB 4.13Å |
| 31 | L | 93.6 | Very high | 90.3 | Very high | 90 Ų | 90 | 60 Ų | 60 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | -178.5 | -82.2 | 157.3 | 0 | 0 | 0 | 111.8 | G27 L28 Q34 R35 | G27-L31 WeakPolarHBondContact O-CB 3.21Å; G27-L31 PolarHBondContact O-N 3.13Å; L28-L31 PolarHBondContact O-N 2.95Å; L31-Q34 PolarHBondContact O-N 2.91Å; L31-R35 WeakPolarHBondContact O-CG 3.48Å; L31-R35 PolarHBondContact O-N 3.37Å |
| 32 | A | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.4 | -41 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E5 L6 I9 L28 R35 C36 | E5-A32 HydrophobicContact CG-CB 4.17Å; L6-A32 HydrophobicContact CB-CB 4.05Å; L6-A32 HydrophobicContact CD1-CB 4.07Å; I9-A32 HydrophobicContact CD1-CB 3.75Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.26Å; A32-R35 PolarHBondContact O-N 3.38Å; A32-C36 PolarHBondContact O-N 3.22Å; A32-C36 PolarHBondContact O-SG 3.21Å |
| 33 | G | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F29 Q30 C36 I37 | F29-G33 PolarHBondContact O-N 3.13Å; Q30-G33 PolarHBondContact O-N 2.79Å; G33-C36 WeakPolarHBondContact O-CB 3.31Å; G33-C36 PolarHBondContact O-N 3.2Å; G33-I37 WeakPolarHBondContact O-CG1 3.36Å; G33-I37 PolarHBondContact O-N 3.1Å; G33-I37 VanDerWaalsContact O-N 3.12Å |
| 34 | Q | 92.8 | Very high | 90.6 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 173.2 | 179.1 | 175.1 | -7.7 | 0 | 0 | 111.1 | Q30 L31 C36 I37 E38 P68 | Q30-Q34 VanDerWaalsContact O-CB 3.3Å; Q30-Q34 WeakPolarHBondContact O-CB 3.37Å; Q30-Q34 PolarHBondContact O-N 3.2Å; L31-Q34 PolarHBondContact O-N 2.91Å; Q34-C36 VanDerWaalsContact C-N 3.28Å; Q34-C36 PolarHBondContact O-N 3.45Å; Q34-I37 WeakPolarHBondContact O-CB 3.47Å; Q34-I37 PolarHBondContact O-N 2.84Å; Q34-E38 HydrophobicContact CG-CG 4.35Å; Q34-E38 VanDerWaalsContact CG-OE1 3.26Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.36Å; Q34-E38 PolarHBondContact NE2-OE1 2.94Å; Q34-E38 WeakPolarHBondContact O-CG 3.41Å; Q34-E38 PolarHBondContact O-N 3.01Å; Q34-P68 HydrophobicContact CB-CB 4.14Å; Q34-P68 HydrophobicContact CB-CG 3.92Å; Q34-P68 HydrophobicContact CG-CB 4.21Å; Q34-P68 HydrophobicContact CG-CG 4.19Å |
| 35 | R | 92.7 | Very high | 90.8 | Very high | 106 Ų | 106 | 46.5 Ų | 46.5 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 174.9 | -72.6 | 179.2 | -177.6 | 160.8 | 2.9 | 112.3 | A2 E5 L31 A32 I37 E38 E39 | A2-R35 HydrophobicContact CB-CB 3.59Å; E5-R35 IonicContact OE1-NH1 3.47Å; E5-R35 PolarHBondContact OE1-NH1 3.03Å; E5-R35 VanDerWaalsContact OE1-NH1 3.16Å; E5-R35 IonicContact OE2-CZ 3.59Å; E5-R35 IonicContact OE2-NH1 3.59Å; E5-R35 PolarHBondContact OE2-NH1 3.44Å; L31-R35 WeakPolarHBondContact O-CG 3.48Å; L31-R35 PolarHBondContact O-N 3.37Å; A32-R35 PolarHBondContact O-N 3.38Å; R35-I37 VanDerWaalsContact C-N 3.29Å; R35-I37 PolarHBondContact O-N 3.07Å; R35-E38 PolarHBondContact O-N 3.38Å; R35-E39 VanDerWaalsContact O-CB 3.28Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 2.87Å |
| 36 | C | 91.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 174.6 | -67.4 | 0 | 0 | 0 | 0 | 112 | A2 A32 G33 Q34 G40 H41 | A2-C36 VanDerWaalsContact C-SG 3.54Å; A32-C36 PolarHBondContact O-N 3.22Å; A32-C36 PolarHBondContact O-SG 3.21Å; G33-C36 WeakPolarHBondContact O-CB 3.31Å; G33-C36 PolarHBondContact O-N 3.2Å; Q34-C36 VanDerWaalsContact C-N 3.28Å; Q34-C36 PolarHBondContact O-N 3.45Å; C36-G40 PolarHBondContact O-N 2.99Å; C36-H41 HydrophobicContact CB-CB 4.3Å; C36-H41 WeakPolarHBondContact O-CA 3.34Å; C36-H41 WeakPolarHBondContact O-CB 3.44Å; C36-H41 PolarHBondContact O-N 3.5Å |
| 37 | I | 89.4 | Confident | 91.1 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.6 | -38.9 | 178.3 | -64.3 | 162.8 | 0 | 0 | 0 | 111.4 | G33 Q34 R35 G40 L45 P68 V69 C72 | G33-I37 WeakPolarHBondContact O-CG1 3.36Å; G33-I37 PolarHBondContact O-N 3.1Å; G33-I37 VanDerWaalsContact O-N 3.12Å; Q34-I37 WeakPolarHBondContact O-CB 3.47Å; Q34-I37 PolarHBondContact O-N 2.84Å; R35-I37 VanDerWaalsContact C-N 3.29Å; R35-I37 PolarHBondContact O-N 3.07Å; I37-G40 PolarHBondContact O-N 3.28Å; I37-L45 HydrophobicContact CD1-CD2 3.91Å; I37-L45 HydrophobicContact CG1-CD2 3.63Å; I37-P68 HydrophobicContact CD1-CB 3.67Å; I37-V69 HydrophobicContact CD1-CG2 3.69Å; I37-C72 HydrophobicContact CG2-CB 3.78Å |
| 38 | E | 87 | Confident | 91.2 | Very high | 124 Ų | 124 | 50.7 Ų | 50.7 | 58% | 0.579 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -71.5 | -41.8 | 179.6 | -70.9 | 172.8 | 179.5 | 0 | 0 | 112.4 | Q34 R35 G40 | Q34-E38 HydrophobicContact CG-CG 4.35Å; Q34-E38 VanDerWaalsContact CG-OE1 3.26Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.36Å; Q34-E38 PolarHBondContact NE2-OE1 2.94Å; Q34-E38 WeakPolarHBondContact O-CG 3.41Å; Q34-E38 PolarHBondContact O-N 3.01Å; R35-E38 PolarHBondContact O-N 3.38Å; E38-G40 PolarHBondContact O-N 3.14Å |
| 39 | E | 88.4 | Confident | 91.2 | Very high | 98 Ų | 98 | 47.5 Ų | 47.5 | 46% | 0.458 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -5.5 | 176 | -69.4 | 179.2 | -165.7 | 0 | 0 | 113 | A2 R35 H41 | A2-E39 VanDerWaalsContact CB-OE2 3.32Å; A2-E39 WeakPolarHBondContact CB-OE2 3.24Å; A2-E39 PolarHBondContact N-OE2 3.45Å; R35-E39 VanDerWaalsContact O-CB 3.28Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 2.87Å; E39-H41 VanDerWaalsContact CB-CD2 3.49Å; E39-H41 WeakPolarHBondContact CB-CD2 3.49Å; E39-H41 IonicContact OE2-CD2 2.8Å; E39-H41 IonicContact OE2-NE2 2.71Å |
| 40 | G | 85 | Confident | 91.1 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 34% | 0.34 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 11.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C36 I37 E38 I42 | C36-G40 PolarHBondContact O-N 2.99Å; I37-G40 PolarHBondContact O-N 3.28Å; E38-G40 PolarHBondContact O-N 3.14Å; G40-I42 PolarHBondContact O-N 2.92Å |
| 41 | H | 89.6 | Confident | 91 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | trans | -81.9 | 44.3 | 179 | -64.1 | -55.3 | 0 | 0 | 0 | 113.1 | V3 C36 E39 Q44 L45 | V3-H41 HydrophobicContact CG2-CB 3.47Å; V3-H41 VanDerWaalsContact CG2-CB 3.47Å; C36-H41 HydrophobicContact CB-CB 4.3Å; C36-H41 WeakPolarHBondContact O-CA 3.34Å; C36-H41 WeakPolarHBondContact O-CB 3.44Å; C36-H41 PolarHBondContact O-N 3.5Å; E39-H41 VanDerWaalsContact CB-CD2 3.49Å; E39-H41 WeakPolarHBondContact CB-CD2 3.49Å; E39-H41 IonicContact OE2-CD2 2.8Å; E39-H41 IonicContact OE2-NE2 2.71Å; H41-Q44 VanDerWaalsContact CB-OE1 3.23Å; H41-Q44 VanDerWaalsContact CG-OE1 3.3Å; H41-Q44 PolarHBondContact ND1-OE1 3.34Å; H41-L45 PolarHBondContact O-N 3.36Å | ||
| 42 | I | 88.6 | Confident | 90.8 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72 | -39.2 | -171.1 | -55.3 | 167.8 | 0 | 0 | 0 | 111.4 | G40 Q44 L45 L46 K82 V85 I89 | G40-I42 PolarHBondContact O-N 2.92Å; I42-Q44 PolarHBondContact O-N 3.19Å; I42-L45 WeakPolarHBondContact O-CB 3.26Å; I42-L45 PolarHBondContact O-N 3.11Å; I42-L46 PolarHBondContact O-N 3.24Å; I42-K82 HydrophobicContact CD1-CB 3.94Å; I42-K82 HydrophobicContact CD1-CD 4.49Å; I42-K82 HydrophobicContact CD1-CG 4.24Å; I42-V85 HydrophobicContact CB-CG1 4.47Å; I42-V85 HydrophobicContact CG2-CB 3.94Å; I42-V85 HydrophobicContact CG2-CG1 3.57Å; I42-I89 HydrophobicContact CG2-CD1 3.52Å |
| 43 | D | 89.2 | Confident | 90.5 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 179.9 | -59.2 | -46.5 | 0 | 0 | 0 | 111.9 | L45 L46 E47 | D43-L45 VanDerWaalsContact C-N 3.34Å; D43-L45 PolarHBondContact O-N 2.93Å; D43-L46 WeakPolarHBondContact O-CB 3.38Å; D43-L46 PolarHBondContact O-N 3.47Å; D43-E47 PolarHBondContact O-N 3.48Å |
| 44 | Q | 91 | Very high | 90.4 | Very high | 83 Ų | 83 | 63.4 Ų | 63.4 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 177.3 | -69.5 | 153.2 | -21.7 | 0 | 0 | 111.3 | V3 H41 I42 E47 I48 | V3-Q44 HydrophobicContact CG1-CB 4.19Å; V3-Q44 HydrophobicContact CG2-CB 4.34Å; H41-Q44 VanDerWaalsContact CB-OE1 3.23Å; H41-Q44 VanDerWaalsContact CG-OE1 3.3Å; H41-Q44 PolarHBondContact ND1-OE1 3.34Å; I42-Q44 PolarHBondContact O-N 3.19Å; Q44-E47 PolarHBondContact O-N 3.49Å; Q44-I48 VanDerWaalsContact O-CG1 3.29Å; Q44-I48 WeakPolarHBondContact O-CG1 3.26Å; Q44-I48 PolarHBondContact O-N 3.03Å; Q44-I48 VanDerWaalsContact O-N 3.09Å |
| 45 | L | 92.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 172.3 | -177.5 | 63.1 | 0 | 0 | 0 | 111.3 | L6 I37 H41 I42 D43 I48 I49 L65 I89 | L6-L45 HydrophobicContact CD2-CD1 3.49Å; L6-L45 VanDerWaalsContact CD2-CD1 3.49Å; I37-L45 HydrophobicContact CD1-CD2 3.91Å; I37-L45 HydrophobicContact CG1-CD2 3.63Å; H41-L45 PolarHBondContact O-N 3.36Å; I42-L45 WeakPolarHBondContact O-CB 3.26Å; I42-L45 PolarHBondContact O-N 3.11Å; D43-L45 VanDerWaalsContact C-N 3.34Å; D43-L45 PolarHBondContact O-N 2.93Å; L45-I48 PolarHBondContact O-N 2.94Å; L45-I49 HydrophobicContact CD1-CD1 4.34Å; L45-I49 HydrophobicContact CG-CD1 4.05Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.89Å; L45-L65 HydrophobicContact CD1-CD1 4.12Å; L45-I89 HydrophobicContact CB-CD1 4.38Å; L45-I89 HydrophobicContact CD2-CD1 4.18Å; L45-I89 HydrophobicContact CG-CD1 4.29Å |
| 46 | L | 92.9 | Very high | 90.2 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 175.7 | 178.6 | 62.4 | 0 | 0 | 0 | 111.8 | I42 D43 I48 I49 Q50 V85 I89 L92 | I42-L46 PolarHBondContact O-N 3.24Å; D43-L46 WeakPolarHBondContact O-CB 3.38Å; D43-L46 PolarHBondContact O-N 3.47Å; L46-I48 VanDerWaalsContact C-N 3.31Å; L46-I48 PolarHBondContact O-N 3Å; L46-I49 PolarHBondContact O-N 2.94Å; L46-Q50 HydrophobicContact CD1-CG 4.11Å; L46-Q50 HydrophobicContact CG-CG 4.44Å; L46-Q50 WeakPolarHBondContact O-CG 3.32Å; L46-Q50 PolarHBondContact O-N 3.47Å; L46-V85 HydrophobicContact CB-CG1 4.33Å; L46-V85 HydrophobicContact CD2-CG1 3.87Å; L46-I89 HydrophobicContact CB-CD1 4.14Å; L46-I89 HydrophobicContact CB-CG1 3.94Å; L46-I89 HydrophobicContact CD1-CG1 3.81Å; L46-I89 HydrophobicContact CG-CG1 4.43Å; L46-L92 HydrophobicContact CD1-CD1 3.32Å |
| 47 | E | 92.9 | Very high | 90.2 | Very high | 133 Ų | 133 | 64.9 Ų | 64.9 | 62% | 0.621 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.6 | -40.4 | 175.8 | -73.3 | -179.6 | -177.9 | 0 | 0 | 112.3 | D43 Q44 Q50 N51 | D43-E47 PolarHBondContact O-N 3.48Å; Q44-E47 PolarHBondContact O-N 3.49Å; E47-Q50 PolarHBondContact O-N 3.18Å; E47-N51 PolarHBondContact O-N 3.41Å |
| 48 | I | 92 | Very high | 90.4 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.1 | -70.2 | 167.6 | 0 | 0 | 0 | 110.6 | L6 Q7 I10 Q44 L45 L46 N51 N54 | L6-I48 HydrophobicContact CD2-CD1 3.9Å; L6-I48 HydrophobicContact CG-CD1 4.35Å; Q7-I48 HydrophobicContact CG-CD1 3.95Å; I10-I48 HydrophobicContact CG1-CG2 4.2Å; Q44-I48 VanDerWaalsContact O-CG1 3.29Å; Q44-I48 WeakPolarHBondContact O-CG1 3.26Å; Q44-I48 PolarHBondContact O-N 3.03Å; Q44-I48 VanDerWaalsContact O-N 3.09Å; L45-I48 PolarHBondContact O-N 2.94Å; L46-I48 VanDerWaalsContact C-N 3.31Å; L46-I48 PolarHBondContact O-N 3Å; I48-N51 PolarHBondContact O-N 2.78Å; I48-N54 PolarHBondContact O-ND2 3.2Å |
| 49 | I | 91.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.9 | -37.8 | -179.4 | -68.4 | 169.6 | 0 | 0 | 0 | 111.6 | L45 L46 N51 I58 L65 I89 L92 L93 L96 | L45-I49 HydrophobicContact CD1-CD1 4.34Å; L45-I49 HydrophobicContact CG-CD1 4.05Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.89Å; L46-I49 PolarHBondContact O-N 2.94Å; I49-N51 VanDerWaalsContact C-N 3.27Å; I49-N51 PolarHBondContact O-N 3.28Å; I49-I58 HydrophobicContact CG1-CD1 4.13Å; I49-I58 HydrophobicContact CG2-CG2 4.31Å; I49-L65 HydrophobicContact CD1-CD1 4.46Å; I49-I89 HydrophobicContact CD1-CG1 4.48Å; I49-I89 HydrophobicContact CD1-CG2 3.66Å; I49-L92 HydrophobicContact CG2-CB 4.09Å; I49-L92 HydrophobicContact CG2-CD1 4.47Å; I49-L93 HydrophobicContact CD1-CD2 4.15Å; I49-L96 HydrophobicContact CG2-CD1 4.17Å |
| 50 | Q | 92.4 | Very high | 90.7 | Very high | 112 Ų | 112 | 59.2 Ų | 59.2 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.1 | -16.6 | 179.7 | -72.3 | 178.5 | -12.2 | 0 | 0 | 113.7 | L46 E47 E52 L92 | L46-Q50 HydrophobicContact CD1-CG 4.11Å; L46-Q50 HydrophobicContact CG-CG 4.44Å; L46-Q50 WeakPolarHBondContact O-CG 3.32Å; L46-Q50 PolarHBondContact O-N 3.47Å; E47-Q50 PolarHBondContact O-N 3.18Å; Q50-E52 PolarHBondContact O-N 3.02Å; Q50-L92 HydrophobicContact CG-CD1 3.9Å |
| 51 | N | 91.8 | Very high | 91.1 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | trans | -70.2 | 116.1 | -178.3 | -168.6 | -26.9 | 0 | 0 | 0 | 111.1 | E47 I48 I49 K53 N54 | E47-N51 PolarHBondContact O-N 3.41Å; I48-N51 PolarHBondContact O-N 2.78Å; I49-N51 VanDerWaalsContact C-N 3.27Å; I49-N51 PolarHBondContact O-N 3.28Å; N51-K53 PolarHBondContact O-N 3.14Å; N51-K53 WeakPolarHBondContact OD1-CB 3.38Å; N51-K53 PolarHBondContact OD1-N 3.29Å; N51-K53 VanDerWaalsContact OD1-N 3.08Å; N51-N54 WeakPolarHBondContact O-CB 3.32Å; N51-N54 PolarHBondContact O-N 3.03Å | ||
| 52 | E | 88.3 | Confident | 91.2 | Very high | 143 Ų | 143 | 54.9 Ų | 54.9 | 67% | 0.668 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -55.2 | -26.9 | 179.6 | -72.4 | -68.7 | 156.8 | 0 | 0 | 113.5 | Q50 N54 K55 | Q50-E52 PolarHBondContact O-N 3.02Å; E52-N54 PolarHBondContact O-N 3.16Å; E52-K55 WeakPolarHBondContact O-CB 3.5Å; E52-K55 PolarHBondContact O-N 3.07Å; E52-K55 IonicContact OE2-NZ 3.76Å |
| 53 | K | 88.6 | Confident | 91.4 | Very high | 164 Ų | 164 | 57.8 Ų | 57.8 | 71% | 0.713 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -64.7 | -22.2 | 175.6 | -63.6 | -175.6 | -179.9 | -178.9 | 0 | 113 | N51 | N51-K53 PolarHBondContact O-N 3.14Å; N51-K53 WeakPolarHBondContact OD1-CB 3.38Å; N51-K53 PolarHBondContact OD1-N 3.29Å; N51-K53 VanDerWaalsContact OD1-N 3.08Å |
| 54 | N | 90.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -96.5 | -2.3 | -176.6 | -59.5 | -18.4 | 0 | 0 | 0 | 112.4 | I10 Q14 I48 N51 E52 V56 I57 I58 | I10-N54 VanDerWaalsContact CG2-OD1 3.29Å; I10-N54 WeakPolarHBondContact CG2-OD1 3.27Å; Q14-N54 PolarHBondContact NE2-OD1 3.42Å; I48-N54 PolarHBondContact O-ND2 3.2Å; N51-N54 WeakPolarHBondContact O-CB 3.32Å; N51-N54 PolarHBondContact O-N 3.03Å; E52-N54 PolarHBondContact O-N 3.16Å; N54-V56 VanDerWaalsContact C-N 3.3Å; N54-V56 PolarHBondContact O-N 2.82Å; N54-V56 VanDerWaalsContact O-N 3.16Å; N54-I57 WeakPolarHBondContact O-CA 3.45Å; N54-I57 WeakPolarHBondContact O-CB 3.47Å; N54-I57 PolarHBondContact O-N 3.18Å; N54-I58 HydrophobicContact CB-CG1 4.13Å; N54-I58 WeakPolarHBondContact O-CG1 3.35Å; N54-I58 PolarHBondContact O-N 2.93Å |
| 55 | K | 89.4 | Confident | 91.8 | Very high | 116 Ų | 116 | 49.8 Ų | 49.8 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -53.5 | -41.9 | -169.5 | -173.3 | 175.9 | -172.5 | 166.9 | 0 | 114.2 | E52 I58 K59 | E52-K55 WeakPolarHBondContact O-CB 3.5Å; E52-K55 PolarHBondContact O-N 3.07Å; E52-K55 IonicContact OE2-NZ 3.76Å; K55-I58 PolarHBondContact O-N 3.03Å; K55-K59 WeakPolarHBondContact O-CB 3.43Å; K55-K59 PolarHBondContact O-N 3.27Å |
| 56 | V | 90.3 | Very high | 91.8 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 39% | 0.394 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | E18 F21 N54 K59 N60 | E18-V56 HydrophobicContact CG-CG1 3.33Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.3Å; F21-V56 HydrophobicContact CE2-CG1 4.44Å; F21-V56 HydrophobicContact CZ-CG1 4.37Å; N54-V56 VanDerWaalsContact C-N 3.3Å; N54-V56 PolarHBondContact O-N 2.82Å; N54-V56 VanDerWaalsContact O-N 3.16Å; V56-K59 PolarHBondContact O-N 3.03Å; V56-N60 PolarHBondContact O-N 3.45Å |
| 57 | I | 91.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.1 | -46.6 | 178 | -55.4 | 165.4 | 0 | 0 | 0 | 109.8 | I10 C13 Q14 F21 N54 K59 N60 M61 | I10-I57 HydrophobicContact CD1-CB 4.33Å; I10-I57 HydrophobicContact CD1-CD1 4.04Å; I10-I57 HydrophobicContact CD1-CG2 3.7Å; I10-I57 HydrophobicContact CG2-CD1 4.14Å; I10-I57 WeakPolarHBondContact O-CD1 3.19Å; C13-I57 HydrophobicContact CB-CD1 3.8Å; C13-I57 HydrophobicContact CB-CG1 4.08Å; Q14-I57 HydrophobicContact CB-CD1 4.48Å; Q14-I57 HydrophobicContact CG-CD1 3.76Å; F21-I57 HydrophobicContact CZ-CG1 4.3Å; N54-I57 WeakPolarHBondContact O-CA 3.45Å; N54-I57 WeakPolarHBondContact O-CB 3.47Å; N54-I57 PolarHBondContact O-N 3.18Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.37Å; I57-N60 PolarHBondContact O-N 3.23Å; I57-M61 HydrophobicContact CG2-CB 4.28Å; I57-M61 HydrophobicContact CG2-CG 4.32Å; I57-M61 HydrophobicContact CG2-SD 3.87Å; I57-M61 WeakPolarHBondContact O-CA 3.32Å; I57-M61 WeakPolarHBondContact O-CB 3.49Å; I57-M61 PolarHBondContact O-N 3.47Å |
| 58 | I | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 178.2 | -58.4 | -51.1 | 0 | 0 | 0 | 111.2 | F29 I49 N54 K55 N60 G62 L93 L96 C97 | F29-I58 HydrophobicContact CZ-CD1 4.2Å; I49-I58 HydrophobicContact CG1-CD1 4.13Å; I49-I58 HydrophobicContact CG2-CG2 4.31Å; N54-I58 HydrophobicContact CB-CG1 4.13Å; N54-I58 WeakPolarHBondContact O-CG1 3.35Å; N54-I58 PolarHBondContact O-N 2.93Å; K55-I58 PolarHBondContact O-N 3.03Å; I58-N60 PolarHBondContact O-N 2.91Å; I58-G62 VanDerWaalsContact O-CA 3.23Å; I58-G62 WeakPolarHBondContact O-CA 3.33Å; I58-G62 PolarHBondContact O-N 3.14Å; I58-L93 HydrophobicContact CG2-CD2 4.24Å; I58-L96 HydrophobicContact CG2-CB 3.94Å; I58-L96 HydrophobicContact CG2-CD1 4.08Å; I58-C97 PolarHBondContact O-SG 2.96Å |
| 59 | K | 92.4 | Very high | 91.6 | Very high | 84 Ų | 84 | 43 Ų | 43 | 37% | 0.365 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 175 | 179.1 | -172.1 | 165.2 | -150.5 | 0 | 111.9 | E18 K55 V56 I57 L96 N98 | E18-K59 IonicContact OE1-NZ 2.77Å; E18-K59 IonicContact OE2-NZ 3.31Å; K55-K59 WeakPolarHBondContact O-CB 3.43Å; K55-K59 PolarHBondContact O-N 3.27Å; V56-K59 PolarHBondContact O-N 3.03Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.37Å; K59-L96 WeakPolarHBondContact CA-O 3.44Å; K59-N98 PolarHBondContact O-N 3.18Å |
| 60 | N | 90.8 | Very high | 91.6 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -93.6 | -37.6 | -172.8 | -69.8 | -24.1 | 0 | 0 | 0 | 114 | E18 F21 V56 I57 I58 W63 | E18-N60 WeakPolarHBondContact CG-ND2 3.25Å; E18-N60 PolarHBondContact OE2-ND2 3.23Å; F21-N60 HydrophobicContact CD2-CB 4.3Å; F21-N60 HydrophobicContact CE2-CB 4.16Å; V56-N60 PolarHBondContact O-N 3.45Å; I57-N60 PolarHBondContact O-N 3.23Å; I58-N60 PolarHBondContact O-N 2.91Å; N60-W63 PolarHBondContact O-NE1 3.44Å; N60-W63 VanDerWaalsContact O-NE1 3.13Å |
| 61 | M | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -107.6 | -17.9 | -175.1 | -59.2 | -176.6 | 175.3 | 0 | 0 | 113.8 | F21 D25 F26 F29 I57 W63 N64 | F21-M61 HydrophobicContact CB-CE 3.68Å; F21-M61 HydrophobicContact CD1-CE 3.75Å; F21-M61 HydrophobicContact CD2-CE 3.76Å; F21-M61 HydrophobicContact CE1-CE 4.29Å; F21-M61 HydrophobicContact CE2-CE 4.28Å; F21-M61 HydrophobicContact CG-CE 3.46Å; F21-M61 VanDerWaalsContact CG-CE 3.46Å; D25-M61 HydrophobicContact CB-CE 3.75Å; F26-M61 HydrophobicContact CD1-CB 4.21Å; F26-M61 HydrophobicContact CD1-CG 3.68Å; F26-M61 HydrophobicContact CD2-CE 4.32Å; F26-M61 HydrophobicContact CE1-CB 4.43Å; F26-M61 HydrophobicContact CE1-CG 3.66Å; F26-M61 HydrophobicContact CE2-CE 4.16Å; F26-M61 HydrophobicContact CG-CG 4.28Å; F26-M61 HydrophobicContact CZ-CE 4.27Å; F26-M61 HydrophobicContact CZ-CG 4.25Å; F29-M61 HydrophobicContact CB-SD 4.44Å; F29-M61 HydrophobicContact CD1-CB 3.82Å; F29-M61 HydrophobicContact CE1-CB 4.05Å; F29-M61 WeakPolarHBondContact CE1-O 3.44Å; F29-M61 HydrophobicContact CG-CB 4.3Å; I57-M61 HydrophobicContact CG2-CB 4.28Å; I57-M61 HydrophobicContact CG2-CG 4.32Å; I57-M61 HydrophobicContact CG2-SD 3.87Å; I57-M61 WeakPolarHBondContact O-CA 3.32Å; I57-M61 WeakPolarHBondContact O-CB 3.49Å; I57-M61 PolarHBondContact O-N 3.47Å; M61-W63 PolarHBondContact O-N 3.04Å; M61-W63 VanDerWaalsContact O-N 3.13Å; M61-N64 WeakPolarHBondContact O-CB 3.47Å; M61-N64 PolarHBondContact O-N 2.94Å; M61-N64 VanDerWaalsContact O-N 3.14Å; M61-N64 PolarHBondContact O-ND2 3.47Å |
| 62 | G | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -60.2 | -27.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I58 N64 L65 | I58-G62 VanDerWaalsContact O-CA 3.23Å; I58-G62 WeakPolarHBondContact O-CA 3.33Å; I58-G62 PolarHBondContact O-N 3.14Å; G62-N64 PolarHBondContact O-N 3.11Å; G62-L65 WeakPolarHBondContact O-CB 3.41Å; G62-L65 PolarHBondContact O-N 3.39Å |
| 63 | W | 92.8 | Very high | 91.2 | Very high | 66 Ų | 66 | 33.2 Ų | 33.2 | 25% | 0.25 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -61.8 | -27.1 | 179.7 | 69.9 | -94.1 | 0 | 0 | 0 | 112.5 | N60 M61 L65 I66 C97 E101 L102 | N60-W63 PolarHBondContact O-NE1 3.44Å; N60-W63 VanDerWaalsContact O-NE1 3.13Å; M61-W63 PolarHBondContact O-N 3.04Å; M61-W63 VanDerWaalsContact O-N 3.13Å; W63-L65 PolarHBondContact O-N 3.36Å; W63-L65 VanDerWaalsContact O-N 3.16Å; W63-I66 WeakPolarHBondContact O-CB 3.29Å; W63-I66 PolarHBondContact O-N 3.31Å; W63-C97 HydrophobicContact CB-CB 4.35Å; W63-C97 PolarHBondContact N-SG 3.26Å; W63-C97 VanDerWaalsContact N-SG 3.38Å; W63-E101 HydrophobicContact CD2-CB 3.99Å; W63-E101 HydrophobicContact CG-CB 3.94Å; W63-L102 HydrophobicContact CB-CD1 3.74Å |
| 64 | N | 92.8 | Very high | 91.1 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 8% | 0.075 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -63.2 | -21 | 176 | -64.3 | -74.5 | 0 | 0 | 0 | 113.2 | Q30 M61 G62 I66 P68 | Q30-N64 HydrophobicContact CB-CB 3.91Å; Q30-N64 HydrophobicContact CG-CB 4.13Å; M61-N64 WeakPolarHBondContact O-CB 3.47Å; M61-N64 PolarHBondContact O-N 2.94Å; M61-N64 VanDerWaalsContact O-N 3.14Å; M61-N64 PolarHBondContact O-ND2 3.47Å; G62-N64 PolarHBondContact O-N 3.11Å; N64-I66 VanDerWaalsContact C-N 3.35Å; N64-P68 WeakPolarHBondContact O-CD 3.26Å |
| 65 | L | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -83.2 | -11.4 | 177 | -58.5 | -178.9 | 0 | 0 | 0 | 112.9 | F29 L45 I49 G62 W63 G67 P68 V69 L93 | F29-L65 HydrophobicContact CD1-CD2 4.42Å; F29-L65 HydrophobicContact CD1-CG 4.37Å; F29-L65 HydrophobicContact CE1-CD1 3.66Å; F29-L65 HydrophobicContact CE1-CD2 4.06Å; F29-L65 HydrophobicContact CE1-CG 3.6Å; F29-L65 HydrophobicContact CZ-CD1 3.58Å; F29-L65 HydrophobicContact CZ-CG 4.08Å; L45-L65 HydrophobicContact CD1-CD1 4.12Å; I49-L65 HydrophobicContact CD1-CD1 4.46Å; G62-L65 WeakPolarHBondContact O-CB 3.41Å; G62-L65 PolarHBondContact O-N 3.39Å; W63-L65 PolarHBondContact O-N 3.36Å; W63-L65 VanDerWaalsContact O-N 3.16Å; L65-G67 PolarHBondContact O-N 2.97Å; L65-P68 WeakPolarHBondContact O-CD 3.42Å; L65-V69 WeakPolarHBondContact O-CB 3.49Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.22Å; L65-L93 HydrophobicContact CB-CD1 3.88Å |
| 66 | I | 92.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | -178.6 | -70.6 | -135.8 | 0 | 0 | 0 | 111.1 | W63 N64 V69 V70 F90 L93 V94 L102 L106 L109 | W63-I66 WeakPolarHBondContact O-CB 3.29Å; W63-I66 PolarHBondContact O-N 3.31Å; N64-I66 VanDerWaalsContact C-N 3.35Å; I66-V69 PolarHBondContact O-N 2.91Å; I66-V70 HydrophobicContact CG2-CG2 3.87Å; I66-V70 WeakPolarHBondContact O-CB 3.28Å; I66-V70 VanDerWaalsContact O-CG2 3.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 2.96Å; I66-F90 HydrophobicContact CD1-CD2 4.23Å; I66-F90 HydrophobicContact CD1-CE2 3.97Å; I66-F90 HydrophobicContact CG2-CE2 4.07Å; I66-L93 HydrophobicContact CD1-CB 4.27Å; I66-L93 HydrophobicContact CG1-CB 4.23Å; I66-L93 HydrophobicContact CG1-CD1 4.11Å; I66-V94 HydrophobicContact CD1-CG2 4.34Å; I66-L102 HydrophobicContact CD1-CD1 3.23Å; I66-L102 HydrophobicContact CD1-CG 4.16Å; I66-L102 HydrophobicContact CG1-CD1 3.84Å; I66-L106 HydrophobicContact CD1-CD2 4.23Å; I66-L106 HydrophobicContact CG2-CD2 3.92Å; I66-L109 HydrophobicContact CG2-CD1 3.49Å; I66-L109 VanDerWaalsContact CG2-CD1 3.49Å |
| 67 | G | 91.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.3 | -55.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L65 V69 V70 R71 | L65-G67 PolarHBondContact O-N 2.97Å; G67-V69 VanDerWaalsContact C-N 3.3Å; G67-V69 PolarHBondContact O-N 3.13Å; G67-V70 PolarHBondContact O-N 3.38Å; G67-R71 WeakPolarHBondContact O-CG 3.29Å; G67-R71 PolarHBondContact O-N 3.31Å |
| 68 | P | 91.6 | Very high | 86.7 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.1 | -41.4 | 173.8 | -29.8 | 36.4 | 0 | 0 | 0 | 114.3 | Q34 I37 N64 L65 C72 | Q34-P68 HydrophobicContact CB-CB 4.14Å; Q34-P68 HydrophobicContact CB-CG 3.92Å; Q34-P68 HydrophobicContact CG-CB 4.21Å; Q34-P68 HydrophobicContact CG-CG 4.19Å; I37-P68 HydrophobicContact CD1-CB 3.67Å; N64-P68 WeakPolarHBondContact O-CD 3.26Å; L65-P68 WeakPolarHBondContact O-CD 3.42Å; P68-C72 WeakPolarHBondContact O-CB 3.35Å; P68-C72 PolarHBondContact O-N 3.26Å; P68-C72 VanDerWaalsContact O-N 3.07Å |
| 69 | V | 91.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.6 | -44.7 | 178.9 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | I37 L65 I66 G67 C72 L73 C86 I89 F90 L93 | I37-V69 HydrophobicContact CD1-CG2 3.69Å; L65-V69 WeakPolarHBondContact O-CB 3.49Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.22Å; I66-V69 PolarHBondContact O-N 2.91Å; G67-V69 VanDerWaalsContact C-N 3.3Å; G67-V69 PolarHBondContact O-N 3.13Å; V69-C72 VanDerWaalsContact O-CB 3.31Å; V69-C72 WeakPolarHBondContact O-CB 3.47Å; V69-C72 PolarHBondContact O-N 3.24Å; V69-L73 HydrophobicContact CG1-CD1 4.22Å; V69-L73 WeakPolarHBondContact O-CG 3.39Å; V69-L73 PolarHBondContact O-N 3.05Å; V69-C86 HydrophobicContact CG1-CB 4.5Å; V69-I89 HydrophobicContact CG1-CG2 4.5Å; V69-I89 HydrophobicContact CG2-CG2 3.8Å; V69-F90 HydrophobicContact CG1-CB 3.83Å; V69-F90 HydrophobicContact CG1-CD2 4.48Å; V69-L93 HydrophobicContact CG2-CD1 4.34Å |
| 70 | V | 90.9 | Very high | 84.4 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 179 | 169.2 | 0 | 0 | 0 | 0 | 111 | I66 G67 C72 L73 L74 F90 L109 L124 L125 | I66-V70 HydrophobicContact CG2-CG2 3.87Å; I66-V70 WeakPolarHBondContact O-CB 3.28Å; I66-V70 VanDerWaalsContact O-CG2 3.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 2.96Å; G67-V70 PolarHBondContact O-N 3.38Å; V70-C72 PolarHBondContact O-N 3.23Å; V70-L73 WeakPolarHBondContact O-CB 3.16Å; V70-L73 PolarHBondContact O-N 3.18Å; V70-L74 HydrophobicContact CG1-CD1 3.96Å; V70-L74 HydrophobicContact CG1-CG 4.42Å; V70-L74 WeakPolarHBondContact O-CG 3.16Å; V70-L74 PolarHBondContact O-N 2.7Å; V70-F90 HydrophobicContact CG2-CD2 4.26Å; V70-F90 HydrophobicContact CG2-CE2 3.82Å; V70-F90 HydrophobicContact CG2-CZ 4.3Å; V70-L109 HydrophobicContact CB-CD1 4.2Å; V70-L109 HydrophobicContact CG1-CD1 4.48Å; V70-L109 HydrophobicContact CG2-CD1 4.07Å; V70-L124 HydrophobicContact CG1-CD2 4.1Å; V70-L125 HydrophobicContact CG1-CD1 4.46Å; V70-L125 HydrophobicContact CG1-CD2 4.15Å; V70-L125 HydrophobicContact CG2-CD2 3.71Å |
| 71 | R | 89.3 | Confident | 83.5 | Confident | 115 Ų | 115 | 49 Ų | 49 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.5 | -38.1 | 173.6 | -70.2 | 177.5 | -172.9 | 157.2 | 2 | 111.7 | G67 L74 C75 E112 | G67-R71 WeakPolarHBondContact O-CG 3.29Å; G67-R71 PolarHBondContact O-N 3.31Å; R71-L74 PolarHBondContact O-N 3.22Å; R71-C75 PolarHBondContact O-N 3.45Å; R71-C75 VanDerWaalsContact O-N 3.16Å; R71-E112 IonicContact CZ-OE1 3.39Å; R71-E112 IonicContact CZ-OE2 3.42Å; R71-E112 IonicContact NE-OE1 2.79Å; R71-E112 IonicContact NE-OE2 3.64Å; R71-E112 IonicContact NH2-OE1 2.71Å; R71-E112 PolarHBondContact NH2-OE1 3.21Å; R71-E112 IonicContact NH2-OE2 2.66Å; R71-E112 PolarHBondContact NH2-OE2 2.94Å |
| 72 | C | 87.9 | Confident | 82.7 | Confident | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | I37 P68 V69 V70 K78 C86 | I37-C72 HydrophobicContact CG2-CB 3.78Å; P68-C72 WeakPolarHBondContact O-CB 3.35Å; P68-C72 PolarHBondContact O-N 3.26Å; P68-C72 VanDerWaalsContact O-N 3.07Å; V69-C72 VanDerWaalsContact O-CB 3.31Å; V69-C72 WeakPolarHBondContact O-CB 3.47Å; V69-C72 PolarHBondContact O-N 3.24Å; V70-C72 PolarHBondContact O-N 3.23Å; C72-K78 VanDerWaalsContact SG-CD 3.55Å; C72-K78 PolarHBondContact SG-NZ 3.06Å; C72-C86 PolarHBondContact SG-SG 2.96Å |
| 73 | L | 87.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.9 | -29.8 | 177.9 | -72.6 | 173.8 | 0 | 0 | 0 | 113.9 | V69 V70 R83 C86 F87 F90 L124 | V69-L73 HydrophobicContact CG1-CD1 4.22Å; V69-L73 WeakPolarHBondContact O-CG 3.39Å; V69-L73 PolarHBondContact O-N 3.05Å; V70-L73 WeakPolarHBondContact O-CB 3.16Å; V70-L73 PolarHBondContact O-N 3.18Å; L73-R83 HydrophobicContact CD2-CG 4.04Å; L73-R83 PolarHBondContact O-NE 3.07Å; L73-R83 PolarHBondContact O-NH2 3.28Å; L73-C86 HydrophobicContact CD2-CB 3.57Å; L73-C86 HydrophobicContact CG-CB 4.05Å; L73-F87 HydrophobicContact CD1-CD1 4.13Å; L73-F87 HydrophobicContact CD1-CE1 4.17Å; L73-F87 HydrophobicContact CD2-CD1 4.14Å; L73-F87 HydrophobicContact CD2-CD2 3.54Å; L73-F87 HydrophobicContact CD2-CE1 4.24Å; L73-F87 HydrophobicContact CD2-CE2 3.66Å; L73-F87 HydrophobicContact CD2-CG 3.79Å; L73-F87 HydrophobicContact CD2-CZ 4.01Å; L73-F90 HydrophobicContact CD1-CB 4.18Å; L73-F90 HydrophobicContact CD1-CD1 4.22Å; L73-F90 HydrophobicContact CD1-CG 4.24Å; L73-L124 HydrophobicContact CB-CD2 4.01Å; L73-L124 HydrophobicContact CD1-CD1 4.44Å; L73-L124 HydrophobicContact CD1-CD2 4.36Å |
| 74 | L | 85.7 | Confident | 81.8 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -82.8 | -20.4 | 177.6 | -66.5 | 174.8 | 0 | 0 | 0 | 112.9 | V70 R71 K76 Q120 L124 | V70-L74 HydrophobicContact CG1-CD1 3.96Å; V70-L74 HydrophobicContact CG1-CG 4.42Å; V70-L74 WeakPolarHBondContact O-CG 3.16Å; V70-L74 PolarHBondContact O-N 2.7Å; R71-L74 PolarHBondContact O-N 3.22Å; L74-K76 PolarHBondContact O-N 2.85Å; L74-Q120 HydrophobicContact CD2-CB 3.86Å; L74-L124 HydrophobicContact CD2-CD2 3.86Å; L74-L124 HydrophobicContact CG-CD2 4.03Å |
| 75 | C | 81.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 33% | 0.331 | 31% | 0.307 | S | S | . | . | trans | -68.2 | 119.5 | 176.3 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | R71 D77 | R71-C75 PolarHBondContact O-N 3.45Å; R71-C75 VanDerWaalsContact O-N 3.16Å; C75-D77 VanDerWaalsContact C-N 3.32Å; C75-D77 PolarHBondContact O-N 3.22Å | ||
| 76 | K | 65.3 | Low | 81.2 | Confident | 163 Ų | 163 | 62.1 Ų | 62.1 | 71% | 0.709 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -11.1 | -175 | -66.7 | -173.5 | 178.6 | -177.8 | 0 | 114.6 | L74 | L74-K76 PolarHBondContact O-N 2.85Š|
| 77 | D | 61.3 | Low | 81.1 | Confident | 155 Ų | 155 | 65.6 Ų | 65.6 | 83% | 0.829 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 6.6 | -169.2 | -59.5 | -37.1 | 0 | 0 | 0 | 114.4 | C75 | C75-D77 VanDerWaalsContact C-N 3.32Å; C75-D77 PolarHBondContact O-N 3.22Å |
| 78 | K | 61.7 | Low | 81.1 | Confident | 71 Ų | 71 | 69.4 Ų | 69.4 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -99 | 142.8 | -176 | -66.6 | -167 | 178 | -169 | 0 | 112.8 | C72 | C72-K78 VanDerWaalsContact SG-CD 3.55Å; C72-K78 PolarHBondContact SG-NZ 3.06Å |
| 79 | E | 68.8 | Low | 81.1 | Confident | 123 Ų | 123 | 69 Ų | 69 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | trans | -52.3 | 135.8 | 174.4 | -67.4 | 169.9 | 149.5 | 0 | 0 | 111.9 | A81 K82 R83 | E79-A81 PolarHBondContact O-N 2.98Å; E79-K82 PolarHBondContact O-N 2.83Å; E79-K82 VanDerWaalsContact OE2-CE 3.29Å; E79-K82 WeakPolarHBondContact OE2-CE 3.23Å; E79-K82 IonicContact OE2-NZ 2.75Å; E79-K82 PolarHBondContact OE2-NZ 3.41Å; E79-R83 PolarHBondContact O-N 3.18Å | ||
| 80 | D | 70.9 | Confident | 81.3 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 65% | 0.647 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -52.7 | -32.5 | -178.8 | -78.2 | -29.3 | 0 | 0 | 0 | 113.7 | R83 K84 | D80-R83 PolarHBondContact O-N 3.38Å; D80-K84 WeakPolarHBondContact O-CG 3.24Å; D80-K84 PolarHBondContact O-N 3.46Å; D80-K84 VanDerWaalsContact O-N 3.17Å |
| 81 | A | 71.6 | Confident | 81.4 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 55% | 0.554 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E79 R83 K84 V85 | E79-A81 PolarHBondContact O-N 2.98Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 2.87Å; A81-K84 PolarHBondContact O-N 2.74Å; A81-V85 PolarHBondContact O-N 2.95Å |
| 82 | K | 74.9 | Confident | 81.6 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.3 | -36.1 | 178.8 | -70.9 | 175.5 | 179.7 | 146.4 | 0 | 111.4 | I42 E79 K84 V85 C86 | I42-K82 HydrophobicContact CD1-CB 3.94Å; I42-K82 HydrophobicContact CD1-CD 4.49Å; I42-K82 HydrophobicContact CD1-CG 4.24Å; E79-K82 PolarHBondContact O-N 2.83Å; E79-K82 VanDerWaalsContact OE2-CE 3.29Å; E79-K82 WeakPolarHBondContact OE2-CE 3.23Å; E79-K82 IonicContact OE2-NZ 2.75Å; E79-K82 PolarHBondContact OE2-NZ 3.41Å; K82-K84 VanDerWaalsContact C-N 3.35Å; K82-K84 PolarHBondContact O-N 3.4Å; K82-V85 PolarHBondContact O-N 3.34Å; K82-C86 PolarHBondContact O-N 3.41Å; K82-C86 PolarHBondContact O-SG 3.22Å |
| 83 | R | 81.3 | Confident | 81.9 | Confident | 102 Ų | 102 | 69.1 Ų | 69.1 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 175.9 | -163.4 | 175.7 | -171.3 | -174.7 | 2.5 | 112.2 | L73 E79 D80 A81 C86 F87 | L73-R83 HydrophobicContact CD2-CG 4.04Å; L73-R83 PolarHBondContact O-NE 3.07Å; L73-R83 PolarHBondContact O-NH2 3.28Å; E79-R83 PolarHBondContact O-N 3.18Å; D80-R83 PolarHBondContact O-N 3.38Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 2.87Å; R83-C86 PolarHBondContact O-N 2.98Å; R83-F87 HydrophobicContact CG-CD2 4.22Å; R83-F87 HydrophobicContact CG-CE2 4.04Å; R83-F87 VanDerWaalsContact O-CD2 3.3Å; R83-F87 WeakPolarHBondContact O-CD2 3.47Å; R83-F87 PolarHBondContact O-N 3.36Å |
| 84 | K | 85.3 | Confident | 82.2 | Confident | 147 Ų | 147 | 69.4 Ų | 69.4 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 175 | -71.3 | 173.3 | -175.4 | 179.8 | 0 | 112.3 | D80 A81 K82 F87 L88 | D80-K84 WeakPolarHBondContact O-CG 3.24Å; D80-K84 PolarHBondContact O-N 3.46Å; D80-K84 VanDerWaalsContact O-N 3.17Å; A81-K84 PolarHBondContact O-N 2.74Å; K82-K84 VanDerWaalsContact C-N 3.35Å; K82-K84 PolarHBondContact O-N 3.4Å; K84-F87 WeakPolarHBondContact O-CB 3.36Å; K84-F87 PolarHBondContact O-N 2.88Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.49Å |
| 85 | V | 86.5 | Confident | 82.6 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 177.7 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | I42 L46 A81 K82 F87 L88 I89 | I42-V85 HydrophobicContact CB-CG1 4.47Å; I42-V85 HydrophobicContact CG2-CB 3.94Å; I42-V85 HydrophobicContact CG2-CG1 3.57Å; L46-V85 HydrophobicContact CB-CG1 4.33Å; L46-V85 HydrophobicContact CD2-CG1 3.87Å; A81-V85 PolarHBondContact O-N 2.95Å; K82-V85 PolarHBondContact O-N 3.34Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 2.97Å; V85-L88 WeakPolarHBondContact O-CB 3.45Å; V85-L88 PolarHBondContact O-N 3.35Å; V85-I89 HydrophobicContact CG1-CD1 4.45Å; V85-I89 WeakPolarHBondContact O-CG1 3.1Å; V85-I89 PolarHBondContact O-N 2.92Å |
| 86 | C | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 172.6 | -71.6 | 0 | 0 | 0 | 0 | 113.1 | V69 C72 L73 K82 R83 I89 F90 | V69-C86 HydrophobicContact CG1-CB 4.5Å; C72-C86 PolarHBondContact SG-SG 2.96Å; L73-C86 HydrophobicContact CD2-CB 3.57Å; L73-C86 HydrophobicContact CG-CB 4.05Å; K82-C86 PolarHBondContact O-N 3.41Å; K82-C86 PolarHBondContact O-SG 3.22Å; R83-C86 PolarHBondContact O-N 2.98Å; C86-I89 PolarHBondContact O-N 2.88Å; C86-F90 WeakPolarHBondContact O-CB 3.4Å; C86-F90 PolarHBondContact O-N 3.36Å |
| 87 | F | 89.3 | Confident | 84.5 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.6 | -88.6 | -68.7 | 0 | 0 | 0 | 111.6 | L73 R83 K84 V85 I89 F90 D91 L124 | L73-F87 HydrophobicContact CD1-CD1 4.13Å; L73-F87 HydrophobicContact CD1-CE1 4.17Å; L73-F87 HydrophobicContact CD2-CD1 4.14Å; L73-F87 HydrophobicContact CD2-CD2 3.54Å; L73-F87 HydrophobicContact CD2-CE1 4.24Å; L73-F87 HydrophobicContact CD2-CE2 3.66Å; L73-F87 HydrophobicContact CD2-CG 3.79Å; L73-F87 HydrophobicContact CD2-CZ 4.01Å; R83-F87 HydrophobicContact CG-CD2 4.22Å; R83-F87 HydrophobicContact CG-CE2 4.04Å; R83-F87 VanDerWaalsContact O-CD2 3.3Å; R83-F87 WeakPolarHBondContact O-CD2 3.47Å; R83-F87 PolarHBondContact O-N 3.36Å; K84-F87 WeakPolarHBondContact O-CB 3.36Å; K84-F87 PolarHBondContact O-N 2.88Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 2.97Å; F87-I89 VanDerWaalsContact C-N 3.35Å; F87-I89 PolarHBondContact O-N 3.45Å; F87-F90 WeakPolarHBondContact O-CB 3.47Å; F87-F90 PolarHBondContact O-N 3.45Å; F87-D91 PolarHBondContact O-N 2.91Å; F87-L124 HydrophobicContact CE1-CD1 3.67Å; F87-L124 HydrophobicContact CZ-CD1 4.04Å |
| 88 | L | 92 | Very high | 86 | Confident | 93 Ų | 93 | 62 Ų | 62 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.8 | -68.9 | 170.5 | 0 | 0 | 0 | 112.3 | K84 V85 F90 L92 | K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.49Å; V85-L88 WeakPolarHBondContact O-CB 3.45Å; V85-L88 PolarHBondContact O-N 3.35Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-L92 WeakPolarHBondContact O-CB 3.47Å; L88-L92 WeakPolarHBondContact O-CD1 3.47Å; L88-L92 WeakPolarHBondContact O-CG 3.27Å; L88-L92 PolarHBondContact O-N 3.49Å |
| 89 | I | 93.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 174.3 | -70.2 | 173.5 | 0 | 0 | 0 | 110 | I42 L45 L46 I49 V69 V85 C86 F87 D91 L92 L93 | I42-I89 HydrophobicContact CG2-CD1 3.52Å; L45-I89 HydrophobicContact CB-CD1 4.38Å; L45-I89 HydrophobicContact CD2-CD1 4.18Å; L45-I89 HydrophobicContact CG-CD1 4.29Å; L46-I89 HydrophobicContact CB-CD1 4.14Å; L46-I89 HydrophobicContact CB-CG1 3.94Å; L46-I89 HydrophobicContact CD1-CG1 3.81Å; L46-I89 HydrophobicContact CG-CG1 4.43Å; I49-I89 HydrophobicContact CD1-CG1 4.48Å; I49-I89 HydrophobicContact CD1-CG2 3.66Å; V69-I89 HydrophobicContact CG1-CG2 4.5Å; V69-I89 HydrophobicContact CG2-CG2 3.8Å; V85-I89 HydrophobicContact CG1-CD1 4.45Å; V85-I89 WeakPolarHBondContact O-CG1 3.1Å; V85-I89 PolarHBondContact O-N 2.92Å; C86-I89 PolarHBondContact O-N 2.88Å; F87-I89 VanDerWaalsContact C-N 3.35Å; F87-I89 PolarHBondContact O-N 3.45Å; I89-D91 PolarHBondContact O-N 3.18Å; I89-L92 PolarHBondContact O-N 3.32Å; I89-L93 HydrophobicContact CG2-CD1 3.94Å; I89-L93 HydrophobicContact CG2-CG 4.25Å; I89-L93 WeakPolarHBondContact O-CG 3.22Å; I89-L93 PolarHBondContact O-N 2.99Å |
| 90 | F | 94.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -49 | 179.8 | -177 | -127.7 | 0 | 0 | 0 | 111.9 | I66 V69 V70 L73 C86 F87 L88 L92 L93 V94 L106 L125 P128 | I66-F90 HydrophobicContact CD1-CD2 4.23Å; I66-F90 HydrophobicContact CD1-CE2 3.97Å; I66-F90 HydrophobicContact CG2-CE2 4.07Å; V69-F90 HydrophobicContact CG1-CB 3.83Å; V69-F90 HydrophobicContact CG1-CD2 4.48Å; V70-F90 HydrophobicContact CG2-CD2 4.26Å; V70-F90 HydrophobicContact CG2-CE2 3.82Å; V70-F90 HydrophobicContact CG2-CZ 4.3Å; L73-F90 HydrophobicContact CD1-CB 4.18Å; L73-F90 HydrophobicContact CD1-CD1 4.22Å; L73-F90 HydrophobicContact CD1-CG 4.24Å; C86-F90 WeakPolarHBondContact O-CB 3.4Å; C86-F90 PolarHBondContact O-N 3.36Å; F87-F90 WeakPolarHBondContact O-CB 3.47Å; F87-F90 PolarHBondContact O-N 3.45Å; L88-F90 VanDerWaalsContact C-N 3.34Å; F90-L92 VanDerWaalsContact C-N 3.3Å; F90-L92 PolarHBondContact O-N 3.12Å; F90-L93 PolarHBondContact O-N 3.29Å; F90-V94 HydrophobicContact CD2-CG2 4.35Å; F90-V94 HydrophobicContact CE2-CG2 4.12Å; F90-V94 HydrophobicContact CZ-CG2 4.33Å; F90-V94 WeakPolarHBondContact O-CG2 3.23Å; F90-V94 PolarHBondContact O-N 3.24Å; F90-L106 HydrophobicContact CE2-CD2 4.2Å; F90-L106 HydrophobicContact CZ-CD2 4.31Å; F90-L125 HydrophobicContact CE2-CD2 4.28Å; F90-L125 HydrophobicContact CZ-CD2 3.69Å; F90-P128 HydrophobicContact CD1-CG 4.43Å; F90-P128 HydrophobicContact CE1-CB 4.1Å; F90-P128 HydrophobicContact CE1-CG 3.28Å; F90-P128 HydrophobicContact CZ-CB 3.76Å; F90-P128 HydrophobicContact CZ-CG 3.4Å |
| 91 | D | 93.4 | Very high | 89.6 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 176.9 | -71.7 | -19 | 0 | 0 | 0 | 112.1 | F87 I89 V94 K95 | F87-D91 PolarHBondContact O-N 2.91Å; I89-D91 PolarHBondContact O-N 3.18Å; D91-V94 PolarHBondContact O-N 3.28Å; D91-K95 WeakPolarHBondContact O-CB 3.25Å; D91-K95 PolarHBondContact O-N 3.47Å |
| 92 | L | 93.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 175.9 | -80.7 | 163.6 | 0 | 0 | 0 | 111.9 | L46 I49 Q50 L88 I89 F90 K95 L96 | L46-L92 HydrophobicContact CD1-CD1 3.32Å; I49-L92 HydrophobicContact CG2-CB 4.09Å; I49-L92 HydrophobicContact CG2-CD1 4.47Å; Q50-L92 HydrophobicContact CG-CD1 3.9Å; L88-L92 WeakPolarHBondContact O-CB 3.47Å; L88-L92 WeakPolarHBondContact O-CD1 3.47Å; L88-L92 WeakPolarHBondContact O-CG 3.27Å; L88-L92 PolarHBondContact O-N 3.49Å; I89-L92 PolarHBondContact O-N 3.32Å; F90-L92 VanDerWaalsContact C-N 3.3Å; F90-L92 PolarHBondContact O-N 3.12Å; L92-K95 WeakPolarHBondContact O-CB 3.42Å; L92-K95 PolarHBondContact O-N 3.22Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L92-L96 HydrophobicContact CD2-CD1 4.3Å; L92-L96 WeakPolarHBondContact O-CB 3.1Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.34Å |
| 93 | L | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 176.6 | -68.5 | 176.4 | 0 | 0 | 0 | 110.8 | I49 I58 L65 I66 V69 I89 F90 K95 L96 C97 | I49-L93 HydrophobicContact CD1-CD2 4.15Å; I58-L93 HydrophobicContact CG2-CD2 4.24Å; L65-L93 HydrophobicContact CB-CD1 3.88Å; I66-L93 HydrophobicContact CD1-CB 4.27Å; I66-L93 HydrophobicContact CG1-CB 4.23Å; I66-L93 HydrophobicContact CG1-CD1 4.11Å; V69-L93 HydrophobicContact CG2-CD1 4.34Å; I89-L93 HydrophobicContact CG2-CD1 3.94Å; I89-L93 HydrophobicContact CG2-CG 4.25Å; I89-L93 WeakPolarHBondContact O-CG 3.22Å; I89-L93 PolarHBondContact O-N 2.99Å; F90-L93 PolarHBondContact O-N 3.29Å; L93-K95 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 3.08Å; L93-C97 VanDerWaalsContact O-CB 3.26Å; L93-C97 WeakPolarHBondContact O-CB 3.43Å; L93-C97 PolarHBondContact O-N 3.46Å; L93-C97 PolarHBondContact O-SG 3.2Å |
| 94 | V | 93.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -32.8 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | I66 F90 D91 P128 T131 V132 K135 | I66-V94 HydrophobicContact CD1-CG2 4.34Å; F90-V94 HydrophobicContact CD2-CG2 4.35Å; F90-V94 HydrophobicContact CE2-CG2 4.12Å; F90-V94 HydrophobicContact CZ-CG2 4.33Å; F90-V94 WeakPolarHBondContact O-CG2 3.23Å; F90-V94 PolarHBondContact O-N 3.24Å; D91-V94 PolarHBondContact O-N 3.28Å; V94-P128 HydrophobicContact CG2-CB 3.96Å; V94-T131 HydrophobicContact CG1-CG2 4.15Å; V94-V132 HydrophobicContact CG1-CG2 4.06Å; V94-K135 PolarHBondContact O-NZ 3.16Å |
| 95 | K | 92.9 | Very high | 92.6 | Very high | 157 Ų | 157 | 43.8 Ų | 43.8 | 68% | 0.683 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -76.1 | -43.1 | 178.2 | -167.2 | 171.3 | -178.8 | 177.8 | 0 | 113.3 | D91 L92 L93 K135 | D91-K95 WeakPolarHBondContact O-CB 3.25Å; D91-K95 PolarHBondContact O-N 3.47Å; L92-K95 WeakPolarHBondContact O-CB 3.42Å; L92-K95 PolarHBondContact O-N 3.22Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L93-K95 PolarHBondContact O-N 3.33Å; K95-K135 PolarHBondContact O-NZ 2.94Å |
| 96 | L | 92.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -97 | -29.2 | -165.1 | -63.2 | 175.5 | 0 | 0 | 0 | 114.4 | I49 I58 K59 L92 L93 | I49-L96 HydrophobicContact CG2-CD1 4.17Å; I58-L96 HydrophobicContact CG2-CB 3.94Å; I58-L96 HydrophobicContact CG2-CD1 4.08Å; K59-L96 WeakPolarHBondContact CA-O 3.44Å; L92-L96 HydrophobicContact CD2-CD1 4.3Å; L92-L96 WeakPolarHBondContact O-CB 3.1Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.34Å; L93-L96 PolarHBondContact O-N 3.08Å |
| 97 | C | 94.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -73.8 | 157 | -175.5 | -63.4 | 0 | 0 | 0 | 0 | 113 | I58 W63 L93 L102 | I58-C97 PolarHBondContact O-SG 2.96Å; W63-C97 HydrophobicContact CB-CB 4.35Å; W63-C97 PolarHBondContact N-SG 3.26Å; W63-C97 VanDerWaalsContact N-SG 3.38Å; L93-C97 VanDerWaalsContact O-CB 3.26Å; L93-C97 WeakPolarHBondContact O-CB 3.43Å; L93-C97 PolarHBondContact O-N 3.46Å; L93-C97 PolarHBondContact O-SG 3.2Å; C97-L102 HydrophobicContact CB-CD1 3.84Å; C97-L102 HydrophobicContact CB-CD2 4.25Å; C97-L102 HydrophobicContact CB-CG 4.49Å |
| 98 | N | 92.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.219 | 23% | 0.227 | C | C | . | . | trans | -63.6 | 123.9 | 173.2 | -178.4 | -12.5 | 0 | 0 | 0 | 110 | K59 K100 E101 L102 | K59-N98 PolarHBondContact O-N 3.18Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.49Å; N98-K100 PolarHBondContact OD1-N 3.44Å; N98-E101 WeakPolarHBondContact CB-OE2 3.39Å; N98-E101 PolarHBondContact ND2-OE1 3.39Å; N98-E101 PolarHBondContact ND2-OE2 3.17Å; N98-E101 PolarHBondContact OD1-OE2 3.49Å; N98-E101 VanDerWaalsContact OD1-OE2 3.12Å; N98-L102 VanDerWaalsContact O-CB 3.24Å; N98-L102 WeakPolarHBondContact O-CB 3.3Å; N98-L102 PolarHBondContact O-N 2.72Å | ||
| 99 | P | 92.8 | Very high | 93.8 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 20% | 0.195 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67 | -20.5 | -170.2 | 26.2 | -37.2 | 0 | 0 | 0 | 114.5 | L103 V132 K135 L136 | P99-L103 WeakPolarHBondContact O-CB 3.5Å; P99-L103 PolarHBondContact O-N 3Å; P99-V132 HydrophobicContact CB-CG1 3.9Å; P99-V132 VanDerWaalsContact O-CG1 3.23Å; P99-V132 WeakPolarHBondContact O-CG1 3.29Å; P99-K135 HydrophobicContact CB-CB 4.21Å; P99-K135 HydrophobicContact CG-CB 4.37Å; P99-L136 HydrophobicContact CB-CD2 3.73Å; P99-L136 HydrophobicContact CB-CG 4Å; P99-L136 HydrophobicContact CG-CD2 3.74Å; P99-L136 HydrophobicContact CG-CG 4.41Å |
| 100 | K | 91.8 | Very high | 93.9 | Very high | 113 Ų | 113 | 41.6 Ų | 41.6 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -70.4 | -53.1 | -178.9 | -73 | -174.6 | 178.1 | -176.7 | 0 | 111.8 | N98 L102 L103 L104 L136 | N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.49Å; N98-K100 PolarHBondContact OD1-N 3.44Å; K100-L102 VanDerWaalsContact C-N 3.31Å; K100-L103 PolarHBondContact O-N 3.26Å; K100-L104 PolarHBondContact O-N 3.32Å; K100-L136 HydrophobicContact CG-CD2 3.79Å |
| 101 | E | 92 | Very high | 93.9 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.5 | -35.4 | 179.9 | -59 | 73.6 | -163.3 | 0 | 0 | 109.8 | W63 N98 L103 L104 G105 | W63-E101 HydrophobicContact CD2-CB 3.99Å; W63-E101 HydrophobicContact CG-CB 3.94Å; N98-E101 WeakPolarHBondContact CB-OE2 3.39Å; N98-E101 PolarHBondContact ND2-OE1 3.39Å; N98-E101 PolarHBondContact ND2-OE2 3.17Å; N98-E101 PolarHBondContact OD1-OE2 3.49Å; N98-E101 VanDerWaalsContact OD1-OE2 3.12Å; E101-L103 PolarHBondContact O-N 3.07Å; E101-L104 PolarHBondContact O-N 3.28Å; E101-G105 PolarHBondContact O-N 3.31Å |
| 102 | L | 94.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.1 | -160.9 | 69.5 | 0 | 0 | 0 | 112.9 | W63 I66 C97 N98 K100 L104 G105 L106 V132 | W63-L102 HydrophobicContact CB-CD1 3.74Å; I66-L102 HydrophobicContact CD1-CD1 3.23Å; I66-L102 HydrophobicContact CD1-CG 4.16Å; I66-L102 HydrophobicContact CG1-CD1 3.84Å; C97-L102 HydrophobicContact CB-CD1 3.84Å; C97-L102 HydrophobicContact CB-CD2 4.25Å; C97-L102 HydrophobicContact CB-CG 4.49Å; N98-L102 VanDerWaalsContact O-CB 3.24Å; N98-L102 WeakPolarHBondContact O-CB 3.3Å; N98-L102 PolarHBondContact O-N 2.72Å; K100-L102 VanDerWaalsContact C-N 3.31Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.46Å; L102-G105 PolarHBondContact O-N 3.28Å; L102-L106 HydrophobicContact CG-CD1 4.41Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 VanDerWaalsContact O-CG 3.25Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 3.04Å; L102-V132 HydrophobicContact CB-CG1 4.28Å; L102-V132 HydrophobicContact CD2-CB 4.49Å; L102-V132 HydrophobicContact CD2-CG1 4.34Å; L102-V132 HydrophobicContact CD2-CG2 3.31Å; L102-V132 HydrophobicContact CG-CG2 4.01Å |
| 103 | L | 95 | Very high | 93.7 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.3 | -49.8 | 174.8 | 173.1 | 65.2 | 0 | 0 | 0 | 110.3 | P99 K100 E101 L106 L107 L129 V132 I133 L136 S142 | P99-L103 WeakPolarHBondContact O-CB 3.5Å; P99-L103 PolarHBondContact O-N 3Å; K100-L103 PolarHBondContact O-N 3.26Å; E101-L103 PolarHBondContact O-N 3.07Å; L103-L106 PolarHBondContact O-N 3.47Å; L103-L107 HydrophobicContact CD1-CD1 4.03Å; L103-L107 HydrophobicContact CD1-CG 4.23Å; L103-L107 HydrophobicContact CG-CD1 4.04Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; L103-L107 PolarHBondContact O-N 3.01Å; L103-L129 HydrophobicContact CD1-CD1 3.55Å; L103-V132 HydrophobicContact CB-CG1 4.08Å; L103-I133 HydrophobicContact CD1-CD1 4.35Å; L103-I133 HydrophobicContact CD1-CG1 3.99Å; L103-L136 HydrophobicContact CB-CD1 4.44Å; L103-L136 HydrophobicContact CD2-CD1 3.82Å; L103-S142 WeakPolarHBondContact CD2-OG 3.4Å |
| 104 | L | 94.3 | Very high | 93.5 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 56% | 0.56 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.6 | -45.6 | -178.9 | -63.4 | 175.9 | 0 | 0 | 0 | 111.8 | K100 E101 L102 L106 L107 E108 L145 | K100-L104 PolarHBondContact O-N 3.32Å; E101-L104 PolarHBondContact O-N 3.28Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.46Å; L104-L106 VanDerWaalsContact C-N 3.32Å; L104-L106 PolarHBondContact O-N 3.19Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-L107 VanDerWaalsContact O-N 3.17Å; L104-E108 PolarHBondContact O-N 2.94Å; L104-L145 HydrophobicContact CD2-CD2 4.22Å |
| 105 | G | 94 | Very high | 93.4 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -35.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E101 L102 L109 | E101-G105 PolarHBondContact O-N 3.31Å; L102-G105 PolarHBondContact O-N 3.28Å; G105-L109 WeakPolarHBondContact O-CD1 3.37Å; G105-L109 VanDerWaalsContact O-CG 3.28Å; G105-L109 WeakPolarHBondContact O-CG 3.48Å; G105-L109 PolarHBondContact O-N 3.01Å |
| 106 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 173.8 | -70.5 | 171.6 | 0 | 0 | 0 | 112.1 | I66 F90 L102 L103 L104 L109 I110 L125 P128 L129 V132 | I66-L106 HydrophobicContact CD1-CD2 4.23Å; I66-L106 HydrophobicContact CG2-CD2 3.92Å; F90-L106 HydrophobicContact CE2-CD2 4.2Å; F90-L106 HydrophobicContact CZ-CD2 4.31Å; L102-L106 HydrophobicContact CG-CD1 4.41Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 VanDerWaalsContact O-CG 3.25Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 3.04Å; L103-L106 PolarHBondContact O-N 3.47Å; L104-L106 VanDerWaalsContact C-N 3.32Å; L104-L106 PolarHBondContact O-N 3.19Å; L106-L109 PolarHBondContact O-N 3.49Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.99Å; L106-I110 VanDerWaalsContact O-N 3.13Å; L106-L125 HydrophobicContact CD2-CD2 3.95Å; L106-P128 HydrophobicContact CD1-CB 4.34Å; L106-L129 HydrophobicContact CB-CD1 3.95Å; L106-L129 HydrophobicContact CD1-CD1 4.2Å; L106-V132 HydrophobicContact CD1-CG2 3.9Å |
| 107 | L | 96.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.9 | -39 | 178.4 | -67.4 | 174.1 | 0 | 0 | 0 | 112.1 | L103 L104 L109 I110 E111 L129 L145 A146 T149 | L103-L107 HydrophobicContact CD1-CD1 4.03Å; L103-L107 HydrophobicContact CD1-CG 4.23Å; L103-L107 HydrophobicContact CG-CD1 4.04Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; L103-L107 PolarHBondContact O-N 3.01Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-L107 VanDerWaalsContact O-N 3.17Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 PolarHBondContact O-N 3.43Å; L107-I110 HydrophobicContact CD2-CD1 4.4Å; L107-I110 WeakPolarHBondContact O-CB 3.29Å; L107-I110 PolarHBondContact O-N 2.89Å; L107-I110 VanDerWaalsContact O-N 3.15Å; L107-E111 PolarHBondContact O-N 3.27Å; L107-L129 HydrophobicContact CD2-CD1 4.03Å; L107-L129 HydrophobicContact CD2-CD2 4.25Å; L107-L129 HydrophobicContact CG-CD1 4.34Å; L107-L145 HydrophobicContact CD1-CD2 3.63Å; L107-L145 HydrophobicContact CD1-CG 3.7Å; L107-A146 HydrophobicContact CD2-CB 4.14Å; L107-T149 HydrophobicContact CB-CG2 4.44Å; L107-T149 HydrophobicContact CD2-CG2 4.25Å |
| 108 | E | 94.8 | Very high | 93.3 | Very high | 127 Ų | 127 | 53 Ų | 53 | 59% | 0.593 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.5 | -42.7 | 173.6 | -173.9 | -177.1 | 169.2 | 0 | 0 | 111.3 | L104 I110 E111 E112 | L104-E108 PolarHBondContact O-N 2.94Å; E108-I110 VanDerWaalsContact C-N 3.31Å; E108-I110 PolarHBondContact O-N 2.97Å; E108-E111 PolarHBondContact O-N 3.46Å; E108-E111 VanDerWaalsContact O-N 3.1Å; E108-E112 PolarHBondContact O-N 3.28Å |
| 109 | L | 93.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.4 | -23.5 | 178.7 | -65.4 | 166.9 | 0 | 0 | 0 | 113.9 | I66 V70 G105 L106 L107 P113 L125 | I66-L109 HydrophobicContact CG2-CD1 3.49Å; I66-L109 VanDerWaalsContact CG2-CD1 3.49Å; V70-L109 HydrophobicContact CB-CD1 4.2Å; V70-L109 HydrophobicContact CG1-CD1 4.48Å; V70-L109 HydrophobicContact CG2-CD1 4.07Å; G105-L109 WeakPolarHBondContact O-CD1 3.37Å; G105-L109 VanDerWaalsContact O-CG 3.28Å; G105-L109 WeakPolarHBondContact O-CG 3.48Å; G105-L109 PolarHBondContact O-N 3.01Å; L106-L109 PolarHBondContact O-N 3.49Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 PolarHBondContact O-N 3.43Å; L109-P113 WeakPolarHBondContact O-CD 3.25Å; L109-L125 HydrophobicContact CB-CD1 3.77Å |
| 110 | I | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.5 | -34.2 | 170 | -71.3 | 165.9 | 0 | 0 | 0 | 109.8 | L106 L107 E108 P113 I122 L125 L129 T149 L150 Q153 | L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.99Å; L106-I110 VanDerWaalsContact O-N 3.13Å; L107-I110 HydrophobicContact CD2-CD1 4.4Å; L107-I110 WeakPolarHBondContact O-CB 3.29Å; L107-I110 PolarHBondContact O-N 2.89Å; L107-I110 VanDerWaalsContact O-N 3.15Å; E108-I110 VanDerWaalsContact C-N 3.31Å; E108-I110 PolarHBondContact O-N 2.97Å; I110-P113 VanDerWaalsContact O-CD 3.31Å; I110-P113 WeakPolarHBondContact O-CD 3.47Å; I110-I122 HydrophobicContact CG2-CG1 4.33Å; I110-L125 HydrophobicContact CD1-CB 4.2Å; I110-L125 HydrophobicContact CG1-CB 4.11Å; I110-L125 HydrophobicContact CG1-CD1 3.72Å; I110-L129 HydrophobicContact CD1-CD2 3.98Å; I110-T149 HydrophobicContact CG2-CG2 4.13Å; I110-L150 HydrophobicContact CD1-CD2 3.89Å; I110-L150 HydrophobicContact CD1-CG 4.48Å; I110-L150 HydrophobicContact CG2-CD2 4.13Å; I110-Q153 HydrophobicContact CG2-CB 4.41Å; I110-Q153 HydrophobicContact CG2-CG 4.17Å; I110-Q153 VanDerWaalsContact O-CG 3.31Å; I110-Q153 WeakPolarHBondContact O-CG 3.29Å |
| 111 | E | 93.9 | Very high | 93.6 | Very high | 124 Ų | 124 | 48.3 Ų | 48.3 | 58% | 0.579 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -81.7 | -29.5 | -177.7 | -167.2 | 172.6 | 176.4 | 0 | 0 | 114.2 | L107 E108 T149 Q153 | L107-E111 PolarHBondContact O-N 3.27Å; E108-E111 PolarHBondContact O-N 3.46Å; E108-E111 VanDerWaalsContact O-N 3.1Å; E111-T149 HydrophobicContact CB-CG2 4.45Å; E111-Q153 PolarHBondContact O-NE2 3.02Å |
| 112 | E | 90.8 | Very high | 93.7 | Very high | 106 Ų | 106 | 45.1 Ų | 45.1 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -57.2 | -45.9 | 179.9 | -169.8 | 179.6 | -174.3 | 0 | 0 | 116.1 | R71 E108 | R71-E112 IonicContact CZ-OE1 3.39Å; R71-E112 IonicContact CZ-OE2 3.42Å; R71-E112 IonicContact NE-OE1 2.79Å; R71-E112 IonicContact NE-OE2 3.64Å; R71-E112 IonicContact NH2-OE1 2.71Å; R71-E112 PolarHBondContact NH2-OE1 3.21Å; R71-E112 IonicContact NH2-OE2 2.66Å; R71-E112 PolarHBondContact NH2-OE2 2.94Å; E108-E112 PolarHBondContact O-N 3.28Å |
| 113 | P | 91.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | trans | -72.7 | 157.3 | -172.9 | 31.7 | -39.7 | 0 | 0 | 0 | 113.2 | L109 I110 Q117 I118 Q153 | L109-P113 WeakPolarHBondContact O-CD 3.25Å; I110-P113 VanDerWaalsContact O-CD 3.31Å; I110-P113 WeakPolarHBondContact O-CD 3.47Å; P113-Q117 HydrophobicContact CB-CB 4.05Å; P113-I118 HydrophobicContact CB-CG1 4.32Å; P113-I118 HydrophobicContact CG-CG1 4.27Å; P113-I118 WeakPolarHBondContact O-CG1 3.45Å; P113-Q153 PolarHBondContact O-OE1 2.92Å | ||
| 114 | S | 91.1 | Very high | 93.8 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | trans | -133.2 | 157.3 | 171.9 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | K116 Q117 | S114-K116 PolarHBondContact O-N 3.1Å; S114-Q117 PolarHBondContact O-N 3.32Å | ||
| 115 | G | 91.7 | Very high | 93.9 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -134.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q117 I118 L157 | G115-Q117 PolarHBondContact O-N 3.07Å; G115-Q117 VanDerWaalsContact O-N 3.14Å; G115-I118 WeakPolarHBondContact O-CB 3.19Å; G115-I118 WeakPolarHBondContact O-CG1 3.28Å; G115-I118 PolarHBondContact O-N 3.09Å; G115-L157 WeakPolarHBondContact O-CD2 3.48Å |
| 116 | K | 90.2 | Very high | 94 | Very high | 95 Ų | 95 | 44.6 Ų | 44.6 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.2 | -174.8 | -66.1 | -169.5 | 172.3 | -161.3 | 0 | 114.5 | S114 S119 D170 Y171 | S114-K116 PolarHBondContact O-N 3.1Å; K116-S119 PolarHBondContact O-OG 3.2Å; K116-D170 WeakPolarHBondContact CD-O 3.25Å; K116-D170 WeakPolarHBondContact CE-O 3.4Å; K116-D170 IonicContact NZ-OD2 2.88Å; K116-D170 PolarHBondContact NZ-OD2 3.26Å; K116-Y171 HydrophobicContact CG-CD1 3.68Å; K116-Y171 HydrophobicContact CG-CE1 3.72Å; K116-Y171 HydrophobicContact CG-CG 4.12Å |
| 117 | Q | 91.7 | Very high | 93.9 | Very high | 124 Ų | 124 | 49.9 Ų | 49.9 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -80.7 | -20.9 | -179.2 | -65.3 | -178.7 | 3.1 | 0 | 0 | 112.7 | P113 S114 G115 S119 Q120 S121 | P113-Q117 HydrophobicContact CB-CB 4.05Å; S114-Q117 PolarHBondContact O-N 3.32Å; G115-Q117 PolarHBondContact O-N 3.07Å; G115-Q117 VanDerWaalsContact O-N 3.14Å; Q117-S119 VanDerWaalsContact C-N 3.29Å; Q117-S119 PolarHBondContact O-N 3.4Å; Q117-Q120 PolarHBondContact O-N 2.94Å; Q117-Q120 VanDerWaalsContact O-N 3.17Å; Q117-S121 PolarHBondContact O-N 3.34Å |
| 118 | I | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.8 | -47.7 | 179.6 | -68.2 | 170.2 | 0 | 0 | 0 | 110.6 | P113 G115 Q120 S121 I122 Q153 L156 L157 | P113-I118 HydrophobicContact CB-CG1 4.32Å; P113-I118 HydrophobicContact CG-CG1 4.27Å; P113-I118 WeakPolarHBondContact O-CG1 3.45Å; G115-I118 WeakPolarHBondContact O-CB 3.19Å; G115-I118 WeakPolarHBondContact O-CG1 3.28Å; G115-I118 PolarHBondContact O-N 3.09Å; I118-Q120 VanDerWaalsContact C-N 3.32Å; I118-Q120 PolarHBondContact O-N 3.4Å; I118-S121 PolarHBondContact O-N 2.97Å; I118-I122 HydrophobicContact CG2-CD1 3.61Å; I118-I122 HydrophobicContact CG2-CG1 4.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.37Å; I118-I122 PolarHBondContact O-N 3.44Å; I118-Q153 HydrophobicContact CG2-CB 4.13Å; I118-L156 HydrophobicContact CD1-CB 4.19Å; I118-L156 HydrophobicContact CD1-CD1 4.44Å; I118-L157 HydrophobicContact CB-CD2 3.97Å; I118-L157 HydrophobicContact CD1-CD2 3.96Å; I118-L157 HydrophobicContact CG1-CD2 4.5Å; I118-L157 HydrophobicContact CG2-CD1 4.25Å; I118-L157 HydrophobicContact CG2-CD2 4.21Å; I118-L157 HydrophobicContact CG2-CG 4.27Å |
| 119 | S | 95.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | -177.6 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | K116 Q117 I122 L123 Y171 C176 | K116-S119 PolarHBondContact O-OG 3.2Å; Q117-S119 VanDerWaalsContact C-N 3.29Å; Q117-S119 PolarHBondContact O-N 3.4Å; S119-I122 PolarHBondContact O-N 3.01Å; S119-L123 VanDerWaalsContact O-CB 3.29Å; S119-L123 WeakPolarHBondContact O-CB 3.42Å; S119-L123 WeakPolarHBondContact O-CG 3.4Å; S119-L123 PolarHBondContact O-N 3.48Å; S119-Y171 WeakPolarHBondContact CB-O 3.46Å; S119-Y171 PolarHBondContact OG-O 2.96Å; S119-C176 WeakPolarHBondContact CA-SG 3.43Å; S119-C176 WeakPolarHBondContact CB-SG 3.41Å |
| 120 | Q | 93.5 | Very high | 94 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 178.7 | -63 | 168.5 | 24.3 | 0 | 0 | 111.3 | L74 Q117 I118 L124 | L74-Q120 HydrophobicContact CD2-CB 3.86Å; Q117-Q120 PolarHBondContact O-N 2.94Å; Q117-Q120 VanDerWaalsContact O-N 3.17Å; I118-Q120 VanDerWaalsContact C-N 3.32Å; I118-Q120 PolarHBondContact O-N 3.4Å; Q120-L124 VanDerWaalsContact O-CB 3.25Å; Q120-L124 WeakPolarHBondContact O-CB 3.47Å; Q120-L124 PolarHBondContact O-N 3.42Å; Q120-L124 VanDerWaalsContact O-N 3.08Å |
| 121 | S | 94.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -46.8 | 175.9 | -63 | 0 | 0 | 0 | 0 | 112 | Q117 I118 L124 L125 | Q117-S121 PolarHBondContact O-N 3.34Å; I118-S121 PolarHBondContact O-N 2.97Å; S121-L124 PolarHBondContact O-N 3.17Å; S121-L125 WeakPolarHBondContact O-CB 3.33Å; S121-L125 WeakPolarHBondContact O-CG 3.45Å; S121-L125 PolarHBondContact O-N 3.39Å |
| 122 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.1 | -53.9 | 177.4 | -70.4 | 177.2 | 0 | 0 | 0 | 110 | I110 I118 S119 L124 L125 L126 L150 Q153 L154 C176 | I110-I122 HydrophobicContact CG2-CG1 4.33Å; I118-I122 HydrophobicContact CG2-CD1 3.61Å; I118-I122 HydrophobicContact CG2-CG1 4.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.37Å; I118-I122 PolarHBondContact O-N 3.44Å; S119-I122 PolarHBondContact O-N 3.01Å; I122-L124 VanDerWaalsContact C-N 3.27Å; I122-L124 PolarHBondContact O-N 3.15Å; I122-L125 PolarHBondContact O-N 3.37Å; I122-L125 VanDerWaalsContact O-N 3.17Å; I122-L126 HydrophobicContact CG2-CD1 3.69Å; I122-L126 HydrophobicContact CG2-CD2 4.49Å; I122-L126 HydrophobicContact CG2-CG 3.94Å; I122-L126 VanDerWaalsContact O-CG 3.22Å; I122-L126 WeakPolarHBondContact O-CG 3.49Å; I122-L126 PolarHBondContact O-N 3.49Å; I122-L150 HydrophobicContact CG1-CD2 4.26Å; I122-L150 HydrophobicContact CG2-CD2 4.09Å; I122-Q153 HydrophobicContact CD1-CB 4.31Å; I122-L154 HydrophobicContact CD1-CD1 4.4Å; I122-C176 HydrophobicContact CG2-CB 4.43Å |
| 123 | L | 95.8 | Very high | 94.1 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 36% | 0.356 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.2 | -35.3 | -176.8 | -67.9 | 172.3 | 0 | 0 | 0 | 112.7 | S119 Q175 A179 | S119-L123 VanDerWaalsContact O-CB 3.29Å; S119-L123 WeakPolarHBondContact O-CB 3.42Å; S119-L123 WeakPolarHBondContact O-CG 3.4Å; S119-L123 PolarHBondContact O-N 3.48Å; L123-Q175 HydrophobicContact CD1-CB 4.35Å; L123-A179 HydrophobicContact CD2-CB 3.57Å |
| 124 | L | 94.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.5 | -38.6 | 177.4 | 179.6 | 61.8 | 0 | 0 | 0 | 112.6 | V70 L73 L74 F87 Q120 S121 I122 P128 | V70-L124 HydrophobicContact CG1-CD2 4.1Å; L73-L124 HydrophobicContact CB-CD2 4.01Å; L73-L124 HydrophobicContact CD1-CD1 4.44Å; L73-L124 HydrophobicContact CD1-CD2 4.36Å; L74-L124 HydrophobicContact CD2-CD2 3.86Å; L74-L124 HydrophobicContact CG-CD2 4.03Å; F87-L124 HydrophobicContact CE1-CD1 3.67Å; F87-L124 HydrophobicContact CZ-CD1 4.04Å; Q120-L124 VanDerWaalsContact O-CB 3.25Å; Q120-L124 WeakPolarHBondContact O-CB 3.47Å; Q120-L124 PolarHBondContact O-N 3.42Å; Q120-L124 VanDerWaalsContact O-N 3.08Å; S121-L124 PolarHBondContact O-N 3.17Å; I122-L124 VanDerWaalsContact C-N 3.27Å; I122-L124 PolarHBondContact O-N 3.15Å; L124-P128 WeakPolarHBondContact O-CD 3.47Å |
| 125 | L | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -96.8 | -13.7 | -167.4 | -59.5 | 176.7 | 0 | 0 | 0 | 114.2 | V70 F90 L106 L109 I110 S121 I122 Q127 P128 L129 | V70-L125 HydrophobicContact CG1-CD1 4.46Å; V70-L125 HydrophobicContact CG1-CD2 4.15Å; V70-L125 HydrophobicContact CG2-CD2 3.71Å; F90-L125 HydrophobicContact CE2-CD2 4.28Å; F90-L125 HydrophobicContact CZ-CD2 3.69Å; L106-L125 HydrophobicContact CD2-CD2 3.95Å; L109-L125 HydrophobicContact CB-CD1 3.77Å; I110-L125 HydrophobicContact CD1-CB 4.2Å; I110-L125 HydrophobicContact CG1-CB 4.11Å; I110-L125 HydrophobicContact CG1-CD1 3.72Å; S121-L125 WeakPolarHBondContact O-CB 3.33Å; S121-L125 WeakPolarHBondContact O-CG 3.45Å; S121-L125 PolarHBondContact O-N 3.39Å; I122-L125 PolarHBondContact O-N 3.37Å; I122-L125 VanDerWaalsContact O-N 3.17Å; L125-Q127 PolarHBondContact O-N 3.03Å; L125-P128 WeakPolarHBondContact O-CD 3.2Å; L125-L129 WeakPolarHBondContact O-CB 3.22Å; L125-L129 PolarHBondContact O-N 2.82Å |
| 126 | L | 95.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.7 | -49.4 | -177.7 | -84.6 | 171.6 | 0 | 0 | 0 | 114.1 | I122 L129 Q130 L150 A179 L180 F183 | I122-L126 HydrophobicContact CG2-CD1 3.69Å; I122-L126 HydrophobicContact CG2-CD2 4.49Å; I122-L126 HydrophobicContact CG2-CG 3.94Å; I122-L126 VanDerWaalsContact O-CG 3.22Å; I122-L126 WeakPolarHBondContact O-CG 3.49Å; I122-L126 PolarHBondContact O-N 3.49Å; L126-L129 WeakPolarHBondContact O-CB 3.34Å; L126-L129 PolarHBondContact O-N 3.36Å; L126-Q130 PolarHBondContact O-N 2.98Å; L126-L150 HydrophobicContact CD2-CD1 3.62Å; L126-L150 HydrophobicContact CD2-CD2 3.72Å; L126-L150 HydrophobicContact CD2-CG 4.34Å; L126-L150 HydrophobicContact CG-CD2 4.44Å; L126-A179 HydrophobicContact CD1-CB 3.52Å; L126-L180 HydrophobicContact CD2-CD2 3.92Å; L126-F183 HydrophobicContact CB-CD2 4.47Å; L126-F183 HydrophobicContact CD2-CB 3.86Å; L126-F183 HydrophobicContact CD2-CD1 4.26Å; L126-F183 HydrophobicContact CD2-CD2 3.75Å; L126-F183 HydrophobicContact CD2-CE2 4.35Å; L126-F183 HydrophobicContact CD2-CG 3.69Å; L126-F183 WeakPolarHBondContact O-CD2 3.5Å |
| 127 | Q | 94.6 | Very high | 93.3 | Very high | 111 Ų | 111 | 41 Ų | 41 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.1 | -43.8 | -179.3 | -177.8 | -79.2 | -25.6 | 0 | 0 | 112.7 | L125 L129 Q130 T131 | L125-Q127 PolarHBondContact O-N 3.03Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 2.93Å; Q127-Q130 PolarHBondContact O-N 3.07Å; Q127-T131 PolarHBondContact NE2-OG1 3.34Å; Q127-T131 VanDerWaalsContact NE2-OG1 3.11Å; Q127-T131 PolarHBondContact O-N 2.69Å; Q127-T131 PolarHBondContact O-OG1 3.45Å |
| 128 | P | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.3 | -47.8 | 169.6 | -28.2 | 33.1 | 0 | 0 | 0 | 112.5 | F90 V94 L106 L124 L125 Q130 T131 V132 | F90-P128 HydrophobicContact CD1-CG 4.43Å; F90-P128 HydrophobicContact CE1-CB 4.1Å; F90-P128 HydrophobicContact CE1-CG 3.28Å; F90-P128 HydrophobicContact CZ-CB 3.76Å; F90-P128 HydrophobicContact CZ-CG 3.4Å; V94-P128 HydrophobicContact CG2-CB 3.96Å; L106-P128 HydrophobicContact CD1-CB 4.34Å; L124-P128 WeakPolarHBondContact O-CD 3.47Å; L125-P128 WeakPolarHBondContact O-CD 3.2Å; P128-Q130 VanDerWaalsContact C-N 3.31Å; P128-Q130 PolarHBondContact O-N 3.47Å; P128-T131 WeakPolarHBondContact O-CB 3.32Å; P128-T131 PolarHBondContact O-N 3.49Å; P128-T131 VanDerWaalsContact O-N 3.11Å; P128-V132 WeakPolarHBondContact O-CG2 3.25Å; P128-V132 PolarHBondContact O-N 2.91Å |
| 129 | L | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -44.2 | 180 | -167.5 | 70.2 | 0 | 0 | 0 | 111.3 | L103 L106 L107 I110 L125 L126 Q127 T131 V132 I133 A146 L150 F183 | L103-L129 HydrophobicContact CD1-CD1 3.55Å; L106-L129 HydrophobicContact CB-CD1 3.95Å; L106-L129 HydrophobicContact CD1-CD1 4.2Å; L107-L129 HydrophobicContact CD2-CD1 4.03Å; L107-L129 HydrophobicContact CD2-CD2 4.25Å; L107-L129 HydrophobicContact CG-CD1 4.34Å; I110-L129 HydrophobicContact CD1-CD2 3.98Å; L125-L129 WeakPolarHBondContact O-CB 3.22Å; L125-L129 PolarHBondContact O-N 2.82Å; L126-L129 WeakPolarHBondContact O-CB 3.34Å; L126-L129 PolarHBondContact O-N 3.36Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 2.93Å; L129-T131 PolarHBondContact O-N 3.45Å; L129-V132 PolarHBondContact O-N 3.03Å; L129-I133 HydrophobicContact CG-CD1 4.05Å; L129-I133 WeakPolarHBondContact O-CB 3.29Å; L129-I133 VanDerWaalsContact O-CG1 3.25Å; L129-I133 WeakPolarHBondContact O-CG1 3.43Å; L129-I133 PolarHBondContact O-N 3.2Å; L129-A146 HydrophobicContact CD2-CB 3.89Å; L129-A146 HydrophobicContact CG-CB 4.38Å; L129-L150 HydrophobicContact CD2-CD1 3.9Å; L129-L150 HydrophobicContact CD2-CG 4.37Å; L129-F183 HydrophobicContact CB-CE2 4.21Å; L129-F183 HydrophobicContact CD2-CE2 4.12Å; L129-F183 HydrophobicContact CD2-CZ 4.02Å; L129-F183 HydrophobicContact CG-CE2 4.27Å; L129-F183 HydrophobicContact CG-CZ 4.39Å |
| 130 | Q | 94.8 | Very high | 92 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.2 | -167.4 | 177.9 | 60.8 | 0 | 0 | 111.5 | L126 Q127 P128 V132 I133 Q134 F183 F187 | L126-Q130 PolarHBondContact O-N 2.98Å; Q127-Q130 PolarHBondContact O-N 3.07Å; P128-Q130 VanDerWaalsContact C-N 3.31Å; P128-Q130 PolarHBondContact O-N 3.47Å; Q130-V132 VanDerWaalsContact C-N 3.33Å; Q130-V132 PolarHBondContact O-N 3.24Å; Q130-I133 PolarHBondContact O-N 2.91Å; Q130-Q134 VanDerWaalsContact O-CG 3.3Å; Q130-Q134 WeakPolarHBondContact O-CG 3.48Å; Q130-Q134 PolarHBondContact O-N 2.9Å; Q130-F183 HydrophobicContact CB-CD2 3.86Å; Q130-F183 HydrophobicContact CB-CE2 3.78Å; Q130-F183 HydrophobicContact CG-CD2 4.37Å; Q130-F183 HydrophobicContact CG-CE2 4.42Å; Q130-F183 PolarHBondContact NE2-O 3.17Å; Q130-F187 HydrophobicContact CG-CE2 4.41Å; Q130-F187 HydrophobicContact CG-CZ 3.89Å |
| 131 | T | 93.8 | Very high | 92 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 178.6 | -56 | 0 | 0 | 0 | 0 | 112 | V94 Q127 P128 L129 K135 | V94-T131 HydrophobicContact CG1-CG2 4.15Å; Q127-T131 PolarHBondContact NE2-OG1 3.34Å; Q127-T131 VanDerWaalsContact NE2-OG1 3.11Å; Q127-T131 PolarHBondContact O-N 2.69Å; Q127-T131 PolarHBondContact O-OG1 3.45Å; P128-T131 WeakPolarHBondContact O-CB 3.32Å; P128-T131 PolarHBondContact O-N 3.49Å; P128-T131 VanDerWaalsContact O-N 3.11Å; L129-T131 PolarHBondContact O-N 3.45Å; T131-K135 WeakPolarHBondContact O-CG 3.41Å |
| 132 | V | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69 | -46.3 | 178 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | V94 P99 L102 L103 L106 P128 L129 Q130 Q134 K135 | V94-V132 HydrophobicContact CG1-CG2 4.06Å; P99-V132 HydrophobicContact CB-CG1 3.9Å; P99-V132 VanDerWaalsContact O-CG1 3.23Å; P99-V132 WeakPolarHBondContact O-CG1 3.29Å; L102-V132 HydrophobicContact CB-CG1 4.28Å; L102-V132 HydrophobicContact CD2-CB 4.49Å; L102-V132 HydrophobicContact CD2-CG1 4.34Å; L102-V132 HydrophobicContact CD2-CG2 3.31Å; L102-V132 HydrophobicContact CG-CG2 4.01Å; L103-V132 HydrophobicContact CB-CG1 4.08Å; L106-V132 HydrophobicContact CD1-CG2 3.9Å; P128-V132 WeakPolarHBondContact O-CG2 3.25Å; P128-V132 PolarHBondContact O-N 2.91Å; L129-V132 PolarHBondContact O-N 3.03Å; Q130-V132 VanDerWaalsContact C-N 3.33Å; Q130-V132 PolarHBondContact O-N 3.24Å; V132-Q134 VanDerWaalsContact C-N 3.29Å; V132-Q134 PolarHBondContact O-N 2.92Å; V132-K135 WeakPolarHBondContact O-CB 3.45Å; V132-K135 PolarHBondContact O-N 3.1Å |
| 133 | I | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 179.2 | -71.5 | 169.3 | 0 | 0 | 0 | 111.1 | L103 L129 Q130 K135 L136 I143 A146 F183 F187 | L103-I133 HydrophobicContact CD1-CD1 4.35Å; L103-I133 HydrophobicContact CD1-CG1 3.99Å; L129-I133 HydrophobicContact CG-CD1 4.05Å; L129-I133 WeakPolarHBondContact O-CB 3.29Å; L129-I133 VanDerWaalsContact O-CG1 3.25Å; L129-I133 WeakPolarHBondContact O-CG1 3.43Å; L129-I133 PolarHBondContact O-N 3.2Å; Q130-I133 PolarHBondContact O-N 2.91Å; I133-K135 PolarHBondContact O-N 3.39Å; I133-K135 VanDerWaalsContact O-N 3.16Å; I133-L136 PolarHBondContact O-N 3.47Å; I133-I143 HydrophobicContact CG2-CD1 4.1Å; I133-I143 HydrophobicContact CG2-CG1 3.51Å; I133-A146 HydrophobicContact CD1-CB 3.72Å; I133-F183 HydrophobicContact CD1-CZ 4Å; I133-F187 HydrophobicContact CB-CZ 4.46Å; I133-F187 HydrophobicContact CG2-CE1 3.83Å; I133-F187 HydrophobicContact CG2-CZ 3.99Å |
| 134 | Q | 90.3 | Very high | 91.9 | Very high | 102 Ų | 102 | 41 Ų | 41 | 48% | 0.477 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.1 | -22 | 178 | -74.5 | 175.4 | 1.2 | 0 | 0 | 113.8 | Q130 V132 | Q130-Q134 VanDerWaalsContact O-CG 3.3Å; Q130-Q134 WeakPolarHBondContact O-CG 3.48Å; Q130-Q134 PolarHBondContact O-N 2.9Å; V132-Q134 VanDerWaalsContact C-N 3.29Å; V132-Q134 PolarHBondContact O-N 2.92Å |
| 135 | K | 90.4 | Very high | 92 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 41% | 0.409 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -12.5 | 175.7 | -64.3 | 174.7 | -175.1 | 179.7 | 0 | 113.6 | V94 K95 P99 T131 V132 I133 | V94-K135 PolarHBondContact O-NZ 3.16Å; K95-K135 PolarHBondContact O-NZ 2.94Å; P99-K135 HydrophobicContact CB-CB 4.21Å; P99-K135 HydrophobicContact CG-CB 4.37Å; T131-K135 WeakPolarHBondContact O-CG 3.41Å; V132-K135 WeakPolarHBondContact O-CB 3.45Å; V132-K135 PolarHBondContact O-N 3.1Å; I133-K135 PolarHBondContact O-N 3.39Å; I133-K135 VanDerWaalsContact O-N 3.16Å |
| 136 | L | 89.3 | Confident | 92 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | trans | -85.8 | 153 | -177.4 | -70 | 170.4 | 0 | 0 | 0 | 111.9 | P99 K100 L103 I133 K139 S142 | P99-L136 HydrophobicContact CB-CD2 3.73Å; P99-L136 HydrophobicContact CB-CG 4Å; P99-L136 HydrophobicContact CG-CD2 3.74Å; P99-L136 HydrophobicContact CG-CG 4.41Å; K100-L136 HydrophobicContact CG-CD2 3.79Å; L103-L136 HydrophobicContact CB-CD1 4.44Å; L103-L136 HydrophobicContact CD2-CD1 3.82Å; I133-L136 PolarHBondContact O-N 3.47Å; L136-K139 VanDerWaalsContact O-CG 3.31Å; L136-K139 WeakPolarHBondContact O-CG 3.38Å; L136-S142 WeakPolarHBondContact CD1-OG 3.41Å | ||
| 137 | H | 78 | Confident | 92.1 | Very high | 143 Ų | 143 | 41.5 Ų | 41.5 | 66% | 0.662 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -87.5 | -40.1 | 177.4 | 49.7 | -84.8 | 0 | 0 | 0 | 112.8 | K139 | H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.35Å |
| 138 | N | 78.3 | Confident | 92.1 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 34% | 0.342 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -88.3 | 68.8 | 175.9 | -176.8 | 17.9 | 0 | 0 | 0 | 109.6 | Y141 S142 E200 | N138-Y141 WeakPolarHBondContact ND2-CB 3.23Å; N138-S142 PolarHBondContact O-N 3.14Å; N138-S142 PolarHBondContact O-OG 3.02Å; N138-E200 PolarHBondContact OD1-OE1 3.46Å |
| 139 | K | 85.3 | Confident | 92.2 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.4 | -41 | -170.1 | -70.3 | -170.5 | -177 | 177.7 | 0 | 112.3 | L136 H137 Y141 S142 I143 E190 E200 | L136-K139 VanDerWaalsContact O-CG 3.31Å; L136-K139 WeakPolarHBondContact O-CG 3.38Å; H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.35Å; K139-Y141 PolarHBondContact O-N 3.27Å; K139-S142 PolarHBondContact O-N 3.25Å; K139-I143 HydrophobicContact CB-CD1 4.12Å; K139-I143 WeakPolarHBondContact O-CB 3.45Å; K139-I143 WeakPolarHBondContact O-CD1 3.4Å; K139-I143 WeakPolarHBondContact O-CG1 3.38Å; K139-I143 PolarHBondContact O-N 3.5Å; K139-E190 IonicContact NZ-OE1 2.8Å; K139-E190 PolarHBondContact NZ-OE1 3.27Å; K139-E190 IonicContact NZ-OE2 3.6Å; K139-E190 PolarHBondContact NZ-OE2 3.28Å; K139-E200 PolarHBondContact N-OE1 2.83Å |
| 140 | A | 91.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -48.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S142 I143 G144 E200 K203 L204 | A140-S142 PolarHBondContact O-N 3.46Å; A140-I143 PolarHBondContact O-N 3.5Å; A140-G144 PolarHBondContact O-N 3.44Å; A140-E200 HydrophobicContact CB-CG 4.42Å; A140-E200 VanDerWaalsContact CB-OE1 3.25Å; A140-E200 WeakPolarHBondContact CB-OE1 3.34Å; A140-E200 PolarHBondContact N-OE1 3Å; A140-K203 HydrophobicContact CB-CB 3.69Å; A140-L204 HydrophobicContact CB-CB 3.93Å |
| 141 | Y | 92.6 | Very high | 92.3 | Very high | 145 Ų | 145 | 38 Ų | 38 | 57% | 0.569 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -61.5 | -45.2 | 177.3 | 174.4 | -100.4 | 0 | 0 | 0 | 112.2 | N138 K139 I143 G144 L145 | N138-Y141 WeakPolarHBondContact ND2-CB 3.23Å; K139-Y141 PolarHBondContact O-N 3.27Å; Y141-I143 VanDerWaalsContact C-N 3.33Å; Y141-I143 PolarHBondContact O-N 3.31Å; Y141-G144 PolarHBondContact O-N 3.48Å; Y141-L145 WeakPolarHBondContact O-CB 3.27Å; Y141-L145 PolarHBondContact O-N 2.98Å |
| 142 | S | 94.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -37.3 | 179.1 | -68 | 0 | 0 | 0 | 0 | 112.7 | L103 L136 N138 K139 A140 A146 | L103-S142 WeakPolarHBondContact CD2-OG 3.4Å; L136-S142 WeakPolarHBondContact CD1-OG 3.41Å; N138-S142 PolarHBondContact O-N 3.14Å; N138-S142 PolarHBondContact O-OG 3.02Å; K139-S142 PolarHBondContact O-N 3.25Å; A140-S142 PolarHBondContact O-N 3.46Å; S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.29Å; S142-A146 PolarHBondContact O-N 2.95Å |
| 143 | I | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.3 | -46.3 | 174.7 | -68.6 | 161.5 | 0 | 0 | 0 | 110.4 | I133 K139 A140 Y141 L145 A146 L147 F187 L204 | I133-I143 HydrophobicContact CG2-CD1 4.1Å; I133-I143 HydrophobicContact CG2-CG1 3.51Å; K139-I143 HydrophobicContact CB-CD1 4.12Å; K139-I143 WeakPolarHBondContact O-CB 3.45Å; K139-I143 WeakPolarHBondContact O-CD1 3.4Å; K139-I143 WeakPolarHBondContact O-CG1 3.38Å; K139-I143 PolarHBondContact O-N 3.5Å; A140-I143 PolarHBondContact O-N 3.5Å; Y141-I143 VanDerWaalsContact C-N 3.33Å; Y141-I143 PolarHBondContact O-N 3.31Å; I143-L145 PolarHBondContact O-N 3.46Å; I143-A146 PolarHBondContact O-N 3.13Å; I143-L147 HydrophobicContact CG2-CD1 3.61Å; I143-L147 HydrophobicContact CG2-CG 4.13Å; I143-L147 WeakPolarHBondContact O-CB 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 2.87Å; I143-F187 HydrophobicContact CD1-CB 4.33Å; I143-F187 HydrophobicContact CD1-CD1 3.43Å; I143-F187 VanDerWaalsContact CD1-CD1 3.43Å; I143-F187 HydrophobicContact CD1-CE1 3.8Å; I143-F187 HydrophobicContact CD1-CG 3.89Å; I143-F187 HydrophobicContact CG1-CD1 4.03Å; I143-F187 HydrophobicContact CG1-CE1 4Å; I143-F187 HydrophobicContact CG1-CG 4.31Å; I143-F187 HydrophobicContact CG1-CZ 4.28Å; I143-F187 HydrophobicContact CG2-CD2 4.37Å; I143-F187 HydrophobicContact CG2-CG 4.44Å; I143-L204 HydrophobicContact CB-CD1 4.17Å; I143-L204 HydrophobicContact CD1-CD1 3.54Å; I143-L204 HydrophobicContact CG1-CD1 4.45Å; I143-L204 HydrophobicContact CG2-CD1 3.95Å |
| 144 | G | 94.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A140 Y141 A146 S148 E207 | A140-G144 PolarHBondContact O-N 3.44Å; Y141-G144 PolarHBondContact O-N 3.48Å; G144-A146 PolarHBondContact O-N 3.13Å; G144-S148 WeakPolarHBondContact O-CB 3.47Å; G144-S148 PolarHBondContact O-N 3.14Å; G144-E207 WeakPolarHBondContact CA-OE2 3.48Å |
| 145 | L | 95.3 | Very high | 92.7 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 28% | 0.277 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 175.5 | -174.2 | 65 | 0 | 0 | 0 | 111.2 | L104 L107 Y141 I143 S148 T149 | L104-L145 HydrophobicContact CD2-CD2 4.22Å; L107-L145 HydrophobicContact CD1-CD2 3.63Å; L107-L145 HydrophobicContact CD1-CG 3.7Å; Y141-L145 WeakPolarHBondContact O-CB 3.27Å; Y141-L145 PolarHBondContact O-N 2.98Å; I143-L145 PolarHBondContact O-N 3.46Å; L145-S148 PolarHBondContact O-N 3.32Å; L145-T149 PolarHBondContact O-N 3Å; L145-T149 PolarHBondContact O-OG1 3.46Å |
| 146 | A | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -50 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L107 L129 I133 S142 I143 G144 S148 T149 L150 F183 | L107-A146 HydrophobicContact CD2-CB 4.14Å; L129-A146 HydrophobicContact CD2-CB 3.89Å; L129-A146 HydrophobicContact CG-CB 4.38Å; I133-A146 HydrophobicContact CD1-CB 3.72Å; S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.29Å; S142-A146 PolarHBondContact O-N 2.95Å; I143-A146 PolarHBondContact O-N 3.13Å; G144-A146 PolarHBondContact O-N 3.13Å; A146-S148 VanDerWaalsContact C-N 3.28Å; A146-S148 PolarHBondContact O-N 2.92Å; A146-T149 PolarHBondContact O-N 3.33Å; A146-L150 VanDerWaalsContact O-CB 3.27Å; A146-L150 WeakPolarHBondContact O-CB 3.38Å; A146-L150 WeakPolarHBondContact O-CD1 2.95Å; A146-L150 VanDerWaalsContact O-CG 3.23Å; A146-L150 WeakPolarHBondContact O-CG 3.48Å; A146-L150 PolarHBondContact O-N 3.37Å; A146-F183 HydrophobicContact CB-CZ 4.45Å |
| 147 | L | 97.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 178.3 | -72.2 | 173.9 | 0 | 0 | 0 | 111.6 | I143 W151 F183 T184 L208 F211 | I143-L147 HydrophobicContact CG2-CD1 3.61Å; I143-L147 HydrophobicContact CG2-CG 4.13Å; I143-L147 WeakPolarHBondContact O-CB 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 2.87Å; L147-W151 WeakPolarHBondContact O-CB 3.49Å; L147-W151 PolarHBondContact O-N 3.11Å; L147-F183 HydrophobicContact CD2-CD1 3.96Å; L147-F183 HydrophobicContact CD2-CE1 3.72Å; L147-F183 HydrophobicContact CG-CE1 4.33Å; L147-T184 HydrophobicContact CD2-CG2 4.46Å; L147-L208 HydrophobicContact CD1-CD2 3.93Å; L147-F211 HydrophobicContact CB-CB 4.21Å; L147-F211 HydrophobicContact CB-CD2 3.99Å; L147-F211 HydrophobicContact CB-CG 4.24Å; L147-F211 HydrophobicContact CD1-CB 3.9Å; L147-F211 HydrophobicContact CD1-CD1 4.43Å; L147-F211 HydrophobicContact CD1-CG 4.04Å; L147-F211 HydrophobicContact CD2-CD1 4.34Å; L147-F211 HydrophobicContact CD2-CD2 3.92Å; L147-F211 HydrophobicContact CD2-CE1 4.47Å; L147-F211 HydrophobicContact CD2-CE2 4.06Å; L147-F211 HydrophobicContact CD2-CG 4.06Å; L147-F211 HydrophobicContact CD2-CZ 4.33Å; L147-F211 HydrophobicContact CG-CD2 4.37Å; L147-F211 HydrophobicContact CG-CG 4.35Å |
| 148 | S | 95.1 | Very high | 94 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.8 | -49.3 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | G144 L145 A146 W151 N152 K214 | G144-S148 WeakPolarHBondContact O-CB 3.47Å; G144-S148 PolarHBondContact O-N 3.14Å; L145-S148 PolarHBondContact O-N 3.32Å; A146-S148 VanDerWaalsContact C-N 3.28Å; A146-S148 PolarHBondContact O-N 2.92Å; S148-W151 PolarHBondContact O-N 3.44Å; S148-N152 WeakPolarHBondContact O-CB 3.18Å; S148-N152 PolarHBondContact O-N 3.39Å; S148-N152 PolarHBondContact O-ND2 2.9Å; S148-N152 PolarHBondContact O-OD1 3.44Å; S148-K214 PolarHBondContact OG-NZ 3.18Å |
| 149 | T | 96.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 178.5 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | L107 I110 E111 L145 A146 W151 N152 Q153 | L107-T149 HydrophobicContact CB-CG2 4.44Å; L107-T149 HydrophobicContact CD2-CG2 4.25Å; I110-T149 HydrophobicContact CG2-CG2 4.13Å; E111-T149 HydrophobicContact CB-CG2 4.45Å; L145-T149 PolarHBondContact O-N 3Å; L145-T149 PolarHBondContact O-OG1 3.46Å; A146-T149 PolarHBondContact O-N 3.33Å; T149-W151 PolarHBondContact O-N 3.09Å; T149-N152 PolarHBondContact O-N 2.91Å; T149-Q153 PolarHBondContact O-N 3.22Å; T149-Q153 VanDerWaalsContact O-N 3.1Å |
| 150 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.1 | -47.7 | 176.2 | -77.9 | 166.7 | 0 | 0 | 0 | 111.6 | I110 I122 L126 L129 A146 Q153 L154 L180 F183 | I110-L150 HydrophobicContact CD1-CD2 3.89Å; I110-L150 HydrophobicContact CD1-CG 4.48Å; I110-L150 HydrophobicContact CG2-CD2 4.13Å; I122-L150 HydrophobicContact CG1-CD2 4.26Å; I122-L150 HydrophobicContact CG2-CD2 4.09Å; L126-L150 HydrophobicContact CD2-CD1 3.62Å; L126-L150 HydrophobicContact CD2-CD2 3.72Å; L126-L150 HydrophobicContact CD2-CG 4.34Å; L126-L150 HydrophobicContact CG-CD2 4.44Å; L129-L150 HydrophobicContact CD2-CD1 3.9Å; L129-L150 HydrophobicContact CD2-CG 4.37Å; A146-L150 VanDerWaalsContact O-CB 3.27Å; A146-L150 WeakPolarHBondContact O-CB 3.38Å; A146-L150 WeakPolarHBondContact O-CD1 2.95Å; A146-L150 VanDerWaalsContact O-CG 3.23Å; A146-L150 WeakPolarHBondContact O-CG 3.48Å; A146-L150 PolarHBondContact O-N 3.37Å; L150-Q153 PolarHBondContact O-N 3.46Å; L150-L154 VanDerWaalsContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 3.32Å; L150-L180 HydrophobicContact CB-CD2 3.95Å; L150-L180 HydrophobicContact CD1-CD2 3.83Å; L150-L180 HydrophobicContact CD2-CD2 4.28Å; L150-L180 HydrophobicContact CG-CD2 4.25Å; L150-F183 HydrophobicContact CD1-CD1 4.18Å; L150-F183 HydrophobicContact CD1-CE1 3.85Å; L150-F183 HydrophobicContact CD1-CZ 4.15Å |
| 151 | W | 96.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -41.2 | 178.7 | 179.8 | 87.4 | 0 | 0 | 0 | 112 | L147 S148 T149 Q153 L154 S155 K214 C218 | L147-W151 WeakPolarHBondContact O-CB 3.49Å; L147-W151 PolarHBondContact O-N 3.11Å; S148-W151 PolarHBondContact O-N 3.44Å; T149-W151 PolarHBondContact O-N 3.09Å; W151-Q153 VanDerWaalsContact C-N 3.28Å; W151-Q153 PolarHBondContact O-N 3.23Å; W151-L154 PolarHBondContact O-N 3.49Å; W151-S155 VanDerWaalsContact O-CB 3.31Å; W151-S155 WeakPolarHBondContact O-CB 3.41Å; W151-S155 PolarHBondContact O-N 2.8Å; W151-K214 HydrophobicContact CD2-CB 3.69Å; W151-K214 HydrophobicContact CD2-CD 3.9Å; W151-K214 HydrophobicContact CD2-CG 4.02Å; W151-K214 HydrophobicContact CE3-CB 4.3Å; W151-K214 HydrophobicContact CE3-CD 3.77Å; W151-K214 HydrophobicContact CE3-CG 4.12Å; W151-K214 HydrophobicContact CG-CB 3.89Å; W151-K214 HydrophobicContact CG-CD 4.26Å; W151-K214 HydrophobicContact CH2-CG 4.33Å; W151-K214 HydrophobicContact CZ2-CB 3.94Å; W151-K214 HydrophobicContact CZ2-CG 4.23Å; W151-K214 WeakPolarHBondContact CZ2-O 3.31Å; W151-K214 HydrophobicContact CZ3-CD 4.24Å; W151-K214 HydrophobicContact CZ3-CG 4.29Å; W151-K214 PolarHBondContact NE1-O 3.4Å; W151-C218 HydrophobicContact CZ2-CB 3.77Å; W151-C218 PolarHBondContact NE1-O 3.04Å |
| 152 | N | 95 | Very high | 94.3 | Very high | 75 Ų | 75 | 30.8 Ų | 30.8 | 40% | 0.401 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -55.5 | -47 | 177.8 | -74.7 | -12 | 0 | 0 | 0 | 110.5 | S148 T149 S155 | S148-N152 WeakPolarHBondContact O-CB 3.18Å; S148-N152 PolarHBondContact O-N 3.39Å; S148-N152 PolarHBondContact O-ND2 2.9Å; S148-N152 PolarHBondContact O-OD1 3.44Å; T149-N152 PolarHBondContact O-N 2.91Å; N152-S155 PolarHBondContact O-N 3.35Å; N152-S155 PolarHBondContact O-OG 2.98Å |
| 153 | Q | 96 | Very high | 93.8 | Very high | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.1 | -42.9 | 177.7 | -74.6 | -68.8 | -27.2 | 0 | 0 | 113 | I110 E111 P113 I118 I122 T149 L150 W151 S155 L156 | I110-Q153 HydrophobicContact CG2-CB 4.41Å; I110-Q153 HydrophobicContact CG2-CG 4.17Å; I110-Q153 VanDerWaalsContact O-CG 3.31Å; I110-Q153 WeakPolarHBondContact O-CG 3.29Å; E111-Q153 PolarHBondContact O-NE2 3.02Å; P113-Q153 PolarHBondContact O-OE1 2.92Å; I118-Q153 HydrophobicContact CG2-CB 4.13Å; I122-Q153 HydrophobicContact CD1-CB 4.31Å; T149-Q153 PolarHBondContact O-N 3.22Å; T149-Q153 VanDerWaalsContact O-N 3.1Å; L150-Q153 PolarHBondContact O-N 3.46Å; W151-Q153 VanDerWaalsContact C-N 3.28Å; W151-Q153 PolarHBondContact O-N 3.23Å; Q153-S155 PolarHBondContact O-N 3.16Å; Q153-L156 WeakPolarHBondContact O-CB 3.22Å; Q153-L156 PolarHBondContact O-N 3.24Å |
| 154 | L | 95.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -38.5 | 175.4 | -166.6 | 83 | 0 | 0 | 0 | 112 | I122 L150 W151 L156 L157 L173 C176 L180 | I122-L154 HydrophobicContact CD1-CD1 4.4Å; L150-L154 VanDerWaalsContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 3.32Å; W151-L154 PolarHBondContact O-N 3.49Å; L154-L156 PolarHBondContact O-N 3.45Å; L154-L157 HydrophobicContact CD1-CD1 4.28Å; L154-L157 WeakPolarHBondContact O-CB 3.36Å; L154-L157 PolarHBondContact O-N 2.71Å; L154-L157 VanDerWaalsContact O-N 3.09Å; L154-L173 HydrophobicContact CD1-CD1 3.73Å; L154-L173 HydrophobicContact CD2-CD1 4.17Å; L154-L173 HydrophobicContact CG-CD1 3.66Å; L154-C176 HydrophobicContact CD1-CB 3.3Å; L154-L180 HydrophobicContact CB-CD1 4.46Å; L154-L180 HydrophobicContact CD1-CD1 3.96Å; L154-L180 HydrophobicContact CD2-CD1 3.47Å; L154-L180 VanDerWaalsContact CD2-CD1 3.47Å; L154-L180 HydrophobicContact CG-CD1 4.17Å |
| 155 | S | 94.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.7 | -176.6 | 78.2 | 0 | 0 | 0 | 0 | 114 | W151 N152 Q153 L157 | W151-S155 VanDerWaalsContact O-CB 3.31Å; W151-S155 WeakPolarHBondContact O-CB 3.41Å; W151-S155 PolarHBondContact O-N 2.8Å; N152-S155 PolarHBondContact O-N 3.35Å; N152-S155 PolarHBondContact O-OG 2.98Å; Q153-S155 PolarHBondContact O-N 3.16Å; S155-L157 VanDerWaalsContact C-N 3.32Å |
| 156 | L | 95.8 | Very high | 92.7 | Very high | 116 Ų | 116 | 43 Ų | 43 | 61% | 0.607 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -16.7 | 175.4 | -59.1 | 175.6 | 0 | 0 | 0 | 112.6 | I118 Q153 L154 | I118-L156 HydrophobicContact CD1-CB 4.19Å; I118-L156 HydrophobicContact CD1-CD1 4.44Å; Q153-L156 WeakPolarHBondContact O-CB 3.22Å; Q153-L156 PolarHBondContact O-N 3.24Å; L154-L156 PolarHBondContact O-N 3.45Å |
| 157 | L | 95.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -75.7 | 135.7 | 179.7 | -61.8 | 179.6 | 0 | 0 | 0 | 110.6 | G115 I118 L154 S155 V159 Y171 L173 | G115-L157 WeakPolarHBondContact O-CD2 3.48Å; I118-L157 HydrophobicContact CB-CD2 3.97Å; I118-L157 HydrophobicContact CD1-CD2 3.96Å; I118-L157 HydrophobicContact CG1-CD2 4.5Å; I118-L157 HydrophobicContact CG2-CD1 4.25Å; I118-L157 HydrophobicContact CG2-CD2 4.21Å; I118-L157 HydrophobicContact CG2-CG 4.27Å; L154-L157 HydrophobicContact CD1-CD1 4.28Å; L154-L157 WeakPolarHBondContact O-CB 3.36Å; L154-L157 PolarHBondContact O-N 2.71Å; L154-L157 VanDerWaalsContact O-N 3.09Å; S155-L157 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 2.82Å; L157-Y171 HydrophobicContact CD2-CD1 4.26Å; L157-L173 HydrophobicContact CB-CB 4.25Å; L157-L173 HydrophobicContact CB-CD1 4.21Å; L157-L173 HydrophobicContact CD1-CB 4.18Å; L157-L173 HydrophobicContact CD1-CD1 4.22Å |
| 158 | P | 94.4 | Very high | 91.8 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 136.6 | 176.9 | 28.5 | -33.9 | 0 | 0 | 0 | 110.4 | P160 Y171 | P158-P160 WeakPolarHBondContact O-CD 3.05Å; P158-Y171 HydrophobicContact CG-CD1 3.79Å; P158-Y171 HydrophobicContact CG-CD2 3.51Å; P158-Y171 HydrophobicContact CG-CE1 3.89Å; P158-Y171 HydrophobicContact CG-CE2 3.63Å; P158-Y171 HydrophobicContact CG-CG 3.59Å |
| 159 | V | 94.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 121.1 | 176 | -174 | 0 | 0 | 0 | 0 | 109.2 | L157 Y161 L173 P219 T222 A223 F237 | L157-V159 PolarHBondContact O-N 2.82Å; V159-Y161 WeakPolarHBondContact O-CD2 3.45Å; V159-Y161 WeakPolarHBondContact O-CE2 3.47Å; V159-L173 HydrophobicContact CB-CD2 4.24Å; V159-L173 HydrophobicContact CG1-CD2 4.41Å; V159-L173 HydrophobicContact CG2-CD2 3.88Å; V159-P219 HydrophobicContact CG2-CB 3.71Å; V159-T222 VanDerWaalsContact CG2-OG1 3.27Å; V159-T222 WeakPolarHBondContact CG2-OG1 3.37Å; V159-A223 HydrophobicContact CG1-CB 3.96Å; V159-F237 HydrophobicContact CG1-CE2 4.2Å; V159-F237 HydrophobicContact CG1-CZ 3.95Å |
| 160 | P | 91.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 141.1 | 177.4 | 27.4 | -33.7 | 0 | 0 | 0 | 111.2 | P158 Q165 I166 F237 | P158-P160 WeakPolarHBondContact O-CD 3.05Å; P160-Q165 HydrophobicContact CB-CB 3.63Å; P160-I166 HydrophobicContact CB-CG1 3.96Å; P160-I166 HydrophobicContact CG-CG1 3.9Å; P160-F237 HydrophobicContact CG-CE2 3.93Å; P160-F237 HydrophobicContact CG-CZ 3.87Å |
| 161 | Y | 82.4 | Confident | 91.2 | Very high | 126 Ų | 126 | 63.6 Ų | 63.6 | 49% | 0.494 | 31% | 0.313 | S | S | . | . | trans | -110.1 | -30.2 | -172.4 | -58.5 | -73.5 | 0 | 0 | 0 | 113.6 | V159 Q224 | V159-Y161 WeakPolarHBondContact O-CD2 3.45Å; V159-Y161 WeakPolarHBondContact O-CE2 3.47Å; Y161-Q224 HydrophobicContact CD1-CG 4.33Å | ||
| 162 | S | 85.1 | Confident | 91.2 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -100.7 | 161 | -179.6 | 90.9 | 0 | 0 | 0 | 0 | 112.6 | E164 Q165 I166 | S162-E164 VanDerWaalsContact CB-OE2 3.26Å; S162-E164 WeakPolarHBondContact CB-OE2 3.33Å; S162-E164 PolarHBondContact O-N 3.05Å; S162-E164 PolarHBondContact OG-N 3.32Å; S162-E164 PolarHBondContact OG-OE2 3.06Å; S162-Q165 PolarHBondContact O-N 2.8Å; S162-Q165 WeakPolarHBondContact OG-CG 3.37Å; S162-Q165 PolarHBondContact OG-N 2.79Å; S162-Q165 VanDerWaalsContact OG-N 3.14Å; S162-I166 VanDerWaalsContact O-CG1 3.31Å; S162-I166 WeakPolarHBondContact O-CG1 3.38Å; S162-I166 PolarHBondContact O-N 3.22Å |
| 163 | K | 84.2 | Confident | 91.3 | Very high | 99 Ų | 99 | 59 Ų | 59 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 176.2 | -50.8 | -152.9 | 173.6 | 180 | 0 | 111.1 | I166 Q167 L226 | K163-I166 PolarHBondContact O-N 3.42Å; K163-Q167 VanDerWaalsContact O-CG 3.27Å; K163-Q167 WeakPolarHBondContact O-CG 3.29Å; K163-Q167 PolarHBondContact O-N 3.29Å; K163-L226 HydrophobicContact CB-CD2 4.08Å; K163-L226 HydrophobicContact CD-CD2 3.66Å; K163-L226 HydrophobicContact CG-CD2 3.4Å; K163-L226 VanDerWaalsContact CG-CD2 3.4Å |
| 164 | E | 86.3 | Confident | 91.2 | Very high | 117 Ų | 117 | 58.7 Ų | 58.7 | 55% | 0.547 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 179.1 | -54.9 | 75.8 | -161.6 | 0 | 0 | 111.4 | S162 I166 Q167 M168 | S162-E164 VanDerWaalsContact CB-OE2 3.26Å; S162-E164 WeakPolarHBondContact CB-OE2 3.33Å; S162-E164 PolarHBondContact O-N 3.05Å; S162-E164 PolarHBondContact OG-N 3.32Å; S162-E164 PolarHBondContact OG-OE2 3.06Å; E164-I166 VanDerWaalsContact C-N 3.35Å; E164-I166 PolarHBondContact O-N 3.04Å; E164-Q167 PolarHBondContact O-N 3.25Å; E164-M168 WeakPolarHBondContact O-CB 3.39Å; E164-M168 WeakPolarHBondContact O-CG 3.45Å; E164-M168 PolarHBondContact O-N 3.17Å |
| 165 | Q | 88.9 | Confident | 91.2 | Very high | 93 Ų | 93 | 64.1 Ų | 64.1 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 177.4 | -71 | 178.1 | -16.1 | 0 | 0 | 112 | P160 S162 Q167 D169 | P160-Q165 HydrophobicContact CB-CB 3.63Å; S162-Q165 PolarHBondContact O-N 2.8Å; S162-Q165 WeakPolarHBondContact OG-CG 3.37Å; S162-Q165 PolarHBondContact OG-N 2.79Å; S162-Q165 VanDerWaalsContact OG-N 3.14Å; Q165-Q167 VanDerWaalsContact C-N 3.33Å; Q165-D169 PolarHBondContact O-N 3.33Å |
| 166 | I | 87.4 | Confident | 91.3 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 175.5 | -67.1 | 167 | 0 | 0 | 0 | 110.5 | P160 S162 K163 E164 L226 P236 F237 | P160-I166 HydrophobicContact CB-CG1 3.96Å; P160-I166 HydrophobicContact CG-CG1 3.9Å; S162-I166 VanDerWaalsContact O-CG1 3.31Å; S162-I166 WeakPolarHBondContact O-CG1 3.38Å; S162-I166 PolarHBondContact O-N 3.22Å; K163-I166 PolarHBondContact O-N 3.42Å; E164-I166 VanDerWaalsContact C-N 3.35Å; E164-I166 PolarHBondContact O-N 3.04Å; I166-L226 HydrophobicContact CD1-CD2 4.31Å; I166-P236 HydrophobicContact CG2-CG 3.94Å; I166-F237 HydrophobicContact CG1-CE2 4.32Å |
| 167 | Q | 86.6 | Confident | 91.4 | Very high | 163 Ų | 163 | 56.8 Ų | 56.8 | 76% | 0.762 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.9 | -40.3 | 178.2 | -74.3 | 174.6 | 10.5 | 0 | 0 | 113.1 | K163 E164 Q165 | K163-Q167 VanDerWaalsContact O-CG 3.27Å; K163-Q167 WeakPolarHBondContact O-CG 3.29Å; K163-Q167 PolarHBondContact O-N 3.29Å; E164-Q167 PolarHBondContact O-N 3.25Å; Q165-Q167 VanDerWaalsContact C-N 3.33Å |
| 168 | M | 89.6 | Confident | 91.4 | Very high | 132 Ų | 132 | 61.9 Ų | 61.9 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.8 | -34.5 | 177.6 | -72.5 | 180 | 59.6 | 0 | 0 | 112 | E164 D170 | E164-M168 WeakPolarHBondContact O-CB 3.39Å; E164-M168 WeakPolarHBondContact O-CG 3.45Å; E164-M168 PolarHBondContact O-N 3.17Å; M168-D170 WeakPolarHBondContact CE-OD1 3.46Å; M168-D170 PolarHBondContact O-N 2.86Å |
| 169 | D | 91.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | trans | 42.9 | 51.4 | -177.4 | -165.8 | 19.1 | 0 | 0 | 0 | 112.5 | Q165 Y171 G172 L173 C174 Q175 | Q165-D169 PolarHBondContact O-N 3.33Å; D169-Y171 PolarHBondContact O-N 2.93Å; D169-G172 VanDerWaalsContact CG-CA 3.43Å; D169-G172 WeakPolarHBondContact O-CA 3.49Å; D169-G172 PolarHBondContact O-N 3.28Å; D169-G172 VanDerWaalsContact OD1-C 3.24Å; D169-G172 VanDerWaalsContact OD1-CA 3.29Å; D169-G172 WeakPolarHBondContact OD1-CA 3.4Å; D169-G172 PolarHBondContact OD1-N 3.47Å; D169-G172 VanDerWaalsContact OD2-C 3.28Å; D169-G172 VanDerWaalsContact OD2-CA 3.32Å; D169-G172 WeakPolarHBondContact OD2-CA 3.13Å; D169-L173 PolarHBondContact OD1-N 3.45Å; D169-C174 HydrophobicContact CB-CB 4.44Å; D169-C174 PolarHBondContact OD1-N 3.46Å; D169-C174 VanDerWaalsContact OD1-N 3.15Å; D169-C174 WeakPolarHBondContact OD2-CB 3.29Å; D169-C174 PolarHBondContact OD2-N 3.17Å; D169-C174 VanDerWaalsContact OD2-N 3.12Å; D169-Q175 WeakPolarHBondContact OD2-CG 3.49Å; D169-Q175 PolarHBondContact OD2-N 3.43Å | ||
| 170 | D | 90.8 | Very high | 91.6 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -29 | -170.7 | -111.2 | 36.2 | 0 | 0 | 0 | 115 | K116 M168 | K116-D170 WeakPolarHBondContact CD-O 3.25Å; K116-D170 WeakPolarHBondContact CE-O 3.4Å; K116-D170 IonicContact NZ-OD2 2.88Å; K116-D170 PolarHBondContact NZ-OD2 3.26Å; M168-D170 WeakPolarHBondContact CE-OD1 3.46Å; M168-D170 PolarHBondContact O-N 2.86Å |
| 171 | Y | 94.4 | Very high | 91.9 | Very high | 89 Ų | 89 | 58.8 Ų | 58.8 | 35% | 0.349 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -8.9 | 179.2 | -75.9 | -97.5 | 0 | 0 | 0 | 112.5 | K116 S119 L157 P158 D169 | K116-Y171 HydrophobicContact CG-CD1 3.68Å; K116-Y171 HydrophobicContact CG-CE1 3.72Å; K116-Y171 HydrophobicContact CG-CG 4.12Å; S119-Y171 WeakPolarHBondContact CB-O 3.46Å; S119-Y171 PolarHBondContact OG-O 2.96Å; L157-Y171 HydrophobicContact CD2-CD1 4.26Å; P158-Y171 HydrophobicContact CG-CD1 3.79Å; P158-Y171 HydrophobicContact CG-CD2 3.51Å; P158-Y171 HydrophobicContact CG-CE1 3.89Å; P158-Y171 HydrophobicContact CG-CE2 3.63Å; P158-Y171 HydrophobicContact CG-CG 3.59Å; D169-Y171 PolarHBondContact O-N 2.93Å |
| 172 | G | 95.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 58 Ų | 58 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | trans | 76.5 | 18.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D169 C176 | D169-G172 VanDerWaalsContact CG-CA 3.43Å; D169-G172 WeakPolarHBondContact O-CA 3.49Å; D169-G172 PolarHBondContact O-N 3.28Å; D169-G172 VanDerWaalsContact OD1-C 3.24Å; D169-G172 VanDerWaalsContact OD1-CA 3.29Å; D169-G172 WeakPolarHBondContact OD1-CA 3.4Å; D169-G172 PolarHBondContact OD1-N 3.47Å; D169-G172 VanDerWaalsContact OD2-C 3.28Å; D169-G172 VanDerWaalsContact OD2-CA 3.32Å; D169-G172 WeakPolarHBondContact OD2-CA 3.13Å; G172-C176 WeakPolarHBondContact O-CB 3.31Å; G172-C176 PolarHBondContact O-N 3.38Å; G172-C176 PolarHBondContact O-SG 2.94Å | ||
| 173 | L | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | -177.2 | 175 | 62.2 | 0 | 0 | 0 | 111 | L154 L157 V159 D169 Q175 C176 C177 P219 F237 | L154-L173 HydrophobicContact CD1-CD1 3.73Å; L154-L173 HydrophobicContact CD2-CD1 4.17Å; L154-L173 HydrophobicContact CG-CD1 3.66Å; L157-L173 HydrophobicContact CB-CB 4.25Å; L157-L173 HydrophobicContact CB-CD1 4.21Å; L157-L173 HydrophobicContact CD1-CB 4.18Å; L157-L173 HydrophobicContact CD1-CD1 4.22Å; V159-L173 HydrophobicContact CB-CD2 4.24Å; V159-L173 HydrophobicContact CG1-CD2 4.41Å; V159-L173 HydrophobicContact CG2-CD2 3.88Å; D169-L173 PolarHBondContact OD1-N 3.45Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-Q175 PolarHBondContact O-N 3.26Å; L173-C176 PolarHBondContact O-N 3.02Å; L173-C177 WeakPolarHBondContact O-CB 3.37Å; L173-C177 PolarHBondContact O-N 3.1Å; L173-C177 PolarHBondContact O-SG 2.92Å; L173-C177 VanDerWaalsContact O-SG 3.39Å; L173-P219 HydrophobicContact CD2-CB 4.16Å; L173-F237 HydrophobicContact CD2-CE1 4.24Å; L173-F237 HydrophobicContact CD2-CZ 4.19Å; L173-F237 HydrophobicContact CG-CE1 4.41Å |
| 174 | C | 94.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | -178.3 | -63 | 0 | 0 | 0 | 0 | 111 | D169 C177 K178 P236 | D169-C174 HydrophobicContact CB-CB 4.44Å; D169-C174 PolarHBondContact OD1-N 3.46Å; D169-C174 VanDerWaalsContact OD1-N 3.15Å; D169-C174 WeakPolarHBondContact OD2-CB 3.29Å; D169-C174 PolarHBondContact OD2-N 3.17Å; D169-C174 VanDerWaalsContact OD2-N 3.12Å; C174-C177 PolarHBondContact O-N 3.08Å; C174-K178 PolarHBondContact O-N 2.98Å; C174-K178 VanDerWaalsContact O-N 3.17Å; C174-P236 HydrophobicContact CB-CB 3.81Å; C174-P236 HydrophobicContact CB-CG 4.07Å |
| 175 | Q | 95.3 | Very high | 94.2 | Very high | 118 Ų | 118 | 50.4 Ų | 50.4 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.6 | -44.1 | 174.2 | -69.2 | 179.3 | 10.4 | 0 | 0 | 112.1 | L123 D169 L173 K178 A179 | L123-Q175 HydrophobicContact CD1-CB 4.35Å; D169-Q175 WeakPolarHBondContact OD2-CG 3.49Å; D169-Q175 PolarHBondContact OD2-N 3.43Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-Q175 PolarHBondContact O-N 3.26Å; Q175-K178 PolarHBondContact O-N 3.3Å; Q175-A179 WeakPolarHBondContact O-CB 3.32Å; Q175-A179 PolarHBondContact O-N 3.4Å |
| 176 | C | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.9 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | S119 I122 L154 G172 L173 K178 A179 L180 | S119-C176 WeakPolarHBondContact CA-SG 3.43Å; S119-C176 WeakPolarHBondContact CB-SG 3.41Å; I122-C176 HydrophobicContact CG2-CB 4.43Å; L154-C176 HydrophobicContact CD1-CB 3.3Å; G172-C176 WeakPolarHBondContact O-CB 3.31Å; G172-C176 PolarHBondContact O-N 3.38Å; G172-C176 PolarHBondContact O-SG 2.94Å; L173-C176 PolarHBondContact O-N 3.02Å; C176-K178 VanDerWaalsContact C-N 3.33Å; C176-K178 PolarHBondContact O-N 3.17Å; C176-A179 PolarHBondContact O-N 3.07Å; C176-L180 WeakPolarHBondContact O-CB 3.24Å; C176-L180 VanDerWaalsContact O-CG 3.3Å; C176-L180 WeakPolarHBondContact O-CG 3.22Å; C176-L180 PolarHBondContact O-N 3.04Å |
| 177 | C | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -47.1 | 173.2 | -78.4 | 0 | 0 | 0 | 0 | 111.4 | L173 C174 L180 I181 F240 | L173-C177 WeakPolarHBondContact O-CB 3.37Å; L173-C177 PolarHBondContact O-N 3.1Å; L173-C177 PolarHBondContact O-SG 2.92Å; L173-C177 VanDerWaalsContact O-SG 3.39Å; C174-C177 PolarHBondContact O-N 3.08Å; C177-L180 PolarHBondContact O-N 3.12Å; C177-I181 WeakPolarHBondContact O-CG1 3.3Å; C177-I181 PolarHBondContact O-N 3.32Å; C177-I181 VanDerWaalsContact O-N 3.15Å; C177-F240 HydrophobicContact CB-CB 4.35Å; C177-F240 HydrophobicContact CB-CD2 3.56Å; C177-F240 HydrophobicContact CB-CE2 3.95Å; C177-F240 HydrophobicContact CB-CG 3.91Å; C177-F240 WeakPolarHBondContact O-CD2 3.49Å; C177-F240 WeakPolarHBondContact O-CE2 3.45Å |
| 178 | K | 96.2 | Very high | 95.2 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 49% | 0.487 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 176.7 | -177.1 | 180 | 176.1 | -174.1 | 0 | 111.8 | C174 Q175 C176 L180 I181 E182 Y239 | C174-K178 PolarHBondContact O-N 2.98Å; C174-K178 VanDerWaalsContact O-N 3.17Å; Q175-K178 PolarHBondContact O-N 3.3Å; C176-K178 VanDerWaalsContact C-N 3.33Å; C176-K178 PolarHBondContact O-N 3.17Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 3.39Å; K178-I181 WeakPolarHBondContact O-CB 3.45Å; K178-I181 PolarHBondContact O-N 2.82Å; K178-I181 VanDerWaalsContact O-N 3.17Å; K178-E182 WeakPolarHBondContact CE-OE1 3.33Å; K178-E182 PolarHBondContact O-N 3.21Å; K178-E182 VanDerWaalsContact O-N 3.14Å; K178-Y239 HydrophobicContact CG-CE1 4.09Å |
| 179 | A | 96.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 13% | 0.132 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -34.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L123 L126 Q175 C176 E182 F183 | L123-A179 HydrophobicContact CD2-CB 3.57Å; L126-A179 HydrophobicContact CD1-CB 3.52Å; Q175-A179 WeakPolarHBondContact O-CB 3.32Å; Q175-A179 PolarHBondContact O-N 3.4Å; C176-A179 PolarHBondContact O-N 3.07Å; A179-E182 PolarHBondContact O-N 3.34Å; A179-F183 WeakPolarHBondContact O-CB 3.26Å; A179-F183 PolarHBondContact O-N 3.25Å |
| 180 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.8 | -35.6 | 174.4 | -78.4 | 172.9 | 0 | 0 | 0 | 112.8 | L126 L150 L154 C176 C177 K178 F183 T184 | L126-L180 HydrophobicContact CD2-CD2 3.92Å; L150-L180 HydrophobicContact CB-CD2 3.95Å; L150-L180 HydrophobicContact CD1-CD2 3.83Å; L150-L180 HydrophobicContact CD2-CD2 4.28Å; L150-L180 HydrophobicContact CG-CD2 4.25Å; L154-L180 HydrophobicContact CB-CD1 4.46Å; L154-L180 HydrophobicContact CD1-CD1 3.96Å; L154-L180 HydrophobicContact CD2-CD1 3.47Å; L154-L180 VanDerWaalsContact CD2-CD1 3.47Å; L154-L180 HydrophobicContact CG-CD1 4.17Å; C176-L180 WeakPolarHBondContact O-CB 3.24Å; C176-L180 VanDerWaalsContact O-CG 3.3Å; C176-L180 WeakPolarHBondContact O-CG 3.22Å; C176-L180 PolarHBondContact O-N 3.04Å; C177-L180 PolarHBondContact O-N 3.12Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 3.39Å; L180-F183 PolarHBondContact O-N 3.27Å; L180-T184 VanDerWaalsContact O-CB 3.29Å; L180-T184 WeakPolarHBondContact O-CB 3.27Å; L180-T184 PolarHBondContact O-N 3.02Å; L180-T184 PolarHBondContact O-OG1 2.82Å |
| 181 | I | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 171.3 | -64.8 | -53.7 | 0 | 0 | 0 | 110 | C177 K178 F183 T184 K185 Y239 F240 E243 I244 F247 | C177-I181 WeakPolarHBondContact O-CG1 3.3Å; C177-I181 PolarHBondContact O-N 3.32Å; C177-I181 VanDerWaalsContact O-N 3.15Å; K178-I181 WeakPolarHBondContact O-CB 3.45Å; K178-I181 PolarHBondContact O-N 2.82Å; K178-I181 VanDerWaalsContact O-N 3.17Å; I181-F183 VanDerWaalsContact C-N 3.29Å; I181-F183 PolarHBondContact O-N 2.83Å; I181-T184 PolarHBondContact O-N 3.42Å; I181-K185 VanDerWaalsContact O-CB 3.26Å; I181-K185 WeakPolarHBondContact O-CB 3.17Å; I181-K185 PolarHBondContact O-N 2.91Å; I181-Y239 HydrophobicContact CB-CE1 4.38Å; I181-Y239 HydrophobicContact CG1-CE1 4.33Å; I181-Y239 HydrophobicContact CG2-CE1 4.32Å; I181-F240 HydrophobicContact CD1-CD2 3.6Å; I181-F240 HydrophobicContact CD1-CE2 3.61Å; I181-F240 HydrophobicContact CG1-CD2 3.57Å; I181-F240 HydrophobicContact CG1-CE2 3.9Å; I181-E243 HydrophobicContact CD1-CB 3.72Å; I181-E243 HydrophobicContact CG1-CB 4.03Å; I181-E243 HydrophobicContact CG2-CB 3.77Å; I181-E243 HydrophobicContact CG2-CG 3.82Å; I181-I244 HydrophobicContact CD1-CD1 3.91Å; I181-I244 HydrophobicContact CD1-CG1 4.12Å; I181-F247 HydrophobicContact CD1-CE2 3.85Å; I181-F247 HydrophobicContact CD1-CZ 4.34Å; I181-F247 HydrophobicContact CG2-CZ 4.03Å |
| 182 | E | 96.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 36.5 Ų | 36.5 | 52% | 0.519 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 178.9 | -68 | 175.9 | -172.1 | 0 | 0 | 111.9 | K178 A179 P186 | K178-E182 WeakPolarHBondContact CE-OE1 3.33Å; K178-E182 PolarHBondContact O-N 3.21Å; K178-E182 VanDerWaalsContact O-N 3.14Å; A179-E182 PolarHBondContact O-N 3.34Å; E182-P186 VanDerWaalsContact O-CD 3.26Å; E182-P186 WeakPolarHBondContact O-CD 3.4Å |
| 183 | F | 97.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 173.9 | 173.2 | -95.8 | 0 | 0 | 0 | 112.9 | L126 L129 Q130 I133 A146 L147 L150 A179 L180 I181 F187 | L126-F183 HydrophobicContact CB-CD2 4.47Å; L126-F183 HydrophobicContact CD2-CB 3.86Å; L126-F183 HydrophobicContact CD2-CD1 4.26Å; L126-F183 HydrophobicContact CD2-CD2 3.75Å; L126-F183 HydrophobicContact CD2-CE2 4.35Å; L126-F183 HydrophobicContact CD2-CG 3.69Å; L126-F183 WeakPolarHBondContact O-CD2 3.5Å; L129-F183 HydrophobicContact CB-CE2 4.21Å; L129-F183 HydrophobicContact CD2-CE2 4.12Å; L129-F183 HydrophobicContact CD2-CZ 4.02Å; L129-F183 HydrophobicContact CG-CE2 4.27Å; L129-F183 HydrophobicContact CG-CZ 4.39Å; Q130-F183 HydrophobicContact CB-CD2 3.86Å; Q130-F183 HydrophobicContact CB-CE2 3.78Å; Q130-F183 HydrophobicContact CG-CD2 4.37Å; Q130-F183 HydrophobicContact CG-CE2 4.42Å; Q130-F183 PolarHBondContact NE2-O 3.17Å; I133-F183 HydrophobicContact CD1-CZ 4Å; A146-F183 HydrophobicContact CB-CZ 4.45Å; L147-F183 HydrophobicContact CD2-CD1 3.96Å; L147-F183 HydrophobicContact CD2-CE1 3.72Å; L147-F183 HydrophobicContact CG-CE1 4.33Å; L150-F183 HydrophobicContact CD1-CD1 4.18Å; L150-F183 HydrophobicContact CD1-CE1 3.85Å; L150-F183 HydrophobicContact CD1-CZ 4.15Å; A179-F183 WeakPolarHBondContact O-CB 3.26Å; A179-F183 PolarHBondContact O-N 3.25Å; L180-F183 PolarHBondContact O-N 3.27Å; I181-F183 VanDerWaalsContact C-N 3.29Å; I181-F183 PolarHBondContact O-N 2.83Å; F183-F187 HydrophobicContact CD1-CE2 4.13Å; F183-F187 HydrophobicContact CD2-CE2 4.46Å; F183-F187 HydrophobicContact CE1-CD2 4.45Å; F183-F187 AromaticContact CE1-CE2 3.73Å; F183-F187 HydrophobicContact CE1-CE2 3.73Å; F183-F187 HydrophobicContact CE2-CE2 4.1Å; F183-F187 HydrophobicContact CE2-CZ 4.45Å; F183-F187 HydrophobicContact CG-CE2 4.47Å; F183-F187 AromaticContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CZ 4.25Å; F183-F187 WeakPolarHBondContact O-CD2 3.21Å; F183-F187 WeakPolarHBondContact O-CE2 3.43Å |
| 184 | T | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -78.9 | -32.2 | -172.2 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | L147 L180 I181 F187 V188 L208 F211 F247 | L147-T184 HydrophobicContact CD2-CG2 4.46Å; L180-T184 VanDerWaalsContact O-CB 3.29Å; L180-T184 WeakPolarHBondContact O-CB 3.27Å; L180-T184 PolarHBondContact O-N 3.02Å; L180-T184 PolarHBondContact O-OG1 2.82Å; I181-T184 PolarHBondContact O-N 3.42Å; T184-F187 WeakPolarHBondContact O-CB 3.4Å; T184-F187 PolarHBondContact O-N 3.05Å; T184-V188 HydrophobicContact CG2-CG2 4.09Å; T184-V188 PolarHBondContact O-N 2.92Å; T184-L208 HydrophobicContact CG2-CD2 3.73Å; T184-F211 HydrophobicContact CG2-CD1 4.07Å; T184-F211 HydrophobicContact CG2-CE1 3.95Å; T184-F247 HydrophobicContact CG2-CD2 4.2Å; T184-F247 HydrophobicContact CG2-CE2 3.87Å |
| 185 | K | 95.9 | Very high | 91.9 | Very high | 89 Ų | 89 | 55.1 Ų | 55.1 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.6 | -45.3 | -172.1 | -178.2 | 171.7 | -176.9 | 170.9 | 0 | 114.3 | I181 F187 V188 E189 F247 | I181-K185 VanDerWaalsContact O-CB 3.26Å; I181-K185 WeakPolarHBondContact O-CB 3.17Å; I181-K185 PolarHBondContact O-N 2.91Å; K185-F187 VanDerWaalsContact C-N 3.26Å; K185-F187 PolarHBondContact O-N 3.32Å; K185-V188 PolarHBondContact O-N 3.27Å; K185-V188 VanDerWaalsContact O-N 3.13Å; K185-E189 WeakPolarHBondContact CE-OE1 3.49Å; K185-E189 HydrophobicContact CG-CG 4.45Å; K185-E189 WeakPolarHBondContact CG-OE1 3.47Å; K185-E189 WeakPolarHBondContact O-CG 3.4Å; K185-E189 PolarHBondContact O-N 3.18Å; K185-F247 HydrophobicContact CB-CE1 4.35Å; K185-F247 HydrophobicContact CB-CZ 4.11Å |
| 186 | P | 94.8 | Very high | 90.6 | Very high | 42 Ų | 42 | 57 Ų | 57 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.5 | -31.7 | 177.7 | -28.2 | 39.7 | 0 | 0 | 0 | 114 | E182 E190 | E182-P186 VanDerWaalsContact O-CD 3.26Å; E182-P186 WeakPolarHBondContact O-CD 3.4Å; P186-E190 WeakPolarHBondContact O-CB 3.41Å; P186-E190 PolarHBondContact O-N 3.2Å |
| 187 | F | 93.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.4 | -32 | 177.6 | -53.3 | -58.7 | 0 | 0 | 0 | 112 | Q130 I133 I143 F183 T184 K185 V191 L208 | Q130-F187 HydrophobicContact CG-CE2 4.41Å; Q130-F187 HydrophobicContact CG-CZ 3.89Å; I133-F187 HydrophobicContact CB-CZ 4.46Å; I133-F187 HydrophobicContact CG2-CE1 3.83Å; I133-F187 HydrophobicContact CG2-CZ 3.99Å; I143-F187 HydrophobicContact CD1-CB 4.33Å; I143-F187 HydrophobicContact CD1-CD1 3.43Å; I143-F187 VanDerWaalsContact CD1-CD1 3.43Å; I143-F187 HydrophobicContact CD1-CE1 3.8Å; I143-F187 HydrophobicContact CD1-CG 3.89Å; I143-F187 HydrophobicContact CG1-CD1 4.03Å; I143-F187 HydrophobicContact CG1-CE1 4Å; I143-F187 HydrophobicContact CG1-CG 4.31Å; I143-F187 HydrophobicContact CG1-CZ 4.28Å; I143-F187 HydrophobicContact CG2-CD2 4.37Å; I143-F187 HydrophobicContact CG2-CG 4.44Å; F183-F187 HydrophobicContact CD1-CE2 4.13Å; F183-F187 HydrophobicContact CD2-CE2 4.46Å; F183-F187 HydrophobicContact CE1-CD2 4.45Å; F183-F187 AromaticContact CE1-CE2 3.73Å; F183-F187 HydrophobicContact CE1-CE2 3.73Å; F183-F187 HydrophobicContact CE2-CE2 4.1Å; F183-F187 HydrophobicContact CE2-CZ 4.45Å; F183-F187 HydrophobicContact CG-CE2 4.47Å; F183-F187 AromaticContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CZ 4.25Å; F183-F187 WeakPolarHBondContact O-CD2 3.21Å; F183-F187 WeakPolarHBondContact O-CE2 3.43Å; T184-F187 WeakPolarHBondContact O-CB 3.4Å; T184-F187 PolarHBondContact O-N 3.05Å; K185-F187 VanDerWaalsContact C-N 3.26Å; K185-F187 PolarHBondContact O-N 3.32Å; F187-V191 WeakPolarHBondContact O-CG2 3.44Å; F187-V191 PolarHBondContact O-N 3.42Å; F187-L208 HydrophobicContact CB-CD2 4.3Å |
| 188 | V | 93.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.3 | -42.2 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | T184 K185 E190 V191 I192 L208 F247 A250 I251 | T184-V188 HydrophobicContact CG2-CG2 4.09Å; T184-V188 PolarHBondContact O-N 2.92Å; K185-V188 PolarHBondContact O-N 3.27Å; K185-V188 VanDerWaalsContact O-N 3.13Å; V188-E190 VanDerWaalsContact C-N 3.32Å; V188-E190 PolarHBondContact O-N 3.47Å; V188-V191 WeakPolarHBondContact O-CB 3.19Å; V188-V191 PolarHBondContact O-N 3.21Å; V188-V191 VanDerWaalsContact O-N 3.12Å; V188-I192 HydrophobicContact CG1-CD1 4.38Å; V188-I192 WeakPolarHBondContact O-CG1 3.4Å; V188-I192 PolarHBondContact O-N 2.93Å; V188-I192 VanDerWaalsContact O-N 3.13Å; V188-L208 HydrophobicContact CG2-CD1 4.11Å; V188-L208 HydrophobicContact CG2-CD2 4.06Å; V188-F247 HydrophobicContact CB-CD1 4.16Å; V188-F247 HydrophobicContact CB-CE1 4.42Å; V188-F247 HydrophobicContact CG1-CB 4.46Å; V188-F247 HydrophobicContact CG1-CD1 3.89Å; V188-F247 HydrophobicContact CG1-CG 4.39Å; V188-F247 HydrophobicContact CG2-CB 4.19Å; V188-F247 HydrophobicContact CG2-CD1 3.83Å; V188-F247 HydrophobicContact CG2-CD2 4.15Å; V188-F247 HydrophobicContact CG2-CE1 4.18Å; V188-F247 HydrophobicContact CG2-CE2 4.48Å; V188-F247 HydrophobicContact CG2-CG 3.81Å; V188-F247 HydrophobicContact CG2-CZ 4.48Å; V188-A250 HydrophobicContact CG1-CB 3.65Å; V188-I251 HydrophobicContact CG1-CG1 4.45Å |
| 189 | E | 92.5 | Very high | 88.1 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 43% | 0.425 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 174.6 | -70.8 | 171.9 | -179.3 | 0 | 0 | 111.5 | K185 V191 I192 D193 | K185-E189 WeakPolarHBondContact CE-OE1 3.49Å; K185-E189 HydrophobicContact CG-CG 4.45Å; K185-E189 WeakPolarHBondContact CG-OE1 3.47Å; K185-E189 WeakPolarHBondContact O-CG 3.4Å; K185-E189 PolarHBondContact O-N 3.18Å; E189-V191 VanDerWaalsContact C-N 3.25Å; E189-V191 PolarHBondContact O-N 3.02Å; E189-I192 PolarHBondContact O-N 3.3Å; E189-I192 VanDerWaalsContact O-N 3.09Å; E189-D193 PolarHBondContact O-N 2.97Å |
| 190 | E | 90.4 | Very high | 87.6 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.9 | -35.5 | 173.6 | -174.7 | 167.9 | -175.3 | 0 | 0 | 112.3 | K139 P186 V188 N194 | K139-E190 IonicContact NZ-OE1 2.8Å; K139-E190 PolarHBondContact NZ-OE1 3.27Å; K139-E190 IonicContact NZ-OE2 3.6Å; K139-E190 PolarHBondContact NZ-OE2 3.28Å; P186-E190 WeakPolarHBondContact O-CB 3.41Å; P186-E190 PolarHBondContact O-N 3.2Å; V188-E190 VanDerWaalsContact C-N 3.32Å; V188-E190 PolarHBondContact O-N 3.47Å; E190-N194 VanDerWaalsContact O-CB 3.3Å; E190-N194 WeakPolarHBondContact O-CB 3.35Å; E190-N194 VanDerWaalsContact O-CG 3.28Å; E190-N194 PolarHBondContact O-N 3.44Å; E190-N194 PolarHBondContact O-ND2 3.35Å |
| 191 | V | 89.2 | Confident | 87.1 | Confident | 8 Ų | 8 | 69 Ų | 69 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.2 | -37.8 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | F187 V188 E189 L204 K205 L208 | F187-V191 WeakPolarHBondContact O-CG2 3.44Å; F187-V191 PolarHBondContact O-N 3.42Å; V188-V191 WeakPolarHBondContact O-CB 3.19Å; V188-V191 PolarHBondContact O-N 3.21Å; V188-V191 VanDerWaalsContact O-N 3.12Å; E189-V191 VanDerWaalsContact C-N 3.25Å; E189-V191 PolarHBondContact O-N 3.02Å; V191-L204 HydrophobicContact CG2-CB 4.4Å; V191-L204 HydrophobicContact CG2-CD2 3.58Å; V191-L204 HydrophobicContact CG2-CG 3.72Å; V191-K205 HydrophobicContact CG1-CD 4.15Å; V191-K205 HydrophobicContact CG1-CG 3.55Å; V191-K205 HydrophobicContact CG2-CG 4.35Å; V191-L208 HydrophobicContact CG2-CD1 3.82Å |
| 192 | I | 87.6 | Confident | 86.7 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | -179.9 | -63.7 | 168.2 | 0 | 0 | 0 | 110.6 | V188 E189 A250 | V188-I192 HydrophobicContact CG1-CD1 4.38Å; V188-I192 WeakPolarHBondContact O-CG1 3.4Å; V188-I192 PolarHBondContact O-N 2.93Å; V188-I192 VanDerWaalsContact O-N 3.13Å; E189-I192 PolarHBondContact O-N 3.3Å; E189-I192 VanDerWaalsContact O-N 3.09Å; I192-A250 HydrophobicContact CD1-CB 3.74Å; I192-A250 HydrophobicContact CG1-CB 3.99Å |
| 193 | D | 84.3 | Confident | 86.3 | Confident | 129 Ų | 129 | 71.1 Ų | 71.1 | 69% | 0.69 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -75.5 | -27.9 | -175.3 | -70.7 | -21.7 | 0 | 0 | 0 | 112.4 | E189 K195 | E189-D193 PolarHBondContact O-N 2.97Å; D193-K195 PolarHBondContact O-N 2.9Å; D193-K195 VanDerWaalsContact O-N 3.07Å |
| 194 | N | 77.5 | Confident | 86.1 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 40% | 0.401 | 35% | 0.354 | S | S | . | . | trans | -76.8 | 93.8 | 178.6 | -82.4 | -41.1 | 0 | 0 | 0 | 112.2 | E190 E196 N201 | E190-N194 VanDerWaalsContact O-CB 3.3Å; E190-N194 WeakPolarHBondContact O-CB 3.35Å; E190-N194 VanDerWaalsContact O-CG 3.28Å; E190-N194 PolarHBondContact O-N 3.44Å; E190-N194 PolarHBondContact O-ND2 3.35Å; N194-E196 PolarHBondContact O-N 3.44Å; N194-N201 PolarHBondContact O-ND2 3.02Å | ||
| 195 | K | 62.4 | Low | 85.8 | Confident | 201 Ų | 201 | 72.9 Ų | 72.9 | 87% | 0.874 | 36% | 0.361 | S | S | * | . | trans | -71.4 | -13.5 | 173.7 | -66.2 | -175.2 | -179.1 | 177.8 | 0 | 114.4 | D193 | D193-K195 PolarHBondContact O-N 2.9Å; D193-K195 VanDerWaalsContact O-N 3.07Å | ||
| 196 | E | 68 | Low | 85.5 | Confident | 157 Ų | 157 | 70.4 Ų | 70.4 | 73% | 0.734 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -83.2 | 125.2 | 178.3 | -112.2 | 174.5 | 179.2 | 0 | 0 | 110.8 | N194 S198 N201 | N194-E196 PolarHBondContact O-N 3.44Å; E196-S198 PolarHBondContact O-N 3.31Å; E196-N201 PolarHBondContact O-ND2 3.14Å |
| 197 | N | 68.9 | Low | 85.3 | Confident | 134 Ų | 134 | 70.8 Ų | 70.8 | 72% | 0.717 | 35% | 0.35 | S | S | * | . | trans | -76 | 61.8 | 171.9 | -75.5 | -11.8 | 0 | 0 | 0 | 110.3 | ||||
| 198 | S | 83.4 | Confident | 85.4 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | trans | -73.6 | 149.4 | 172.2 | 77.2 | 0 | 0 | 0 | 0 | 110 | E196 E200 N201 E202 | E196-S198 PolarHBondContact O-N 3.31Å; S198-E200 PolarHBondContact O-N 2.9Å; S198-N201 PolarHBondContact O-N 2.92Å; S198-N201 VanDerWaalsContact O-N 3.13Å; S198-N201 WeakPolarHBondContact OG-CB 3.34Å; S198-N201 PolarHBondContact OG-N 2.95Å; S198-N201 VanDerWaalsContact OG-N 3.16Å; S198-E202 PolarHBondContact O-N 2.91Å; S198-E202 VanDerWaalsContact O-N 3.16Å | ||
| 199 | L | 85.9 | Confident | 85.3 | Confident | 128 Ų | 128 | 70.7 Ų | 70.7 | 67% | 0.67 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.4 | -31.7 | 176.5 | -178.6 | 63.7 | 0 | 0 | 0 | 112.1 | K203 | L199-K203 WeakPolarHBondContact O-CG 3.46Å; L199-K203 PolarHBondContact O-N 3.29Å; L199-K203 VanDerWaalsContact O-N 3.13Å |
| 200 | E | 86.6 | Confident | 85.2 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 178 | -166.8 | 64.7 | -168.1 | 0 | 0 | 111.9 | N138 K139 A140 S198 K203 L204 | N138-E200 PolarHBondContact OD1-OE1 3.46Å; K139-E200 PolarHBondContact N-OE1 2.83Å; A140-E200 HydrophobicContact CB-CG 4.42Å; A140-E200 VanDerWaalsContact CB-OE1 3.25Å; A140-E200 WeakPolarHBondContact CB-OE1 3.34Å; A140-E200 PolarHBondContact N-OE1 3Å; S198-E200 PolarHBondContact O-N 2.9Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-L204 PolarHBondContact O-N 2.87Å |
| 201 | N | 87 | Confident | 85.4 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.032 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 176.1 | -164.6 | 30.1 | 0 | 0 | 0 | 111.2 | N194 E196 S198 L204 K205 | N194-N201 PolarHBondContact O-ND2 3.02Å; E196-N201 PolarHBondContact O-ND2 3.14Å; S198-N201 PolarHBondContact O-N 2.92Å; S198-N201 VanDerWaalsContact O-N 3.13Å; S198-N201 WeakPolarHBondContact OG-CB 3.34Å; S198-N201 PolarHBondContact OG-N 2.95Å; S198-N201 VanDerWaalsContact OG-N 3.16Å; N201-L204 PolarHBondContact O-N 3.5Å; N201-K205 WeakPolarHBondContact O-CG 3.26Å; N201-K205 PolarHBondContact O-N 3.42Å |
| 202 | E | 87.3 | Confident | 85.7 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.8 | -68.8 | -57.6 | 128.3 | 0 | 0 | 112.5 | S198 L204 K205 D206 | S198-E202 PolarHBondContact O-N 2.91Å; S198-E202 VanDerWaalsContact O-N 3.16Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 2.93Å; E202-K205 PolarHBondContact O-N 3.37Å; E202-K205 IonicContact OE1-NZ 3.67Å; E202-K205 PolarHBondContact OE1-NZ 3.02Å; E202-D206 PolarHBondContact O-N 3.16Å |
| 203 | K | 89.8 | Confident | 85.9 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 172.5 | -71.6 | 173.4 | -178.2 | 177.4 | 0 | 111.9 | A140 L199 E200 D206 E207 | A140-K203 HydrophobicContact CB-CB 3.69Å; L199-K203 WeakPolarHBondContact O-CG 3.46Å; L199-K203 PolarHBondContact O-N 3.29Å; L199-K203 VanDerWaalsContact O-N 3.13Å; E200-K203 PolarHBondContact O-N 3.42Å; K203-D206 PolarHBondContact O-N 2.95Å; K203-E207 WeakPolarHBondContact O-CG 3.39Å; K203-E207 PolarHBondContact O-N 2.94Å |
| 204 | L | 91.6 | Very high | 86.3 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.8 | 178.9 | 56.7 | 0 | 0 | 0 | 111.5 | A140 I143 V191 E200 N201 E202 D206 E207 L208 | A140-L204 HydrophobicContact CB-CB 3.93Å; I143-L204 HydrophobicContact CB-CD1 4.17Å; I143-L204 HydrophobicContact CD1-CD1 3.54Å; I143-L204 HydrophobicContact CG1-CD1 4.45Å; I143-L204 HydrophobicContact CG2-CD1 3.95Å; V191-L204 HydrophobicContact CG2-CB 4.4Å; V191-L204 HydrophobicContact CG2-CD2 3.58Å; V191-L204 HydrophobicContact CG2-CG 3.72Å; E200-L204 PolarHBondContact O-N 2.87Å; N201-L204 PolarHBondContact O-N 3.5Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 2.93Å; L204-D206 VanDerWaalsContact C-N 3.28Å; L204-D206 PolarHBondContact O-N 3.38Å; L204-E207 PolarHBondContact O-N 3.46Å; L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CG 4.06Å; L204-L208 HydrophobicContact CG-CD1 3.92Å; L204-L208 HydrophobicContact CG-CG 4.45Å; L204-L208 WeakPolarHBondContact O-CB 3.28Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.42Å |
| 205 | K | 90.6 | Very high | 87.2 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 15% | 0.152 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 173.3 | -71 | 177.3 | -173.4 | 167.6 | 0 | 111.7 | V191 N201 E202 L208 L209 I251 | V191-K205 HydrophobicContact CG1-CD 4.15Å; V191-K205 HydrophobicContact CG1-CG 3.55Å; V191-K205 HydrophobicContact CG2-CG 4.35Å; N201-K205 WeakPolarHBondContact O-CG 3.26Å; N201-K205 PolarHBondContact O-N 3.42Å; E202-K205 PolarHBondContact O-N 3.37Å; E202-K205 IonicContact OE1-NZ 3.67Å; E202-K205 PolarHBondContact OE1-NZ 3.02Å; K205-L208 PolarHBondContact O-N 3.13Å; K205-L209 VanDerWaalsContact O-CB 3.23Å; K205-L209 WeakPolarHBondContact O-CB 3.32Å; K205-L209 PolarHBondContact O-N 3.33Å; K205-I251 HydrophobicContact CB-CG2 3.66Å; K205-I251 HydrophobicContact CD-CG2 4.48Å; K205-I251 HydrophobicContact CG-CG2 3.82Å |
| 206 | D | 89.2 | Confident | 88.8 | Confident | 37 Ų | 37 | 46 Ų | 46 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 179.2 | -172.7 | 49.6 | 0 | 0 | 0 | 112.1 | E202 K203 L204 L208 L209 K210 L272 | E202-D206 PolarHBondContact O-N 3.16Å; K203-D206 PolarHBondContact O-N 2.95Å; L204-D206 VanDerWaalsContact C-N 3.28Å; L204-D206 PolarHBondContact O-N 3.38Å; D206-L208 PolarHBondContact O-N 2.96Å; D206-L209 WeakPolarHBondContact O-CB 3.36Å; D206-L209 PolarHBondContact O-N 3.05Å; D206-K210 WeakPolarHBondContact O-CG 3.44Å; D206-K210 PolarHBondContact O-N 2.97Å; D206-K210 WeakPolarHBondContact OD2-CE 3.27Å; D206-K210 IonicContact OD2-NZ 2.7Å; D206-K210 PolarHBondContact OD2-NZ 3.35Å; D206-L272 WeakPolarHBondContact OD1-CD2 3.23Å |
| 207 | E | 92.6 | Very high | 89.9 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 23% | 0.229 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 177.8 | -68.6 | -54.1 | 138.8 | 0 | 0 | 112.8 | G144 K203 L204 K210 F211 | G144-E207 WeakPolarHBondContact CA-OE2 3.48Å; K203-E207 WeakPolarHBondContact O-CG 3.39Å; K203-E207 PolarHBondContact O-N 2.94Å; L204-E207 PolarHBondContact O-N 3.46Å; E207-K210 PolarHBondContact O-N 3.09Å; E207-K210 IonicContact OE1-NZ 3.73Å; E207-K210 PolarHBondContact OE1-NZ 3.41Å; E207-F211 PolarHBondContact O-N 3.19Å |
| 208 | L | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 174.2 | -70.2 | 168.5 | 0 | 0 | 0 | 112 | L147 T184 F187 V188 V191 L204 K205 D206 F211 C212 I251 | L147-L208 HydrophobicContact CD1-CD2 3.93Å; T184-L208 HydrophobicContact CG2-CD2 3.73Å; F187-L208 HydrophobicContact CB-CD2 4.3Å; V188-L208 HydrophobicContact CG2-CD1 4.11Å; V188-L208 HydrophobicContact CG2-CD2 4.06Å; V191-L208 HydrophobicContact CG2-CD1 3.82Å; L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CG 4.06Å; L204-L208 HydrophobicContact CG-CD1 3.92Å; L204-L208 HydrophobicContact CG-CG 4.45Å; L204-L208 WeakPolarHBondContact O-CB 3.28Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.42Å; K205-L208 PolarHBondContact O-N 3.13Å; D206-L208 PolarHBondContact O-N 2.96Å; L208-F211 PolarHBondContact O-N 3.45Å; L208-C212 PolarHBondContact O-N 3.38Å; L208-C212 PolarHBondContact O-SG 2.94Å; L208-I251 HydrophobicContact CB-CD1 3.53Å; L208-I251 HydrophobicContact CB-CG1 4.39Å; L208-I251 HydrophobicContact CD1-CD1 4.34Å; L208-I251 HydrophobicContact CD1-CG1 4.45Å |
| 209 | L | 91.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 175.7 | 178.6 | 63.5 | 0 | 0 | 0 | 111.1 | K205 D206 F211 C212 F213 L248 M258 L272 | K205-L209 VanDerWaalsContact O-CB 3.23Å; K205-L209 WeakPolarHBondContact O-CB 3.32Å; K205-L209 PolarHBondContact O-N 3.33Å; D206-L209 WeakPolarHBondContact O-CB 3.36Å; D206-L209 PolarHBondContact O-N 3.05Å; L209-F211 VanDerWaalsContact C-N 3.31Å; L209-F211 PolarHBondContact O-N 2.89Å; L209-C212 WeakPolarHBondContact O-CB 3.35Å; L209-C212 PolarHBondContact O-N 3.07Å; L209-C212 VanDerWaalsContact O-N 3.14Å; L209-F213 HydrophobicContact CD1-CD2 4.06Å; L209-F213 HydrophobicContact CD1-CE2 3.52Å; L209-F213 HydrophobicContact CD1-CZ 3.97Å; L209-F213 HydrophobicContact CD2-CE2 4.02Å; L209-F213 HydrophobicContact CG-CD2 3.94Å; L209-F213 HydrophobicContact CG-CE2 3.54Å; L209-F213 HydrophobicContact CG-CZ 4.42Å; L209-F213 VanDerWaalsContact O-CD2 3.29Å; L209-F213 WeakPolarHBondContact O-CD2 3.46Å; L209-F213 PolarHBondContact O-N 3.13Å; L209-L248 HydrophobicContact CD1-CD2 3.47Å; L209-L248 VanDerWaalsContact CD1-CD2 3.47Å; L209-M258 HydrophobicContact CD1-CE 4.26Å; L209-L272 HydrophobicContact CD2-CD1 3.93Å |
| 210 | K | 91.3 | Very high | 92.1 | Very high | 60 Ų | 60 | 27.4 Ų | 27.4 | 26% | 0.261 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 173.4 | -72.2 | 170.9 | -170 | 159.2 | 0 | 111.3 | D206 E207 C212 F213 K214 | D206-K210 WeakPolarHBondContact O-CG 3.44Å; D206-K210 PolarHBondContact O-N 2.97Å; D206-K210 WeakPolarHBondContact OD2-CE 3.27Å; D206-K210 IonicContact OD2-NZ 2.7Å; D206-K210 PolarHBondContact OD2-NZ 3.35Å; E207-K210 PolarHBondContact O-N 3.09Å; E207-K210 IonicContact OE1-NZ 3.73Å; E207-K210 PolarHBondContact OE1-NZ 3.41Å; K210-C212 VanDerWaalsContact C-N 3.35Å; K210-C212 PolarHBondContact O-N 3.43Å; K210-F213 PolarHBondContact O-N 3.39Å; K210-K214 WeakPolarHBondContact O-CB 3.36Å; K210-K214 WeakPolarHBondContact O-CG 3.33Å; K210-K214 PolarHBondContact O-N 3.3Å |
| 211 | F | 94.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 175.5 | 170.8 | -104.6 | 0 | 0 | 0 | 112.7 | L147 T184 E207 L208 L209 K214 S215 I244 | L147-F211 HydrophobicContact CB-CB 4.21Å; L147-F211 HydrophobicContact CB-CD2 3.99Å; L147-F211 HydrophobicContact CB-CG 4.24Å; L147-F211 HydrophobicContact CD1-CB 3.9Å; L147-F211 HydrophobicContact CD1-CD1 4.43Å; L147-F211 HydrophobicContact CD1-CG 4.04Å; L147-F211 HydrophobicContact CD2-CD1 4.34Å; L147-F211 HydrophobicContact CD2-CD2 3.92Å; L147-F211 HydrophobicContact CD2-CE1 4.47Å; L147-F211 HydrophobicContact CD2-CE2 4.06Å; L147-F211 HydrophobicContact CD2-CG 4.06Å; L147-F211 HydrophobicContact CD2-CZ 4.33Å; L147-F211 HydrophobicContact CG-CD2 4.37Å; L147-F211 HydrophobicContact CG-CG 4.35Å; T184-F211 HydrophobicContact CG2-CD1 4.07Å; T184-F211 HydrophobicContact CG2-CE1 3.95Å; E207-F211 PolarHBondContact O-N 3.19Å; L208-F211 PolarHBondContact O-N 3.45Å; L209-F211 VanDerWaalsContact C-N 3.31Å; L209-F211 PolarHBondContact O-N 2.89Å; F211-K214 PolarHBondContact O-N 3Å; F211-S215 WeakPolarHBondContact CE2-OG 3.41Å; F211-S215 WeakPolarHBondContact CZ-OG 3.41Å; F211-S215 WeakPolarHBondContact O-CB 3.46Å; F211-S215 PolarHBondContact O-N 3.34Å; F211-S215 PolarHBondContact O-OG 3.32Å; F211-I244 HydrophobicContact CD1-CD1 4.4Å; F211-I244 HydrophobicContact CE1-CD1 3.69Å; F211-I244 HydrophobicContact CZ-CD1 4.29Å |
| 212 | C | 95 | Very high | 92.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.8 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | L208 L209 K210 S215 L216 I244 L248 | L208-C212 PolarHBondContact O-N 3.38Å; L208-C212 PolarHBondContact O-SG 2.94Å; L209-C212 WeakPolarHBondContact O-CB 3.35Å; L209-C212 PolarHBondContact O-N 3.07Å; L209-C212 VanDerWaalsContact O-N 3.14Å; K210-C212 VanDerWaalsContact C-N 3.35Å; K210-C212 PolarHBondContact O-N 3.43Å; C212-S215 PolarHBondContact O-N 3.3Å; C212-L216 WeakPolarHBondContact O-CG 3.4Å; C212-L216 PolarHBondContact O-N 2.88Å; C212-I244 HydrophobicContact CB-CG2 4.01Å; C212-L248 HydrophobicContact CB-CD2 3.55Å; C212-L248 HydrophobicContact CB-CG 3.99Å |
| 213 | F | 92.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 23.1 Ų | 23.1 | 8% | 0.079 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 176 | -73 | -54.2 | 0 | 0 | 0 | 112.4 | L209 K210 S215 L216 K217 M258 L282 S285 M286 | L209-F213 HydrophobicContact CD1-CD2 4.06Å; L209-F213 HydrophobicContact CD1-CE2 3.52Å; L209-F213 HydrophobicContact CD1-CZ 3.97Å; L209-F213 HydrophobicContact CD2-CE2 4.02Å; L209-F213 HydrophobicContact CG-CD2 3.94Å; L209-F213 HydrophobicContact CG-CE2 3.54Å; L209-F213 HydrophobicContact CG-CZ 4.42Å; L209-F213 VanDerWaalsContact O-CD2 3.29Å; L209-F213 WeakPolarHBondContact O-CD2 3.46Å; L209-F213 PolarHBondContact O-N 3.13Å; K210-F213 PolarHBondContact O-N 3.39Å; F213-S215 VanDerWaalsContact C-N 3.25Å; F213-S215 PolarHBondContact O-N 3.26Å; F213-L216 HydrophobicContact CD1-CD1 4.39Å; F213-L216 PolarHBondContact O-N 3.42Å; F213-L216 VanDerWaalsContact O-N 3.14Å; F213-K217 PolarHBondContact O-N 2.99Å; F213-M258 HydrophobicContact CD1-CE 4.34Å; F213-M258 HydrophobicContact CE1-CE 3.17Å; F213-M258 HydrophobicContact CE2-CE 4.18Å; F213-M258 HydrophobicContact CZ-CE 3.07Å; F213-L282 HydrophobicContact CD1-CD1 3.72Å; F213-L282 HydrophobicContact CD2-CD1 4.16Å; F213-L282 HydrophobicContact CE1-CD1 3.41Å; F213-L282 VanDerWaalsContact CE1-CD1 3.41Å; F213-L282 HydrophobicContact CE2-CD1 3.87Å; F213-L282 HydrophobicContact CG-CD1 4.07Å; F213-L282 HydrophobicContact CZ-CD1 3.47Å; F213-L282 VanDerWaalsContact CZ-CD1 3.47Å; F213-S285 PolarHBondContact O-OG 2.92Å; F213-M286 HydrophobicContact CE1-SD 3.92Å |
| 214 | K | 93.5 | Very high | 93.2 | Very high | 54 Ų | 54 | 20.8 Ų | 20.8 | 24% | 0.235 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -51.1 | -47.4 | 172.3 | -82 | -178.6 | 177 | -173.9 | 0 | 111.3 | S148 W151 K210 F211 K217 C218 | S148-K214 PolarHBondContact OG-NZ 3.18Å; W151-K214 HydrophobicContact CD2-CB 3.69Å; W151-K214 HydrophobicContact CD2-CD 3.9Å; W151-K214 HydrophobicContact CD2-CG 4.02Å; W151-K214 HydrophobicContact CE3-CB 4.3Å; W151-K214 HydrophobicContact CE3-CD 3.77Å; W151-K214 HydrophobicContact CE3-CG 4.12Å; W151-K214 HydrophobicContact CG-CB 3.89Å; W151-K214 HydrophobicContact CG-CD 4.26Å; W151-K214 HydrophobicContact CH2-CG 4.33Å; W151-K214 HydrophobicContact CZ2-CB 3.94Å; W151-K214 HydrophobicContact CZ2-CG 4.23Å; W151-K214 WeakPolarHBondContact CZ2-O 3.31Å; W151-K214 HydrophobicContact CZ3-CD 4.24Å; W151-K214 HydrophobicContact CZ3-CG 4.29Å; W151-K214 PolarHBondContact NE1-O 3.4Å; K210-K214 WeakPolarHBondContact O-CB 3.36Å; K210-K214 WeakPolarHBondContact O-CG 3.33Å; K210-K214 PolarHBondContact O-N 3.3Å; F211-K214 PolarHBondContact O-N 3Å; K214-K217 PolarHBondContact O-N 2.92Å; K214-C218 PolarHBondContact O-N 3.43Å |
| 215 | S | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.3 | -37.3 | 178.8 | -62.5 | 0 | 0 | 0 | 0 | 113.9 | F211 C212 F213 C218 L220 | F211-S215 WeakPolarHBondContact CE2-OG 3.41Å; F211-S215 WeakPolarHBondContact CZ-OG 3.41Å; F211-S215 WeakPolarHBondContact O-CB 3.46Å; F211-S215 PolarHBondContact O-N 3.34Å; F211-S215 PolarHBondContact O-OG 3.32Å; C212-S215 PolarHBondContact O-N 3.3Å; F213-S215 VanDerWaalsContact C-N 3.25Å; F213-S215 PolarHBondContact O-N 3.26Å; S215-C218 CarbonylContact C-O 3.51Å; S215-C218 VanDerWaalsContact CA-O 3.26Å; S215-C218 WeakPolarHBondContact CA-O 3.49Å; S215-C218 CarbonylContact O-C 3.15Å; S215-C218 VanDerWaalsContact O-C 3.32Å; S215-L220 WeakPolarHBondContact O-CG 3.37Å |
| 216 | L | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 173.6 | -75.9 | 169.4 | 0 | 0 | 0 | 111.7 | C212 F213 L220 L221 I244 L248 S288 L289 L292 | C212-L216 WeakPolarHBondContact O-CG 3.4Å; C212-L216 PolarHBondContact O-N 2.88Å; F213-L216 HydrophobicContact CD1-CD1 4.39Å; F213-L216 PolarHBondContact O-N 3.42Å; F213-L216 VanDerWaalsContact O-N 3.14Å; L216-L220 HydrophobicContact CD2-CD1 4.16Å; L216-L220 WeakPolarHBondContact O-CB 3.31Å; L216-L221 PolarHBondContact O-N 3.36Å; L216-I244 HydrophobicContact CD2-CG2 4.36Å; L216-I244 HydrophobicContact CG-CG2 4.06Å; L216-L248 HydrophobicContact CD1-CD1 3.99Å; L216-S288 WeakPolarHBondContact O-CB 3.4Å; L216-S288 PolarHBondContact O-OG 3.43Å; L216-L289 HydrophobicContact CD1-CB 4.13Å; L216-L289 HydrophobicContact CD1-CD1 4.36Å; L216-L289 HydrophobicContact CD1-CD2 4.36Å; L216-L289 HydrophobicContact CD2-CB 4.22Å; L216-L289 HydrophobicContact CD2-CD1 4.18Å; L216-L292 HydrophobicContact CD2-CD1 3.68Å |
| 217 | K | 92.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 24% | 0.239 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.5 | -50.6 | 174.8 | -177.6 | -177.5 | 179.9 | -168.5 | 0 | 111.9 | F213 K214 L221 Q281 D284 | F213-K217 PolarHBondContact O-N 2.99Å; K214-K217 PolarHBondContact O-N 2.92Å; K217-L221 WeakPolarHBondContact O-CB 3.16Å; K217-L221 PolarHBondContact O-N 2.92Å; K217-Q281 HydrophobicContact CD-CB 4.4Å; K217-D284 HydrophobicContact CD-CB 4.37Å; K217-D284 WeakPolarHBondContact CE-OD2 3.38Å; K217-D284 HydrophobicContact CG-CB 3.99Å |
| 218 | C | 92.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 33.2 Ų | 33.2 | 18% | 0.176 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139.4 | 128.3 | 178 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | W151 K214 S215 | W151-C218 HydrophobicContact CZ2-CB 3.77Å; W151-C218 PolarHBondContact NE1-O 3.04Å; K214-C218 PolarHBondContact O-N 3.43Å; S215-C218 CarbonylContact C-O 3.51Å; S215-C218 VanDerWaalsContact CA-O 3.26Å; S215-C218 WeakPolarHBondContact CA-O 3.49Å; S215-C218 CarbonylContact O-C 3.15Å; S215-C218 VanDerWaalsContact O-C 3.32Å |
| 219 | P | 94.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89 | -5.9 | 9.5 | 34.2 | -35.7 | 0 | 0 | 0 | 114.9 | V159 L173 L221 T222 A223 F237 F240 | V159-P219 HydrophobicContact CG2-CB 3.71Å; L173-P219 HydrophobicContact CD2-CB 4.16Å; P219-L221 VanDerWaalsContact C-N 3.32Å; P219-L221 PolarHBondContact O-N 2.91Å; P219-T222 PolarHBondContact O-N 3.37Å; P219-T222 PolarHBondContact O-OG1 2.98Å; P219-A223 WeakPolarHBondContact O-CB 3.21Å; P219-A223 PolarHBondContact O-N 3.41Å; P219-A223 VanDerWaalsContact O-N 3.09Å; P219-F237 HydrophobicContact CB-CE1 4.42Å; P219-F237 HydrophobicContact CG-CD1 4.41Å; P219-F237 HydrophobicContact CG-CE1 4.21Å; P219-F240 HydrophobicContact CG-CE1 4.33Å |
| 220 | L | 96.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23.5 | -163.5 | -69 | 174.7 | 0 | 0 | 0 | 115.1 | S215 L216 F225 F237 F240 A241 L292 K334 | S215-L220 WeakPolarHBondContact O-CG 3.37Å; L216-L220 HydrophobicContact CD2-CD1 4.16Å; L216-L220 WeakPolarHBondContact O-CB 3.31Å; L220-F225 HydrophobicContact CD2-CZ 4.34Å; L220-F237 HydrophobicContact CD2-CB 4.2Å; L220-F240 HydrophobicContact CD1-CD1 3.94Å; L220-F240 HydrophobicContact CD1-CE1 4.29Å; L220-F240 HydrophobicContact CD2-CD1 3.98Å; L220-F240 HydrophobicContact CG-CD1 3.91Å; L220-F240 HydrophobicContact CG-CE1 4.32Å; L220-A241 HydrophobicContact CD1-CB 3.86Å; L220-A241 HydrophobicContact CD2-CB 3.93Å; L220-L292 HydrophobicContact CB-CD1 4.33Å; L220-L292 HydrophobicContact CD1-CD1 4Å; L220-K334 PolarHBondContact O-NZ 3.24Å |
| 221 | L | 95.5 | Very high | 82.4 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -39.9 | 177.7 | -173.6 | 69.9 | 0 | 0 | 0 | 112 | L216 K217 P219 D284 F323 V331 K334 | L216-L221 PolarHBondContact O-N 3.36Å; K217-L221 WeakPolarHBondContact O-CB 3.16Å; K217-L221 PolarHBondContact O-N 2.92Å; P219-L221 VanDerWaalsContact C-N 3.32Å; P219-L221 PolarHBondContact O-N 2.91Å; L221-D284 HydrophobicContact CD2-CB 4.2Å; L221-F323 HydrophobicContact CD1-CD1 4.21Å; L221-F323 HydrophobicContact CD1-CE1 3.45Å; L221-F323 VanDerWaalsContact CD1-CE1 3.45Å; L221-F323 HydrophobicContact CD1-CZ 4.09Å; L221-V331 HydrophobicContact CD1-CG1 4.42Å; L221-V331 HydrophobicContact CD2-CG1 4.43Å; L221-V331 HydrophobicContact CG-CG1 4.22Å; L221-V331 HydrophobicContact CG-CG2 4.27Å; L221-K334 WeakPolarHBondContact O-CD 3.39Å; L221-K334 WeakPolarHBondContact O-CE 3.41Å; L221-K334 PolarHBondContact O-NZ 2.72Å |
| 222 | T | 94.4 | Very high | 80 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -18.1 | -177.1 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | V159 P219 S330 V331 | V159-T222 VanDerWaalsContact CG2-OG1 3.27Å; V159-T222 WeakPolarHBondContact CG2-OG1 3.37Å; P219-T222 PolarHBondContact O-N 3.37Å; P219-T222 PolarHBondContact O-OG1 2.98Å; T222-S330 VanDerWaalsContact O-CB 3.26Å; T222-S330 WeakPolarHBondContact O-CB 3.36Å; T222-S330 PolarHBondContact O-OG 3.15Å; T222-V331 HydrophobicContact CG2-CG2 3.77Å |
| 223 | A | 93.8 | Very high | 78 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -57.7 | 136.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V159 P219 F237 K334 | V159-A223 HydrophobicContact CG1-CB 3.96Å; P219-A223 WeakPolarHBondContact O-CB 3.21Å; P219-A223 PolarHBondContact O-N 3.41Å; P219-A223 VanDerWaalsContact O-N 3.09Å; A223-F237 HydrophobicContact CB-CB 4.13Å; A223-F237 HydrophobicContact CB-CD1 4.14Å; A223-F237 HydrophobicContact CB-CD2 3.86Å; A223-F237 HydrophobicContact CB-CE2 4.33Å; A223-F237 HydrophobicContact CB-CG 3.77Å; A223-K334 PolarHBondContact O-NZ 3.4Å | ||
| 224 | Q | 89.8 | Confident | 77 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | trans | -96 | 149.3 | 169.1 | -66.1 | -61 | -52.8 | 0 | 0 | 109.7 | Y161 S330 | Y161-Q224 HydrophobicContact CD1-CG 4.33Å; Q224-S330 VanDerWaalsContact NE2-CB 3.25Å; Q224-S330 PolarHBondContact NE2-O 2.95Å | ||
| 225 | F | 87.6 | Confident | 76.7 | Confident | 24 Ų | 24 | 61 Ų | 61 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | trans | -112.2 | 140.2 | -177.9 | -64.6 | -87.3 | 0 | 0 | 0 | 110.1 | L220 D235 F237 R238 Y291 L292 Q296 | L220-F225 HydrophobicContact CD2-CZ 4.34Å; F225-D235 WeakPolarHBondContact CA-OD2 3.19Å; F225-F237 HydrophobicContact CD1-CB 4.45Å; F225-F237 HydrophobicContact CE1-CB 3.84Å; F225-F237 HydrophobicContact CZ-CB 4.3Å; F225-R238 HydrophobicContact CD1-CB 4.21Å; F225-R238 HydrophobicContact CE1-CB 4.41Å; F225-Y291 AromaticContact CD2-CE1 3.86Å; F225-Y291 HydrophobicContact CD2-CE1 3.86Å; F225-Y291 HydrophobicContact CE2-CD1 4.46Å; F225-Y291 AromaticContact CE2-CE1 3.91Å; F225-Y291 HydrophobicContact CE2-CE1 3.91Å; F225-L292 HydrophobicContact CE1-CD2 3.93Å; F225-L292 HydrophobicContact CE2-CD2 3.74Å; F225-L292 HydrophobicContact CZ-CD2 3.23Å; F225-Q296 HydrophobicContact CB-CG 4.48Å; F225-Q296 HydrophobicContact CD1-CG 4.44Å; F225-Q296 HydrophobicContact CD2-CG 3.88Å; F225-Q296 HydrophobicContact CE2-CG 4.3Å; F225-Q296 HydrophobicContact CG-CG 3.98Å | ||
| 226 | L | 77.2 | Confident | 76.5 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | trans | -70.7 | 132.7 | 176.4 | -59.4 | 175.8 | 0 | 0 | 0 | 109.6 | K163 I166 Q228 D235 | K163-L226 HydrophobicContact CB-CD2 4.08Å; K163-L226 HydrophobicContact CD-CD2 3.66Å; K163-L226 HydrophobicContact CG-CD2 3.4Å; K163-L226 VanDerWaalsContact CG-CD2 3.4Å; I166-L226 HydrophobicContact CD1-CD2 4.31Å; L226-Q228 PolarHBondContact O-N 3.39Å; L226-D235 HydrophobicContact CD1-CB 4.33Å; L226-D235 PolarHBondContact N-OD2 3.17Å | ||
| 227 | E | 66.7 | Low | 76.5 | Confident | 166 Ų | 166 | 62.8 Ų | 62.8 | 78% | 0.776 | 35% | 0.353 | S | S | * | . | trans | -52 | 137.8 | 167.6 | -73.1 | -179.1 | 167.8 | 0 | 0 | 109.7 | S229 | E227-S229 PolarHBondContact O-N 3.26Š| ||
| 228 | Q | 56.8 | Low | 76.5 | Confident | 147 Ų | 147 | 63.9 Ų | 63.9 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | trans | -61.9 | 96 | -179.3 | -62.6 | -176.4 | 10.1 | 0 | 0 | 109.5 | L226 | L226-Q228 PolarHBondContact O-N 3.39Š| ||
| 229 | S | 45.2 | Very low | 76.6 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | trans | -76.9 | 144.9 | 167.2 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | E227 E231 | E227-S229 PolarHBondContact O-N 3.26Å; S229-E231 PolarHBondContact O-N 3.39Å; S229-E231 PolarHBondContact OG-O 3Å | ||
| 230 | E | 41.7 | Very low | 76.7 | Confident | 211 Ų | 211 | 65.8 Ų | 65.8 | 99% | 0.986 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -59.9 | -21.7 | 170.7 | -63.5 | -169.2 | 158.5 | 0 | 0 | 112.2 | G232 | E230-G232 PolarHBondContact O-N 3.4Š|
| 231 | E | 39.4 | Very low | 76.7 | Confident | 165 Ų | 165 | 65.8 Ų | 65.8 | 77% | 0.771 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -81.7 | 111.9 | 169.4 | -66.5 | 178.3 | 171.4 | 0 | 0 | 109.2 | S229 G233 | S229-E231 PolarHBondContact O-N 3.39Å; S229-E231 PolarHBondContact OG-O 3Å; E231-G233 PolarHBondContact O-N 2.88Å |
| 232 | G | 44.3 | Very low | 76.7 | Confident | 84 Ų | 84 | 67 Ų | 67 | 87% | 0.866 | 37% | 0.368 | S | S | * | . | trans | -65.5 | 55 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | E230 N234 | E230-G232 PolarHBondContact O-N 3.4Å; G232-N234 PolarHBondContact O-N 3.03Å | ||
| 233 | G | 52.8 | Low | 76.8 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 62% | 0.619 | 37% | 0.369 | S | S | * | . | trans | -66.4 | 119.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | E231 D235 | E231-G233 PolarHBondContact O-N 2.88Å; G233-D235 PolarHBondContact O-N 3.16Å | ||
| 234 | N | 72 | Confident | 76.9 | Confident | 128 Ų | 128 | 67.6 Ų | 67.6 | 68% | 0.684 | 37% | 0.369 | S | S | * | . | trans | -83.2 | 104.3 | -178.4 | -154.1 | 11 | 0 | 0 | 0 | 109.4 | G232 P236 | G232-N234 PolarHBondContact O-N 3.03Å; N234-P236 WeakPolarHBondContact O-CD 3.41Å | ||
| 235 | D | 87.2 | Confident | 77.2 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | trans | -58.8 | 119.2 | 175.3 | 178.7 | -34.4 | 0 | 0 | 0 | 110 | F225 L226 G233 F237 R238 Y239 | F225-D235 WeakPolarHBondContact CA-OD2 3.19Å; L226-D235 HydrophobicContact CD1-CB 4.33Å; L226-D235 PolarHBondContact N-OD2 3.17Å; G233-D235 PolarHBondContact O-N 3.16Å; D235-F237 VanDerWaalsContact C-N 3.31Å; D235-F237 PolarHBondContact O-N 3.29Å; D235-F237 PolarHBondContact OD1-N 3.17Å; D235-R238 HydrophobicContact CB-CB 3.71Å; D235-R238 PolarHBondContact O-N 2.86Å; D235-R238 VanDerWaalsContact O-N 3.17Å; D235-R238 PolarHBondContact OD1-N 2.96Å; D235-Y239 PolarHBondContact O-N 3.25Å | ||
| 236 | P | 91.8 | Very high | 77.5 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 24% | 0.24 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -37.7 | -176.8 | -24.6 | 34.3 | 0 | 0 | 0 | 113.6 | I166 C174 N234 Y239 F240 | I166-P236 HydrophobicContact CG2-CG 3.94Å; C174-P236 HydrophobicContact CB-CB 3.81Å; C174-P236 HydrophobicContact CB-CG 4.07Å; N234-P236 WeakPolarHBondContact O-CD 3.41Å; P236-Y239 PolarHBondContact O-N 3.39Å; P236-F240 WeakPolarHBondContact O-CB 3.48Å; P236-F240 PolarHBondContact O-N 3.48Å |
| 237 | F | 93.7 | Very high | 78.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -75.3 | -31.6 | 179.4 | -62.9 | -55.9 | 0 | 0 | 0 | 111.4 | V159 P160 I166 L173 P219 L220 A223 F225 D235 F240 A241 | V159-F237 HydrophobicContact CG1-CE2 4.2Å; V159-F237 HydrophobicContact CG1-CZ 3.95Å; P160-F237 HydrophobicContact CG-CE2 3.93Å; P160-F237 HydrophobicContact CG-CZ 3.87Å; I166-F237 HydrophobicContact CG1-CE2 4.32Å; L173-F237 HydrophobicContact CD2-CE1 4.24Å; L173-F237 HydrophobicContact CD2-CZ 4.19Å; L173-F237 HydrophobicContact CG-CE1 4.41Å; P219-F237 HydrophobicContact CB-CE1 4.42Å; P219-F237 HydrophobicContact CG-CD1 4.41Å; P219-F237 HydrophobicContact CG-CE1 4.21Å; L220-F237 HydrophobicContact CD2-CB 4.2Å; A223-F237 HydrophobicContact CB-CB 4.13Å; A223-F237 HydrophobicContact CB-CD1 4.14Å; A223-F237 HydrophobicContact CB-CD2 3.86Å; A223-F237 HydrophobicContact CB-CE2 4.33Å; A223-F237 HydrophobicContact CB-CG 3.77Å; F225-F237 HydrophobicContact CD1-CB 4.45Å; F225-F237 HydrophobicContact CE1-CB 3.84Å; F225-F237 HydrophobicContact CZ-CB 4.3Å; D235-F237 VanDerWaalsContact C-N 3.31Å; D235-F237 PolarHBondContact O-N 3.29Å; D235-F237 PolarHBondContact OD1-N 3.17Å; F237-F240 PolarHBondContact O-N 2.95Å; F237-A241 VanDerWaalsContact O-CB 3.22Å; F237-A241 WeakPolarHBondContact O-CB 3.17Å; F237-A241 PolarHBondContact O-N 3.01Å |
| 238 | R | 93.6 | Very high | 79.6 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 172.2 | -164.7 | 176.2 | -167.8 | -178.2 | 5.7 | 111.6 | F225 D235 S242 Q296 I298 | F225-R238 HydrophobicContact CD1-CB 4.21Å; F225-R238 HydrophobicContact CE1-CB 4.41Å; D235-R238 HydrophobicContact CB-CB 3.71Å; D235-R238 PolarHBondContact O-N 2.86Å; D235-R238 VanDerWaalsContact O-N 3.17Å; D235-R238 PolarHBondContact OD1-N 2.96Å; R238-S242 VanDerWaalsContact O-CB 3.31Å; R238-S242 WeakPolarHBondContact O-CB 3.21Å; R238-S242 PolarHBondContact O-N 3.01Å; R238-Q296 PolarHBondContact NH2-O 3.5Å; R238-I298 HydrophobicContact CG-CD1 3.9Å; R238-I298 HydrophobicContact CG-CG1 4.26Å |
| 239 | Y | 93.8 | Very high | 81.2 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 172.4 | 172.1 | -102.3 | 0 | 0 | 0 | 111 | K178 I181 D235 P236 A241 S242 E243 | K178-Y239 HydrophobicContact CG-CE1 4.09Å; I181-Y239 HydrophobicContact CB-CE1 4.38Å; I181-Y239 HydrophobicContact CG1-CE1 4.33Å; I181-Y239 HydrophobicContact CG2-CE1 4.32Å; D235-Y239 PolarHBondContact O-N 3.25Å; P236-Y239 PolarHBondContact O-N 3.39Å; Y239-A241 PolarHBondContact O-N 3.05Å; Y239-S242 PolarHBondContact O-N 3.12Å; Y239-E243 HydrophobicContact CD2-CG 4.23Å; Y239-E243 HydrophobicContact CE1-CG 4.31Å; Y239-E243 HydrophobicContact CE2-CG 3.79Å; Y239-E243 WeakPolarHBondContact O-CG 3.27Å; Y239-E243 PolarHBondContact O-N 2.82Å |
| 240 | F | 96.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 178.8 | -170.8 | -109.8 | 0 | 0 | 0 | 111.9 | C177 I181 P219 L220 P236 F237 S242 E243 I244 | C177-F240 HydrophobicContact CB-CB 4.35Å; C177-F240 HydrophobicContact CB-CD2 3.56Å; C177-F240 HydrophobicContact CB-CE2 3.95Å; C177-F240 HydrophobicContact CB-CG 3.91Å; C177-F240 WeakPolarHBondContact O-CD2 3.49Å; C177-F240 WeakPolarHBondContact O-CE2 3.45Å; I181-F240 HydrophobicContact CD1-CD2 3.6Å; I181-F240 HydrophobicContact CD1-CE2 3.61Å; I181-F240 HydrophobicContact CG1-CD2 3.57Å; I181-F240 HydrophobicContact CG1-CE2 3.9Å; P219-F240 HydrophobicContact CG-CE1 4.33Å; L220-F240 HydrophobicContact CD1-CD1 3.94Å; L220-F240 HydrophobicContact CD1-CE1 4.29Å; L220-F240 HydrophobicContact CD2-CD1 3.98Å; L220-F240 HydrophobicContact CG-CD1 3.91Å; L220-F240 HydrophobicContact CG-CE1 4.32Å; P236-F240 WeakPolarHBondContact O-CB 3.48Å; P236-F240 PolarHBondContact O-N 3.48Å; F237-F240 PolarHBondContact O-N 2.95Å; F240-S242 PolarHBondContact O-N 2.94Å; F240-E243 PolarHBondContact O-N 2.94Å; F240-I244 HydrophobicContact CD1-CG1 4.3Å; F240-I244 HydrophobicContact CE1-CG1 4.02Å; F240-I244 HydrophobicContact CE2-CD1 4.38Å; F240-I244 HydrophobicContact CE2-CG1 4.35Å; F240-I244 HydrophobicContact CZ-CD1 4.1Å; F240-I244 HydrophobicContact CZ-CG1 4.04Å; F240-I244 VanDerWaalsContact O-CG1 3.28Å; F240-I244 WeakPolarHBondContact O-CG1 3.2Å; F240-I244 PolarHBondContact O-N 3.45Å |
| 241 | A | 96.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L220 F237 Y239 E243 I244 I245 L292 I298 | L220-A241 HydrophobicContact CD1-CB 3.86Å; L220-A241 HydrophobicContact CD2-CB 3.93Å; F237-A241 VanDerWaalsContact O-CB 3.22Å; F237-A241 WeakPolarHBondContact O-CB 3.17Å; F237-A241 PolarHBondContact O-N 3.01Å; Y239-A241 PolarHBondContact O-N 3.05Å; A241-E243 VanDerWaalsContact C-N 3.3Å; A241-E243 PolarHBondContact O-N 3.23Å; A241-I244 PolarHBondContact O-N 2.86Å; A241-I245 WeakPolarHBondContact O-CB 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.5Å; A241-I245 PolarHBondContact O-N 2.87Å; A241-L292 HydrophobicContact CB-CD1 3.95Å; A241-L292 HydrophobicContact CB-CD2 3.85Å; A241-L292 HydrophobicContact CB-CG 4.45Å; A241-I298 HydrophobicContact CB-CD1 3.64Å |
| 242 | S | 95.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 32.1 Ų | 32.1 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | R238 Y239 F240 G246 R299 | R238-S242 VanDerWaalsContact O-CB 3.31Å; R238-S242 WeakPolarHBondContact O-CB 3.21Å; R238-S242 PolarHBondContact O-N 3.01Å; Y239-S242 PolarHBondContact O-N 3.12Å; F240-S242 PolarHBondContact O-N 2.94Å; S242-G246 PolarHBondContact O-N 3.01Å; S242-R299 PolarHBondContact O-NE 3.33Å; S242-R299 PolarHBondContact O-NH2 3.31Å |
| 243 | E | 96.8 | Very high | 89.2 | Confident | 38 Ų | 38 | 30.5 Ų | 30.5 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.3 | -43.2 | 179.2 | -67.6 | -63.9 | 116 | 0 | 0 | 111.6 | I181 Y239 F240 A241 I245 G246 F247 | I181-E243 HydrophobicContact CD1-CB 3.72Å; I181-E243 HydrophobicContact CG1-CB 4.03Å; I181-E243 HydrophobicContact CG2-CB 3.77Å; I181-E243 HydrophobicContact CG2-CG 3.82Å; Y239-E243 HydrophobicContact CD2-CG 4.23Å; Y239-E243 HydrophobicContact CE1-CG 4.31Å; Y239-E243 HydrophobicContact CE2-CG 3.79Å; Y239-E243 WeakPolarHBondContact O-CG 3.27Å; Y239-E243 PolarHBondContact O-N 2.82Å; F240-E243 PolarHBondContact O-N 2.94Å; A241-E243 VanDerWaalsContact C-N 3.3Å; A241-E243 PolarHBondContact O-N 3.23Å; E243-I245 PolarHBondContact O-N 3.33Å; E243-G246 CarbonylContact O-C 3.32Å; E243-G246 VanDerWaalsContact O-CA 3.3Å; E243-G246 WeakPolarHBondContact O-CA 3.31Å; E243-G246 PolarHBondContact O-N 3.15Å; E243-F247 WeakPolarHBondContact O-CD1 3.24Å; E243-F247 WeakPolarHBondContact O-CG 3.48Å; E243-F247 PolarHBondContact O-N 2.86Å |
| 244 | I | 96.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 175.3 | -66.7 | -64.1 | 0 | 0 | 0 | 111.7 | I181 F211 C212 L216 F240 A241 G246 F247 L248 | I181-I244 HydrophobicContact CD1-CD1 3.91Å; I181-I244 HydrophobicContact CD1-CG1 4.12Å; F211-I244 HydrophobicContact CD1-CD1 4.4Å; F211-I244 HydrophobicContact CE1-CD1 3.69Å; F211-I244 HydrophobicContact CZ-CD1 4.29Å; C212-I244 HydrophobicContact CB-CG2 4.01Å; L216-I244 HydrophobicContact CD2-CG2 4.36Å; L216-I244 HydrophobicContact CG-CG2 4.06Å; F240-I244 HydrophobicContact CD1-CG1 4.3Å; F240-I244 HydrophobicContact CE1-CG1 4.02Å; F240-I244 HydrophobicContact CE2-CD1 4.38Å; F240-I244 HydrophobicContact CE2-CG1 4.35Å; F240-I244 HydrophobicContact CZ-CD1 4.1Å; F240-I244 HydrophobicContact CZ-CG1 4.04Å; F240-I244 VanDerWaalsContact O-CG1 3.28Å; F240-I244 WeakPolarHBondContact O-CG1 3.2Å; F240-I244 PolarHBondContact O-N 3.45Å; A241-I244 PolarHBondContact O-N 2.86Å; I244-G246 PolarHBondContact O-N 2.86Å; I244-F247 HydrophobicContact CD1-CD2 4.18Å; I244-F247 PolarHBondContact O-N 3.25Å; I244-L248 PolarHBondContact O-N 3.43Å; I244-L248 VanDerWaalsContact O-N 3.07Å |
| 245 | I | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.1 | -30.8 | 175.8 | -60.6 | 167.6 | 0 | 0 | 0 | 110.7 | A241 E243 S249 F255 L289 L292 I298 R299 | A241-I245 WeakPolarHBondContact O-CB 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.5Å; A241-I245 PolarHBondContact O-N 2.87Å; E243-I245 PolarHBondContact O-N 3.33Å; I245-S249 PolarHBondContact O-N 2.96Å; I245-S249 PolarHBondContact O-OG 3.31Å; I245-F255 HydrophobicContact CG2-CB 4.26Å; I245-F255 HydrophobicContact CG2-CD1 3.41Å; I245-F255 VanDerWaalsContact CG2-CD1 3.41Å; I245-F255 HydrophobicContact CG2-CE1 3.9Å; I245-F255 HydrophobicContact CG2-CG 3.87Å; I245-L289 HydrophobicContact CD1-CD1 3.91Å; I245-L289 HydrophobicContact CG1-CD1 3.72Å; I245-L292 HydrophobicContact CD1-CB 4.14Å; I245-L292 HydrophobicContact CD1-CD1 4.4Å; I245-I298 HydrophobicContact CD1-CB 4.29Å; I245-I298 HydrophobicContact CD1-CG2 3.85Å; I245-R299 HydrophobicContact CG2-CB 4.41Å |
| 246 | G | 94.5 | Very high | 90.9 | Very high | 10 Ų | 10 | 24 Ų | 24 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S242 E243 I244 L248 S249 A250 R299 | S242-G246 PolarHBondContact O-N 3.01Å; E243-G246 CarbonylContact O-C 3.32Å; E243-G246 VanDerWaalsContact O-CA 3.3Å; E243-G246 WeakPolarHBondContact O-CA 3.31Å; E243-G246 PolarHBondContact O-N 3.15Å; I244-G246 PolarHBondContact O-N 2.86Å; G246-L248 PolarHBondContact O-N 3.39Å; G246-S249 WeakPolarHBondContact O-CB 3.32Å; G246-S249 PolarHBondContact O-N 2.82Å; G246-S249 VanDerWaalsContact O-N 3.14Å; G246-A250 PolarHBondContact O-N 3.21Å; G246-R299 VanDerWaalsContact CA-NH2 3.25Å |
| 247 | F | 95 | Very high | 90.3 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 4% | 0.044 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 177.1 | -62.9 | -17.7 | 0 | 0 | 0 | 111.5 | I181 T184 K185 V188 E243 I244 S249 A250 I251 | I181-F247 HydrophobicContact CD1-CE2 3.85Å; I181-F247 HydrophobicContact CD1-CZ 4.34Å; I181-F247 HydrophobicContact CG2-CZ 4.03Å; T184-F247 HydrophobicContact CG2-CD2 4.2Å; T184-F247 HydrophobicContact CG2-CE2 3.87Å; K185-F247 HydrophobicContact CB-CE1 4.35Å; K185-F247 HydrophobicContact CB-CZ 4.11Å; V188-F247 HydrophobicContact CB-CD1 4.16Å; V188-F247 HydrophobicContact CB-CE1 4.42Å; V188-F247 HydrophobicContact CG1-CB 4.46Å; V188-F247 HydrophobicContact CG1-CD1 3.89Å; V188-F247 HydrophobicContact CG1-CG 4.39Å; V188-F247 HydrophobicContact CG2-CB 4.19Å; V188-F247 HydrophobicContact CG2-CD1 3.83Å; V188-F247 HydrophobicContact CG2-CD2 4.15Å; V188-F247 HydrophobicContact CG2-CE1 4.18Å; V188-F247 HydrophobicContact CG2-CE2 4.48Å; V188-F247 HydrophobicContact CG2-CG 3.81Å; V188-F247 HydrophobicContact CG2-CZ 4.48Å; E243-F247 WeakPolarHBondContact O-CD1 3.24Å; E243-F247 WeakPolarHBondContact O-CG 3.48Å; E243-F247 PolarHBondContact O-N 2.86Å; I244-F247 HydrophobicContact CD1-CD2 4.18Å; I244-F247 PolarHBondContact O-N 3.25Å; F247-S249 VanDerWaalsContact C-N 3.25Å; F247-S249 PolarHBondContact O-N 3.36Å; F247-A250 WeakPolarHBondContact O-CB 3.49Å; F247-A250 PolarHBondContact O-N 3.16Å; F247-A250 VanDerWaalsContact O-N 3.1Å; F247-I251 HydrophobicContact CB-CD1 4.29Å; F247-I251 WeakPolarHBondContact O-CB 3.37Å; F247-I251 VanDerWaalsContact O-CD1 3.28Å; F247-I251 WeakPolarHBondContact O-CD1 3.46Å; F247-I251 WeakPolarHBondContact O-CG1 3.36Å; F247-I251 PolarHBondContact O-N 3.07Å |
| 248 | L | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.1 | -43.8 | 173.9 | -71 | 176.4 | 0 | 0 | 0 | 112.4 | L209 C212 L216 I244 G246 H253 M258 | L209-L248 HydrophobicContact CD1-CD2 3.47Å; L209-L248 VanDerWaalsContact CD1-CD2 3.47Å; C212-L248 HydrophobicContact CB-CD2 3.55Å; C212-L248 HydrophobicContact CB-CG 3.99Å; L216-L248 HydrophobicContact CD1-CD1 3.99Å; I244-L248 PolarHBondContact O-N 3.43Å; I244-L248 VanDerWaalsContact O-N 3.07Å; G246-L248 PolarHBondContact O-N 3.39Å; L248-H253 CarbonylContact C-O 3.49Å; L248-H253 CarbonylContact O-C 3.51Å; L248-H253 WeakPolarHBondContact O-CA 3.23Å; L248-H253 PolarHBondContact O-N 3.17Å; L248-H253 VanDerWaalsContact O-O 3.07Å; L248-M258 HydrophobicContact CD1-CE 4.34Å; L248-M258 HydrophobicContact CD1-SD 3.99Å; L248-M258 HydrophobicContact CD2-CE 4.05Å; L248-M258 HydrophobicContact CD2-SD 4.16Å; L248-M258 HydrophobicContact CG-SD 4.47Å |
| 249 | S | 90.6 | Very high | 88.8 | Confident | 29 Ų | 29 | 25.1 Ų | 25.1 | 20% | 0.203 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.7 | -41.1 | 178.7 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | I245 G246 F247 G252 Q302 | I245-S249 PolarHBondContact O-N 2.96Å; I245-S249 PolarHBondContact O-OG 3.31Å; G246-S249 WeakPolarHBondContact O-CB 3.32Å; G246-S249 PolarHBondContact O-N 2.82Å; G246-S249 VanDerWaalsContact O-N 3.14Å; F247-S249 VanDerWaalsContact C-N 3.25Å; F247-S249 PolarHBondContact O-N 3.36Å; S249-G252 PolarHBondContact O-N 3.19Å; S249-Q302 PolarHBondContact OG-OE1 3.17Å |
| 250 | A | 90.8 | Very high | 87.9 | Confident | 37 Ų | 37 | 23.1 Ų | 23.1 | 31% | 0.306 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V188 I192 G246 F247 G252 | V188-A250 HydrophobicContact CG1-CB 3.65Å; I192-A250 HydrophobicContact CD1-CB 3.74Å; I192-A250 HydrophobicContact CG1-CB 3.99Å; G246-A250 PolarHBondContact O-N 3.21Å; F247-A250 WeakPolarHBondContact O-CB 3.49Å; F247-A250 PolarHBondContact O-N 3.16Å; F247-A250 VanDerWaalsContact O-N 3.1Å; A250-G252 PolarHBondContact O-N 3.5Å |
| 251 | I | 87.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -10.2 | -177.7 | -64 | 160.3 | 0 | 0 | 0 | 111.8 | V188 K205 L208 F247 | V188-I251 HydrophobicContact CG1-CG1 4.45Å; K205-I251 HydrophobicContact CB-CG2 3.66Å; K205-I251 HydrophobicContact CD-CG2 4.48Å; K205-I251 HydrophobicContact CG-CG2 3.82Å; L208-I251 HydrophobicContact CB-CD1 3.53Å; L208-I251 HydrophobicContact CB-CG1 4.39Å; L208-I251 HydrophobicContact CD1-CD1 4.34Å; L208-I251 HydrophobicContact CD1-CG1 4.45Å; F247-I251 HydrophobicContact CB-CD1 4.29Å; F247-I251 WeakPolarHBondContact O-CB 3.37Å; F247-I251 VanDerWaalsContact O-CD1 3.28Å; F247-I251 WeakPolarHBondContact O-CD1 3.46Å; F247-I251 WeakPolarHBondContact O-CG1 3.36Å; F247-I251 PolarHBondContact O-N 3.07Å |
| 252 | G | 82.1 | Confident | 85.3 | Confident | 48 Ų | 48 | 28 Ų | 28 | 50% | 0.495 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | 10.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S249 A250 P254 | S249-G252 PolarHBondContact O-N 3.19Å; A250-G252 PolarHBondContact O-N 3.5Å; G252-P254 WeakPolarHBondContact O-CD 3.16Å |
| 253 | H | 78.5 | Confident | 83.5 | Confident | 51 Ų | 51 | 30.2 Ų | 30.2 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | trans | -116.6 | 67.6 | 175.8 | -62.2 | -63.5 | 0 | 0 | 0 | 111.6 | L248 F255 M258 W269 | L248-H253 CarbonylContact C-O 3.49Å; L248-H253 CarbonylContact O-C 3.51Å; L248-H253 WeakPolarHBondContact O-CA 3.23Å; L248-H253 PolarHBondContact O-N 3.17Å; L248-H253 VanDerWaalsContact O-O 3.07Å; H253-F255 PolarHBondContact O-N 3.48Å; H253-M258 HydrophobicContact CB-SD 4.49Å; H253-W269 HydrophobicContact CB-CH2 3.92Å; H253-W269 HydrophobicContact CB-CZ3 3.79Å; H253-W269 AromaticContact CE1-CZ3 3.8Å; H253-W269 AromaticContact CG-CZ3 3.53Å; H253-W269 AromaticContact ND1-CE3 3.93Å; H253-W269 AromaticContact ND1-CH2 3.76Å; H253-W269 AromaticContact ND1-CZ3 3.1Å; H253-W269 WeakPolarHBondContact ND1-CZ3 3.29Å | ||
| 254 | P | 82.9 | Confident | 81.7 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | trans | -54.5 | 132.9 | 179.8 | -25.3 | 32.6 | 0 | 0 | 0 | 112.1 | G252 P256 K257 M258 | G252-P254 WeakPolarHBondContact O-CD 3.16Å; P254-P256 VanDerWaalsContact C-N 3.27Å; P254-P256 WeakPolarHBondContact O-CD 3.37Å; P254-P256 VanDerWaalsContact O-N 3.14Å; P254-K257 WeakPolarHBondContact O-CB 3.28Å; P254-K257 PolarHBondContact O-N 3.44Å; P254-M258 PolarHBondContact O-N 3.31Å | ||
| 255 | F | 80.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.6 | -29.2 | -178.9 | 76.4 | -89.7 | 0 | 0 | 0 | 114.8 | I245 H253 K257 M258 I259 L289 V293 R299 Q302 L303 | I245-F255 HydrophobicContact CG2-CB 4.26Å; I245-F255 HydrophobicContact CG2-CD1 3.41Å; I245-F255 VanDerWaalsContact CG2-CD1 3.41Å; I245-F255 HydrophobicContact CG2-CE1 3.9Å; I245-F255 HydrophobicContact CG2-CG 3.87Å; H253-F255 PolarHBondContact O-N 3.48Å; F255-K257 VanDerWaalsContact C-N 3.32Å; F255-K257 PolarHBondContact O-N 2.84Å; F255-M258 WeakPolarHBondContact O-CB 3.41Å; F255-M258 PolarHBondContact O-N 2.92Å; F255-M258 VanDerWaalsContact O-N 3.1Å; F255-I259 HydrophobicContact CD2-CD1 3.84Å; F255-I259 HydrophobicContact CE2-CD1 4.47Å; F255-I259 WeakPolarHBondContact O-CG1 3.32Å; F255-I259 PolarHBondContact O-N 3.32Å; F255-L289 HydrophobicContact CB-CD1 4.18Å; F255-L289 HydrophobicContact CB-CD2 4.07Å; F255-V293 HydrophobicContact CD2-CG1 4.49Å; F255-V293 HydrophobicContact CD2-CG2 3.65Å; F255-V293 HydrophobicContact CE2-CB 4.28Å; F255-V293 HydrophobicContact CE2-CG1 3.74Å; F255-V293 HydrophobicContact CE2-CG2 3.48Å; F255-V293 VanDerWaalsContact CE2-CG2 3.48Å; F255-V293 HydrophobicContact CZ-CG2 4.36Å; F255-R299 HydrophobicContact CE1-CB 4.05Å; F255-R299 HydrophobicContact CZ-CB 4.25Å; F255-R299 VanDerWaalsContact CZ-O 3.27Å; F255-R299 WeakPolarHBondContact CZ-O 3.36Å; F255-Q302 HydrophobicContact CE1-CB 3.81Å; F255-Q302 HydrophobicContact CE1-CG 4.23Å; F255-Q302 HydrophobicContact CZ-CB 3.91Å; F255-L303 HydrophobicContact CD2-CD1 4.11Å; F255-L303 HydrophobicContact CE2-CD1 3.1Å; F255-L303 HydrophobicContact CZ-CD1 3.51Å |
| 256 | P | 83.1 | Confident | 76.8 | Confident | 19 Ų | 19 | 54 Ų | 54 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 174.1 | -22.9 | 35.3 | 0 | 0 | 0 | 111.9 | P254 M258 F260 L303 | P254-P256 VanDerWaalsContact C-N 3.27Å; P254-P256 WeakPolarHBondContact O-CD 3.37Å; P254-P256 VanDerWaalsContact O-N 3.14Å; P256-M258 VanDerWaalsContact C-N 3.26Å; P256-M258 PolarHBondContact O-N 2.9Å; P256-F260 HydrophobicContact CB-CD2 4.41Å; P256-F260 HydrophobicContact CB-CE2 4.18Å; P256-F260 WeakPolarHBondContact O-CD2 3.27Å; P256-F260 WeakPolarHBondContact O-CG 3.38Å; P256-F260 PolarHBondContact O-N 2.63Å; P256-F260 VanDerWaalsContact O-N 3.09Å; P256-L303 HydrophobicContact CB-CD1 4.48Å; P256-L303 HydrophobicContact CG-CD1 4.07Å |
| 257 | K | 80.8 | Confident | 74.4 | Confident | 135 Ų | 135 | 59.4 Ų | 59.4 | 59% | 0.587 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.3 | -33.4 | 175.9 | -68.7 | -177 | -179.9 | 175.7 | 0 | 111.3 | P254 F255 N261 | P254-K257 WeakPolarHBondContact O-CB 3.28Å; P254-K257 PolarHBondContact O-N 3.44Å; F255-K257 VanDerWaalsContact C-N 3.32Å; F255-K257 PolarHBondContact O-N 2.84Å; K257-N261 WeakPolarHBondContact O-CB 3.28Å; K257-N261 VanDerWaalsContact O-CG 3.24Å; K257-N261 PolarHBondContact O-N 2.68Å; K257-N261 PolarHBondContact O-ND2 3.11Å |
| 258 | M | 77.9 | Confident | 71.8 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68 | -52.7 | 178.1 | -59.3 | 170.8 | 84.2 | 0 | 0 | 111.1 | L209 F213 L248 H253 P254 F255 P256 F260 N261 H262 W269 M286 | L209-M258 HydrophobicContact CD1-CE 4.26Å; F213-M258 HydrophobicContact CD1-CE 4.34Å; F213-M258 HydrophobicContact CE1-CE 3.17Å; F213-M258 HydrophobicContact CE2-CE 4.18Å; F213-M258 HydrophobicContact CZ-CE 3.07Å; L248-M258 HydrophobicContact CD1-CE 4.34Å; L248-M258 HydrophobicContact CD1-SD 3.99Å; L248-M258 HydrophobicContact CD2-CE 4.05Å; L248-M258 HydrophobicContact CD2-SD 4.16Å; L248-M258 HydrophobicContact CG-SD 4.47Å; H253-M258 HydrophobicContact CB-SD 4.49Å; P254-M258 PolarHBondContact O-N 3.31Å; F255-M258 WeakPolarHBondContact O-CB 3.41Å; F255-M258 PolarHBondContact O-N 2.92Å; F255-M258 VanDerWaalsContact O-N 3.1Å; P256-M258 VanDerWaalsContact C-N 3.26Å; P256-M258 PolarHBondContact O-N 2.9Å; M258-F260 PolarHBondContact O-N 3.38Å; M258-N261 PolarHBondContact O-N 3.09Å; M258-H262 WeakPolarHBondContact O-CB 3.47Å; M258-H262 PolarHBondContact O-N 2.9Å; M258-W269 HydrophobicContact CB-CH2 4.4Å; M258-W269 HydrophobicContact CB-CZ2 4.09Å; M258-W269 HydrophobicContact CE-CH2 4.38Å; M258-W269 HydrophobicContact CG-CH2 3.3Å; M258-W269 HydrophobicContact CG-CZ2 3.45Å; M258-W269 VanDerWaalsContact CG-CZ2 3.45Å; M258-W269 HydrophobicContact CG-CZ3 4.38Å; M258-W269 HydrophobicContact SD-CH2 4.28Å; M258-M286 HydrophobicContact CB-CE 3.74Å; M258-M286 HydrophobicContact CB-SD 4.27Å; M258-M286 HydrophobicContact CE-SD 4.36Å |
| 259 | I | 76.9 | Confident | 69.8 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | -178.9 | -67 | 174.5 | 0 | 0 | 0 | 110.8 | F255 N261 M286 L289 V293 F294 | F255-I259 HydrophobicContact CD2-CD1 3.84Å; F255-I259 HydrophobicContact CE2-CD1 4.47Å; F255-I259 WeakPolarHBondContact O-CG1 3.32Å; F255-I259 PolarHBondContact O-N 3.32Å; I259-N261 PolarHBondContact O-N 3.32Å; I259-M286 HydrophobicContact CG1-CE 4.18Å; I259-L289 HydrophobicContact CD1-CG 4.31Å; I259-L289 HydrophobicContact CG1-CD2 4.25Å; I259-L289 HydrophobicContact CG1-CG 4.41Å; I259-V293 HydrophobicContact CD1-CB 4.41Å; I259-V293 HydrophobicContact CD1-CG1 4.48Å; I259-V293 HydrophobicContact CD1-CG2 4.23Å; I259-F294 HydrophobicContact CD1-CE2 4.13Å; I259-F294 HydrophobicContact CG2-CE2 3.95Å; I259-F294 HydrophobicContact CG2-CZ 4.17Å |
| 260 | F | 74.9 | Confident | 67.4 | Low | 26 Ų | 26 | 71.9 Ų | 71.9 | 11% | 0.114 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -79.3 | -17.3 | -175.3 | -61.1 | -53.6 | 0 | 0 | 0 | 115.1 | P256 M258 R264 L303 L307 Y311 F315 | P256-F260 HydrophobicContact CB-CD2 4.41Å; P256-F260 HydrophobicContact CB-CE2 4.18Å; P256-F260 WeakPolarHBondContact O-CD2 3.27Å; P256-F260 WeakPolarHBondContact O-CG 3.38Å; P256-F260 PolarHBondContact O-N 2.63Å; P256-F260 VanDerWaalsContact O-N 3.09Å; M258-F260 PolarHBondContact O-N 3.38Å; F260-R264 PolarHBondContact O-NE 2.8Å; F260-R264 VanDerWaalsContact O-NE 3.11Å; F260-L303 HydrophobicContact CZ-CD2 4.23Å; F260-L307 HydrophobicContact CE1-CD1 4.15Å; F260-L307 HydrophobicContact CE2-CD1 4.31Å; F260-L307 HydrophobicContact CZ-CD1 3.48Å; F260-L307 VanDerWaalsContact CZ-CD1 3.48Å; F260-Y311 AromaticContact CD1-CE1 3.91Å; F260-Y311 HydrophobicContact CD1-CE1 3.91Å; F260-Y311 HydrophobicContact CE1-CD1 4.49Å; F260-Y311 AromaticContact CE1-CE1 3.85Å; F260-Y311 HydrophobicContact CE1-CE1 3.85Å; F260-F315 HydrophobicContact CB-CE1 4.49Å; F260-F315 HydrophobicContact CD1-CD1 4.24Å; F260-F315 HydrophobicContact CD1-CD2 4.19Å; F260-F315 HydrophobicContact CD1-CE1 4.29Å; F260-F315 HydrophobicContact CD1-CE2 4.35Å; F260-F315 HydrophobicContact CD1-CG 4.21Å; F260-F315 HydrophobicContact CD1-CZ 4.38Å; F260-F315 HydrophobicContact CE1-CD2 4.49Å; F260-F315 WeakPolarHBondContact O-CE1 3.46Å |
| 261 | N | 70.7 | Confident | 65 | Low | 40 Ų | 40 | 78.2 Ų | 78.2 | 21% | 0.214 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -100.2 | -13.8 | 178 | -67.3 | -36.6 | 0 | 0 | 0 | 113.6 | K257 M258 I259 G263 R264 | K257-N261 WeakPolarHBondContact O-CB 3.28Å; K257-N261 VanDerWaalsContact O-CG 3.24Å; K257-N261 PolarHBondContact O-N 2.68Å; K257-N261 PolarHBondContact O-ND2 3.11Å; M258-N261 PolarHBondContact O-N 3.09Å; I259-N261 PolarHBondContact O-N 3.32Å; N261-G263 PolarHBondContact O-N 3.3Å; N261-R264 PolarHBondContact O-N 3.21Å |
| 262 | H | 66.9 | Low | 63 | Low | 64 Ų | 64 | 79.1 Ų | 79.1 | 30% | 0.296 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 130.7 | 176.2 | -173.6 | -94.8 | 0 | 0 | 0 | 110.7 | M258 R264 M286 H319 | M258-H262 WeakPolarHBondContact O-CB 3.47Å; M258-H262 PolarHBondContact O-N 2.9Å; H262-R264 PolarHBondContact O-N 3.09Å; H262-M286 HydrophobicContact CB-CE 4.31Å; H262-H319 AromaticContact ND1-CE1 3.67Å |
| 263 | G | 58 | Low | 60.8 | Low | 80 Ų | 80 | 86.6 Ų | 86.6 | 83% | 0.825 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 0.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | N261 | N261-G263 PolarHBondContact O-N 3.3Š|
| 264 | R | 59.8 | Low | 59.2 | Low | 125 Ų | 125 | 86.2 Ų | 86.2 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | trans | -82.3 | 140.5 | 172.1 | -65.1 | -172.2 | -178.1 | -166.3 | 0.3 | 111.4 | F260 N261 H262 K266 | F260-R264 PolarHBondContact O-NE 2.8Å; F260-R264 VanDerWaalsContact O-NE 3.11Å; N261-R264 PolarHBondContact O-N 3.21Å; H262-R264 PolarHBondContact O-N 3.09Å; R264-K266 CarbonylContact O-C 3.51Å; R264-K266 PolarHBondContact O-N 3.21Å | ||
| 265 | K | 46.4 | Very low | 57.3 | Low | 225 Ų | 225 | 91.5 Ų | 91.5 | 98% | 0.978 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -56.7 | -22.2 | -179.1 | -69.3 | -174.5 | 178.5 | -178.4 | 0 | 114.9 | ||
| 266 | K | 41.7 | Very low | 55.6 | Low | 187 Ų | 187 | 100 Ų | 100 | 81% | 0.813 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -103.2 | 95.3 | 168.2 | -98.8 | -178.7 | 173 | 179 | 0 | 108.1 | R264 T268 | R264-K266 CarbonylContact O-C 3.51Å; R264-K266 PolarHBondContact O-N 3.21Å; K266-T268 PolarHBondContact O-N 3.26Å; K266-T268 VanDerWaalsContact O-N 3.16Å |
| 267 | R | 45.4 | Very low | 53.8 | Low | 124 Ų | 124 | 106.1 Ų | 106.1 | 47% | 0.468 | 50% | 0.502 | S | S | . | . | trans | -64.6 | 111.6 | 163.7 | -66.2 | -178.3 | -176.3 | -173.3 | 0.6 | 106.3 | W269 D279 | R267-W269 PolarHBondContact O-N 2.97Å; R267-D279 IonicContact CZ-OD1 2.69Å; R267-D279 VanDerWaalsContact CZ-OD1 3.28Å; R267-D279 IonicContact CZ-OD2 2.67Å; R267-D279 IonicContact NH1-OD1 3.06Å; R267-D279 PolarHBondContact NH1-OD1 2.89Å; R267-D279 IonicContact NH1-OD2 3.99Å; R267-D279 IonicContact NH2-OD1 2.77Å; R267-D279 PolarHBondContact NH2-OD1 2.73Å; R267-D279 IonicContact NH2-OD2 2.65Å; R267-D279 PolarHBondContact NH2-OD2 3.21Å | ||
| 268 | T | 39.5 | Very low | 52.4 | Low | 101 Ų | 101 | 103.2 Ų | 103.2 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -72.1 | 3 | 167.5 | 19.4 | 0 | 0 | 0 | 0 | 112.5 | K266 N270 | K266-T268 PolarHBondContact O-N 3.26Å; K266-T268 VanDerWaalsContact O-N 3.16Å; T268-N270 PolarHBondContact O-N 2.95Å |
| 269 | W | 49.2 | Very low | 51.6 | Low | 58 Ų | 58 | 105.6 Ų | 105.6 | 22% | 0.22 | 50% | 0.503 | C | S | . | . | trans | -87.2 | 75.6 | 173.8 | -50.9 | 99.5 | 0 | 0 | 0 | 108.4 | H253 M258 R267 Y271 | H253-W269 HydrophobicContact CB-CH2 3.92Å; H253-W269 HydrophobicContact CB-CZ3 3.79Å; H253-W269 AromaticContact CE1-CZ3 3.8Å; H253-W269 AromaticContact CG-CZ3 3.53Å; H253-W269 AromaticContact ND1-CE3 3.93Å; H253-W269 AromaticContact ND1-CH2 3.76Å; H253-W269 AromaticContact ND1-CZ3 3.1Å; H253-W269 WeakPolarHBondContact ND1-CZ3 3.29Å; M258-W269 HydrophobicContact CB-CH2 4.4Å; M258-W269 HydrophobicContact CB-CZ2 4.09Å; M258-W269 HydrophobicContact CE-CH2 4.38Å; M258-W269 HydrophobicContact CG-CH2 3.3Å; M258-W269 HydrophobicContact CG-CZ2 3.45Å; M258-W269 VanDerWaalsContact CG-CZ2 3.45Å; M258-W269 HydrophobicContact CG-CZ3 4.38Å; M258-W269 HydrophobicContact SD-CH2 4.28Å; R267-W269 PolarHBondContact O-N 2.97Å; W269-Y271 PolarHBondContact O-N 3.34Å | ||
| 270 | N | 40.7 | Very low | 50.9 | Low | 142 Ų | 142 | 112.9 Ų | 112.9 | 76% | 0.759 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 6.6 | 178.5 | -79.3 | -6.8 | 0 | 0 | 0 | 114 | T268 | T268-N270 PolarHBondContact O-N 2.95Š|
| 271 | Y | 41.4 | Very low | 50.6 | Low | 171 Ų | 171 | 115.4 Ų | 115.4 | 67% | 0.671 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -5.6 | -163.1 | -74.5 | -80.8 | 0 | 0 | 0 | 115.5 | W269 | W269-Y271 PolarHBondContact O-N 3.34Š|
| 272 | L | 44.8 | Very low | 51.1 | Low | 23 Ų | 23 | 114.9 Ų | 114.9 | 12% | 0.12 | 54% | 0.544 | C | S | . | . | trans | -134 | 83.8 | -178.1 | -69.9 | 154.6 | 0 | 0 | 0 | 108.8 | D206 L209 F274 | D206-L272 WeakPolarHBondContact OD1-CD2 3.23Å; L209-L272 HydrophobicContact CD2-CD1 3.93Å; L272-F274 HydrophobicContact CB-CD1 4.25Å; L272-F274 HydrophobicContact CB-CD2 3.59Å; L272-F274 HydrophobicContact CB-CE1 4.07Å; L272-F274 HydrophobicContact CB-CE2 3.35Å; L272-F274 HydrophobicContact CB-CG 4.06Å; L272-F274 HydrophobicContact CB-CZ 3.63Å; L272-F274 HydrophobicContact CD1-CE2 3.59Å; L272-F274 HydrophobicContact CD1-CZ 3.55Å; L272-F274 HydrophobicContact CD2-CD1 4.25Å; L272-F274 HydrophobicContact CD2-CE1 3.44Å; L272-F274 VanDerWaalsContact CD2-CE1 3.44Å; L272-F274 HydrophobicContact CD2-CE2 3.97Å; L272-F274 HydrophobicContact CD2-CZ 3.27Å; L272-F274 HydrophobicContact CG-CD2 4.48Å; L272-F274 HydrophobicContact CG-CE1 4.17Å; L272-F274 HydrophobicContact CG-CE2 3.78Å; L272-F274 HydrophobicContact CG-CZ 3.61Å; L272-F274 PolarHBondContact O-N 3.4Å | ||
| 273 | E | 37.5 | Very low | 52.2 | Low | 205 Ų | 205 | 112.8 Ų | 112.8 | 96% | 0.958 | 54% | 0.538 | S | S | * | . | trans | -68.5 | 83.3 | 158.3 | -79.2 | -175.9 | 166.1 | 0 | 0 | 107 | ||||
| 274 | F | 44.3 | Very low | 53.8 | Low | 43 Ų | 43 | 109.2 Ų | 109.2 | 19% | 0.189 | 50% | 0.5 | C | S | . | . | trans | -80.2 | 135.9 | 174.9 | -77.7 | -44.6 | 0 | 0 | 0 | 109.5 | L272 E278 L282 | L272-F274 HydrophobicContact CB-CD1 4.25Å; L272-F274 HydrophobicContact CB-CD2 3.59Å; L272-F274 HydrophobicContact CB-CE1 4.07Å; L272-F274 HydrophobicContact CB-CE2 3.35Å; L272-F274 HydrophobicContact CB-CG 4.06Å; L272-F274 HydrophobicContact CB-CZ 3.63Å; L272-F274 HydrophobicContact CD1-CE2 3.59Å; L272-F274 HydrophobicContact CD1-CZ 3.55Å; L272-F274 HydrophobicContact CD2-CD1 4.25Å; L272-F274 HydrophobicContact CD2-CE1 3.44Å; L272-F274 VanDerWaalsContact CD2-CE1 3.44Å; L272-F274 HydrophobicContact CD2-CE2 3.97Å; L272-F274 HydrophobicContact CD2-CZ 3.27Å; L272-F274 HydrophobicContact CG-CD2 4.48Å; L272-F274 HydrophobicContact CG-CE1 4.17Å; L272-F274 HydrophobicContact CG-CE2 3.78Å; L272-F274 HydrophobicContact CG-CZ 3.61Å; L272-F274 PolarHBondContact O-N 3.4Å; F274-E278 WeakPolarHBondContact CA-OE2 3.37Å; F274-E278 HydrophobicContact CB-CB 3.55Å; F274-E278 HydrophobicContact CD1-CB 3.7Å; F274-E278 VanDerWaalsContact CD1-CD 3.44Å; F274-E278 HydrophobicContact CD1-CG 4.08Å; F274-E278 VanDerWaalsContact CD1-OE2 3.24Å; F274-E278 WeakPolarHBondContact CD1-OE2 3.45Å; F274-E278 HydrophobicContact CG-CB 3.76Å; F274-L282 HydrophobicContact CE2-CD2 4.5Å | ||
| 275 | E | 42.7 | Very low | 55.4 | Low | 150 Ų | 150 | 103.4 Ų | 103.4 | 70% | 0.701 | 48% | 0.479 | S | S | * | . | trans | -63.8 | 160.4 | 169 | -65.7 | -170.3 | 171.3 | 0 | 0 | 109.9 | E277 E278 D279 | E275-E277 PolarHBondContact O-N 2.82Å; E275-E278 PolarHBondContact N-OE2 3.43Å; E275-E278 WeakPolarHBondContact O-CB 3.48Å; E275-E278 PolarHBondContact O-N 2.92Å; E275-D279 PolarHBondContact O-N 3.02Å | ||
| 276 | E | 45 | Very low | 57.5 | Low | 177 Ų | 177 | 92.9 Ų | 92.9 | 83% | 0.827 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -54.1 | -26.4 | -174.9 | -70.7 | -173.6 | 163.3 | 0 | 0 | 114.1 | ||
| 277 | E | 44.6 | Very low | 60.1 | Low | 148 Ų | 148 | 84 Ų | 84 | 69% | 0.692 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -74.6 | -31.2 | 178.2 | -147.1 | 164.7 | -152.9 | 0 | 0 | 112.5 | E275 Q281 | E275-E277 PolarHBondContact O-N 2.82Å; E277-Q281 WeakPolarHBondContact O-CG 3.26Å |
| 278 | E | 52.6 | Low | 62.5 | Low | 75 Ų | 75 | 78.1 Ų | 78.1 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -77.7 | -27.6 | 176.8 | -72.5 | 174.6 | 135.3 | 0 | 0 | 112.2 | F274 E275 K280 Q281 L282 | F274-E278 WeakPolarHBondContact CA-OE2 3.37Å; F274-E278 HydrophobicContact CB-CB 3.55Å; F274-E278 HydrophobicContact CD1-CB 3.7Å; F274-E278 VanDerWaalsContact CD1-CD 3.44Å; F274-E278 HydrophobicContact CD1-CG 4.08Å; F274-E278 VanDerWaalsContact CD1-OE2 3.24Å; F274-E278 WeakPolarHBondContact CD1-OE2 3.45Å; F274-E278 HydrophobicContact CG-CB 3.76Å; E275-E278 PolarHBondContact N-OE2 3.43Å; E275-E278 WeakPolarHBondContact O-CB 3.48Å; E275-E278 PolarHBondContact O-N 2.92Å; E278-K280 VanDerWaalsContact C-N 3.3Å; E278-K280 PolarHBondContact O-N 3.49Å; E278-Q281 WeakPolarHBondContact O-CB 3.37Å; E278-Q281 PolarHBondContact O-N 3.06Å; E278-Q281 VanDerWaalsContact O-N 3.09Å; E278-L282 PolarHBondContact O-N 3.01Å |
| 279 | D | 60.9 | Low | 65.2 | Low | 52 Ų | 52 | 73.3 Ų | 73.3 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 171.9 | -92.8 | -6 | 0 | 0 | 0 | 112.3 | R267 E275 L282 A283 | R267-D279 IonicContact CZ-OD1 2.69Å; R267-D279 VanDerWaalsContact CZ-OD1 3.28Å; R267-D279 IonicContact CZ-OD2 2.67Å; R267-D279 IonicContact NH1-OD1 3.06Å; R267-D279 PolarHBondContact NH1-OD1 2.89Å; R267-D279 IonicContact NH1-OD2 3.99Å; R267-D279 IonicContact NH2-OD1 2.77Å; R267-D279 PolarHBondContact NH2-OD1 2.73Å; R267-D279 IonicContact NH2-OD2 2.65Å; R267-D279 PolarHBondContact NH2-OD2 3.21Å; E275-D279 PolarHBondContact O-N 3.02Å; D279-L282 PolarHBondContact O-N 3.22Å; D279-A283 PolarHBondContact O-N 2.68Å |
| 280 | K | 62 | Low | 67.3 | Low | 155 Ų | 155 | 70.5 Ų | 70.5 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.3 | -38.1 | 172.8 | -72.4 | -179.5 | -178.2 | 170.2 | 0 | 111.8 | E278 L282 A283 D284 | E278-K280 VanDerWaalsContact C-N 3.3Å; E278-K280 PolarHBondContact O-N 3.49Å; K280-L282 VanDerWaalsContact C-N 3.32Å; K280-A283 WeakPolarHBondContact O-CB 3.3Å; K280-A283 PolarHBondContact O-N 3.36Å; K280-D284 PolarHBondContact O-N 3.35Å |
| 281 | Q | 67.7 | Low | 70 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 178 | -55.4 | -172.6 | 14.5 | 0 | 0 | 111.8 | K217 E277 E278 S285 | K217-Q281 HydrophobicContact CD-CB 4.4Å; E277-Q281 WeakPolarHBondContact O-CG 3.26Å; E278-Q281 WeakPolarHBondContact O-CB 3.37Å; E278-Q281 PolarHBondContact O-N 3.06Å; E278-Q281 VanDerWaalsContact O-N 3.09Å; Q281-S285 PolarHBondContact O-N 3.43Å; Q281-S285 PolarHBondContact O-OG 3.24Å |
| 282 | L | 83.2 | Confident | 72.6 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | 173.4 | -172.7 | 64.4 | 0 | 0 | 0 | 110.9 | F213 F274 E278 D279 K280 D284 S285 M286 | F213-L282 HydrophobicContact CD1-CD1 3.72Å; F213-L282 HydrophobicContact CD2-CD1 4.16Å; F213-L282 HydrophobicContact CE1-CD1 3.41Å; F213-L282 VanDerWaalsContact CE1-CD1 3.41Å; F213-L282 HydrophobicContact CE2-CD1 3.87Å; F213-L282 HydrophobicContact CG-CD1 4.07Å; F213-L282 HydrophobicContact CZ-CD1 3.47Å; F213-L282 VanDerWaalsContact CZ-CD1 3.47Å; F274-L282 HydrophobicContact CE2-CD2 4.5Å; E278-L282 PolarHBondContact O-N 3.01Å; D279-L282 PolarHBondContact O-N 3.22Å; K280-L282 VanDerWaalsContact C-N 3.32Å; L282-D284 VanDerWaalsContact C-N 3.33Å; L282-D284 PolarHBondContact O-N 2.85Å; L282-S285 WeakPolarHBondContact O-CB 3.18Å; L282-S285 PolarHBondContact O-N 3.31Å; L282-M286 HydrophobicContact CD1-CG 4.25Å; L282-M286 HydrophobicContact CG-CG 4.2Å; L282-M286 WeakPolarHBondContact O-CB 3.42Å; L282-M286 WeakPolarHBondContact O-CG 3.33Å; L282-M286 PolarHBondContact O-N 3.34Å |
| 283 | A | 87.9 | Confident | 74.9 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D279 K280 M286 A287 V322 | D279-A283 PolarHBondContact O-N 2.68Å; K280-A283 WeakPolarHBondContact O-CB 3.3Å; K280-A283 PolarHBondContact O-N 3.36Å; A283-M286 PolarHBondContact O-N 2.93Å; A283-A287 WeakPolarHBondContact O-CB 3.49Å; A283-A287 PolarHBondContact O-N 3.1Å; A283-V322 HydrophobicContact CB-CG2 4.1Å |
| 284 | D | 92.4 | Very high | 77.5 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 174.2 | -71 | -23.3 | 0 | 0 | 0 | 112.1 | K217 L221 K280 L282 M286 A287 S288 V322 R326 | K217-D284 HydrophobicContact CD-CB 4.37Å; K217-D284 WeakPolarHBondContact CE-OD2 3.38Å; K217-D284 HydrophobicContact CG-CB 3.99Å; L221-D284 HydrophobicContact CD2-CB 4.2Å; K280-D284 PolarHBondContact O-N 3.35Å; L282-D284 VanDerWaalsContact C-N 3.33Å; L282-D284 PolarHBondContact O-N 2.85Å; D284-M286 VanDerWaalsContact C-N 3.29Å; D284-M286 PolarHBondContact O-N 3.48Å; D284-A287 PolarHBondContact O-N 3.02Å; D284-S288 WeakPolarHBondContact O-CB 3.06Å; D284-S288 PolarHBondContact O-N 3.1Å; D284-V322 WeakPolarHBondContact OD1-CG1 3.47Å; D284-R326 IonicContact OD1-CZ 3.97Å; D284-R326 IonicContact OD1-NE 3.66Å; D284-R326 PolarHBondContact OD1-NE 2.84Å; D284-R326 IonicContact OD1-NH2 2.7Å; D284-R326 PolarHBondContact OD1-NH2 2.98Å; D284-R326 IonicContact OD2-CZ 2.8Å; D284-R326 IonicContact OD2-NH2 3.93Å; D284-R326 PolarHBondContact OD2-NH2 2.83Å |
| 285 | S | 93.1 | Very high | 79.9 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 179.8 | -52.6 | 0 | 0 | 0 | 0 | 111 | F213 Q281 L282 S288 L289 | F213-S285 PolarHBondContact O-OG 2.92Å; Q281-S285 PolarHBondContact O-N 3.43Å; Q281-S285 PolarHBondContact O-OG 3.24Å; L282-S285 WeakPolarHBondContact O-CB 3.18Å; L282-S285 PolarHBondContact O-N 3.31Å; S285-S288 PolarHBondContact O-N 3.15Å; S285-L289 WeakPolarHBondContact O-CB 3.49Å; S285-L289 PolarHBondContact O-N 3.29Å |
| 286 | M | 92.1 | Very high | 82.3 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72 | -36.4 | 179 | -68.2 | -56.4 | -54 | 0 | 0 | 112.5 | F213 M258 I259 H262 L282 A283 D284 L289 A290 | F213-M286 HydrophobicContact CE1-SD 3.92Å; M258-M286 HydrophobicContact CB-CE 3.74Å; M258-M286 HydrophobicContact CB-SD 4.27Å; M258-M286 HydrophobicContact CE-SD 4.36Å; I259-M286 HydrophobicContact CG1-CE 4.18Å; H262-M286 HydrophobicContact CB-CE 4.31Å; L282-M286 HydrophobicContact CD1-CG 4.25Å; L282-M286 HydrophobicContact CG-CG 4.2Å; L282-M286 WeakPolarHBondContact O-CB 3.42Å; L282-M286 WeakPolarHBondContact O-CG 3.33Å; L282-M286 PolarHBondContact O-N 3.34Å; A283-M286 PolarHBondContact O-N 2.93Å; D284-M286 VanDerWaalsContact C-N 3.29Å; D284-M286 PolarHBondContact O-N 3.48Å; M286-L289 HydrophobicContact CE-CD2 3.91Å; M286-L289 PolarHBondContact O-N 3.39Å; M286-L289 HydrophobicContact SD-CD2 4.06Å; M286-A290 WeakPolarHBondContact O-CB 2.93Å; M286-A290 PolarHBondContact O-N 2.81Å |
| 287 | A | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A283 D284 L289 A290 Y291 H319 V322 F323 | A283-A287 WeakPolarHBondContact O-CB 3.49Å; A283-A287 PolarHBondContact O-N 3.1Å; D284-A287 PolarHBondContact O-N 3.02Å; A287-L289 PolarHBondContact O-N 2.92Å; A287-A290 PolarHBondContact O-N 3.16Å; A287-Y291 PolarHBondContact O-N 3.29Å; A287-H319 HydrophobicContact CB-CB 4.02Å; A287-V322 HydrophobicContact CB-CB 4.09Å; A287-V322 HydrophobicContact CB-CG1 3.98Å; A287-F323 VanDerWaalsContact C-CZ 3.49Å; A287-F323 HydrophobicContact CB-CD2 4.16Å; A287-F323 HydrophobicContact CB-CE2 3.75Å; A287-F323 HydrophobicContact CB-CZ 4Å; A287-F323 VanDerWaalsContact O-CE2 3.25Å; A287-F323 WeakPolarHBondContact O-CE2 3.24Å; A287-F323 VanDerWaalsContact O-CZ 3.24Å; A287-F323 WeakPolarHBondContact O-CZ 3.25Å |
| 288 | S | 96.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.3 | -48.8 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | L216 D284 S285 A290 Y291 L292 | L216-S288 WeakPolarHBondContact O-CB 3.4Å; L216-S288 PolarHBondContact O-OG 3.43Å; D284-S288 WeakPolarHBondContact O-CB 3.06Å; D284-S288 PolarHBondContact O-N 3.1Å; S285-S288 PolarHBondContact O-N 3.15Å; S288-A290 PolarHBondContact O-N 3.29Å; S288-Y291 WeakPolarHBondContact O-CB 3.31Å; S288-Y291 PolarHBondContact O-N 2.91Å; S288-L292 VanDerWaalsContact O-CG 3.24Å; S288-L292 WeakPolarHBondContact O-CG 3.21Å; S288-L292 PolarHBondContact O-N 2.85Å |
| 289 | L | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | 176.2 | -178.9 | 60.8 | 0 | 0 | 0 | 112.6 | L216 I245 F255 I259 S285 M286 A287 Y291 L292 V293 | L216-L289 HydrophobicContact CD1-CB 4.13Å; L216-L289 HydrophobicContact CD1-CD1 4.36Å; L216-L289 HydrophobicContact CD1-CD2 4.36Å; L216-L289 HydrophobicContact CD2-CB 4.22Å; L216-L289 HydrophobicContact CD2-CD1 4.18Å; I245-L289 HydrophobicContact CD1-CD1 3.91Å; I245-L289 HydrophobicContact CG1-CD1 3.72Å; F255-L289 HydrophobicContact CB-CD1 4.18Å; F255-L289 HydrophobicContact CB-CD2 4.07Å; I259-L289 HydrophobicContact CD1-CG 4.31Å; I259-L289 HydrophobicContact CG1-CD2 4.25Å; I259-L289 HydrophobicContact CG1-CG 4.41Å; S285-L289 WeakPolarHBondContact O-CB 3.49Å; S285-L289 PolarHBondContact O-N 3.29Å; M286-L289 HydrophobicContact CE-CD2 3.91Å; M286-L289 PolarHBondContact O-N 3.39Å; M286-L289 HydrophobicContact SD-CD2 4.06Å; A287-L289 PolarHBondContact O-N 2.92Å; L289-Y291 VanDerWaalsContact C-N 3.34Å; L289-Y291 PolarHBondContact O-N 2.98Å; L289-L292 PolarHBondContact O-N 3.22Å; L289-V293 HydrophobicContact CD1-CG2 4.17Å; L289-V293 VanDerWaalsContact O-CG2 3.32Å; L289-V293 WeakPolarHBondContact O-CG2 3.49Å; L289-V293 PolarHBondContact O-N 2.98Å |
| 290 | A | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M286 A287 S288 V293 F294 H319 L338 | M286-A290 WeakPolarHBondContact O-CB 2.93Å; M286-A290 PolarHBondContact O-N 2.81Å; A287-A290 PolarHBondContact O-N 3.16Å; S288-A290 PolarHBondContact O-N 3.29Å; A290-V293 PolarHBondContact O-N 3.5Å; A290-F294 HydrophobicContact CB-CD2 4.21Å; A290-F294 HydrophobicContact CB-CE2 4.47Å; A290-F294 WeakPolarHBondContact O-CB 3.26Å; A290-F294 WeakPolarHBondContact O-CD2 3.28Å; A290-F294 PolarHBondContact O-N 2.9Å; A290-H319 HydrophobicContact CB-CB 4.13Å; A290-L338 HydrophobicContact CB-CD2 4.5Å |
| 291 | Y | 96.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.5 | -49.2 | 174.8 | 176.9 | -87.7 | 0 | 0 | 0 | 112.2 | F225 A287 S288 L289 V293 V295 Q296 F323 K334 E337 L338 | F225-Y291 AromaticContact CD2-CE1 3.86Å; F225-Y291 HydrophobicContact CD2-CE1 3.86Å; F225-Y291 HydrophobicContact CE2-CD1 4.46Å; F225-Y291 AromaticContact CE2-CE1 3.91Å; F225-Y291 HydrophobicContact CE2-CE1 3.91Å; A287-Y291 PolarHBondContact O-N 3.29Å; S288-Y291 WeakPolarHBondContact O-CB 3.31Å; S288-Y291 PolarHBondContact O-N 2.91Å; L289-Y291 VanDerWaalsContact C-N 3.34Å; L289-Y291 PolarHBondContact O-N 2.98Å; Y291-V293 VanDerWaalsContact C-N 3.25Å; Y291-V293 PolarHBondContact O-N 3.17Å; Y291-V295 HydrophobicContact CD2-CB 3.92Å; Y291-V295 HydrophobicContact CD2-CG1 4.27Å; Y291-V295 HydrophobicContact CD2-CG2 3.69Å; Y291-V295 HydrophobicContact CE2-CB 3.79Å; Y291-V295 HydrophobicContact CE2-CG1 3.63Å; Y291-V295 HydrophobicContact CE2-CG2 3.86Å; Y291-V295 HydrophobicContact CG-CB 4.35Å; Y291-V295 HydrophobicContact CG-CG2 4.39Å; Y291-V295 WeakPolarHBondContact O-CA 3.43Å; Y291-V295 VanDerWaalsContact O-CB 3.26Å; Y291-V295 WeakPolarHBondContact O-CB 3.31Å; Y291-V295 PolarHBondContact O-N 3.3Å; Y291-Q296 HydrophobicContact CD1-CG 4.15Å; Y291-Q296 HydrophobicContact CE1-CG 3.57Å; Y291-Q296 PolarHBondContact O-N 3.41Å; Y291-Q296 PolarHBondContact OH-NE2 2.86Å; Y291-F323 HydrophobicContact CG-CZ 4.5Å; Y291-K334 HydrophobicContact CD1-CD 4.44Å; Y291-K334 HydrophobicContact CD1-CG 4.5Å; Y291-K334 HydrophobicContact CD2-CB 3.65Å; Y291-K334 HydrophobicContact CD2-CG 4.09Å; Y291-K334 WeakPolarHBondContact CD2-O 3.31Å; Y291-K334 HydrophobicContact CE1-CD 4.22Å; Y291-K334 HydrophobicContact CE1-CG 4.09Å; Y291-K334 HydrophobicContact CE2-CB 3.57Å; Y291-K334 HydrophobicContact CE2-CG 3.64Å; Y291-K334 HydrophobicContact CG-CB 4.25Å; Y291-K334 HydrophobicContact CG-CG 4.5Å; Y291-E337 HydrophobicContact CE2-CB 4.34Å; Y291-E337 VanDerWaalsContact CE2-OE2 3.27Å; Y291-E337 WeakPolarHBondContact CE2-OE2 3.31Å; Y291-E337 PolarHBondContact OH-OE2 3.31Å; Y291-L338 HydrophobicContact CD2-CB 4.43Å |
| 292 | L | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -36.2 | -179 | -67.3 | 168 | 0 | 0 | 0 | 112.6 | L216 L220 F225 A241 I245 S288 L289 Q296 G297 I298 | L216-L292 HydrophobicContact CD2-CD1 3.68Å; L220-L292 HydrophobicContact CB-CD1 4.33Å; L220-L292 HydrophobicContact CD1-CD1 4Å; F225-L292 HydrophobicContact CE1-CD2 3.93Å; F225-L292 HydrophobicContact CE2-CD2 3.74Å; F225-L292 HydrophobicContact CZ-CD2 3.23Å; A241-L292 HydrophobicContact CB-CD1 3.95Å; A241-L292 HydrophobicContact CB-CD2 3.85Å; A241-L292 HydrophobicContact CB-CG 4.45Å; I245-L292 HydrophobicContact CD1-CB 4.14Å; I245-L292 HydrophobicContact CD1-CD1 4.4Å; S288-L292 VanDerWaalsContact O-CG 3.24Å; S288-L292 WeakPolarHBondContact O-CG 3.21Å; S288-L292 PolarHBondContact O-N 2.85Å; L289-L292 PolarHBondContact O-N 3.22Å; L292-Q296 CarbonylContact O-C 3.38Å; L292-Q296 VanDerWaalsContact O-CB 3.32Å; L292-Q296 WeakPolarHBondContact O-CB 3.34Å; L292-G297 PolarHBondContact O-N 3.18Å; L292-I298 HydrophobicContact CB-CD1 4.34Å; L292-I298 HydrophobicContact CD2-CD1 4.04Å; L292-I298 WeakPolarHBondContact O-CB 3.36Å; L292-I298 PolarHBondContact O-N 2.82Å |
| 293 | V | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -79.3 | -54.9 | 179.5 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | F255 I259 L289 A290 Y291 G297 L303 | F255-V293 HydrophobicContact CD2-CG1 4.49Å; F255-V293 HydrophobicContact CD2-CG2 3.65Å; F255-V293 HydrophobicContact CE2-CB 4.28Å; F255-V293 HydrophobicContact CE2-CG1 3.74Å; F255-V293 HydrophobicContact CE2-CG2 3.48Å; F255-V293 VanDerWaalsContact CE2-CG2 3.48Å; F255-V293 HydrophobicContact CZ-CG2 4.36Å; I259-V293 HydrophobicContact CD1-CB 4.41Å; I259-V293 HydrophobicContact CD1-CG1 4.48Å; I259-V293 HydrophobicContact CD1-CG2 4.23Å; L289-V293 HydrophobicContact CD1-CG2 4.17Å; L289-V293 VanDerWaalsContact O-CG2 3.32Å; L289-V293 WeakPolarHBondContact O-CG2 3.49Å; L289-V293 PolarHBondContact O-N 2.98Å; A290-V293 PolarHBondContact O-N 3.5Å; Y291-V293 VanDerWaalsContact C-N 3.25Å; Y291-V293 PolarHBondContact O-N 3.17Å; V293-G297 VanDerWaalsContact O-CA 3.25Å; V293-G297 WeakPolarHBondContact O-CA 3.48Å; V293-G297 PolarHBondContact O-N 3.17Å; V293-L303 HydrophobicContact CG1-CD1 3.9Å; V293-L303 HydrophobicContact CG1-CD2 4.33Å |
| 294 | F | 92.6 | Very high | 91.6 | Very high | 36 Ų | 36 | 27.5 Ų | 27.5 | 16% | 0.158 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -85.3 | -24.5 | -167.9 | -65.6 | -64.9 | 0 | 0 | 0 | 114.3 | I259 A290 L303 L312 N316 L338 | I259-F294 HydrophobicContact CD1-CE2 4.13Å; I259-F294 HydrophobicContact CG2-CE2 3.95Å; I259-F294 HydrophobicContact CG2-CZ 4.17Å; A290-F294 HydrophobicContact CB-CD2 4.21Å; A290-F294 HydrophobicContact CB-CE2 4.47Å; A290-F294 WeakPolarHBondContact O-CB 3.26Å; A290-F294 WeakPolarHBondContact O-CD2 3.28Å; A290-F294 PolarHBondContact O-N 2.9Å; F294-L303 HydrophobicContact CD1-CD2 4.39Å; F294-L303 HydrophobicContact CE1-CD2 3.37Å; F294-L303 HydrophobicContact CZ-CD2 3.72Å; F294-L312 HydrophobicContact CE1-CD2 3.7Å; F294-L312 HydrophobicContact CZ-CD2 4.04Å; F294-N316 WeakPolarHBondContact CD2-ND2 3.46Å; F294-N316 WeakPolarHBondContact CD2-OD1 3.49Å; F294-N316 VanDerWaalsContact CE2-OD1 3.31Å; F294-N316 WeakPolarHBondContact CE2-OD1 3.14Å; F294-L338 HydrophobicContact CB-CD1 3.99Å |
| 295 | V | 94.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -52.8 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | Y291 G297 E337 L338 | Y291-V295 HydrophobicContact CD2-CB 3.92Å; Y291-V295 HydrophobicContact CD2-CG1 4.27Å; Y291-V295 HydrophobicContact CD2-CG2 3.69Å; Y291-V295 HydrophobicContact CE2-CB 3.79Å; Y291-V295 HydrophobicContact CE2-CG1 3.63Å; Y291-V295 HydrophobicContact CE2-CG2 3.86Å; Y291-V295 HydrophobicContact CG-CB 4.35Å; Y291-V295 HydrophobicContact CG-CG2 4.39Å; Y291-V295 WeakPolarHBondContact O-CA 3.43Å; Y291-V295 VanDerWaalsContact O-CB 3.26Å; Y291-V295 WeakPolarHBondContact O-CB 3.31Å; Y291-V295 PolarHBondContact O-N 3.3Å; V295-G297 VanDerWaalsContact C-N 3.3Å; V295-G297 PolarHBondContact O-N 2.87Å; V295-E337 HydrophobicContact CG1-CG 3.81Å; V295-E337 VanDerWaalsContact CG1-OE1 3.23Å; V295-E337 WeakPolarHBondContact CG1-OE1 3.46Å; V295-L338 HydrophobicContact CG2-CB 4.05Å; V295-L338 HydrophobicContact CG2-CD1 3.69Å; V295-L338 HydrophobicContact CG2-CG 4.49Å |
| 296 | Q | 92.8 | Very high | 89.4 | Confident | 26 Ų | 26 | 42.4 Ų | 42.4 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -8.2 | -176.9 | -60 | -62 | -35.4 | 0 | 0 | 113.9 | F225 R238 Y291 L292 I298 | F225-Q296 HydrophobicContact CB-CG 4.48Å; F225-Q296 HydrophobicContact CD1-CG 4.44Å; F225-Q296 HydrophobicContact CD2-CG 3.88Å; F225-Q296 HydrophobicContact CE2-CG 4.3Å; F225-Q296 HydrophobicContact CG-CG 3.98Å; R238-Q296 PolarHBondContact NH2-O 3.5Å; Y291-Q296 HydrophobicContact CD1-CG 4.15Å; Y291-Q296 HydrophobicContact CE1-CG 3.57Å; Y291-Q296 PolarHBondContact O-N 3.41Å; Y291-Q296 PolarHBondContact OH-NE2 2.86Å; L292-Q296 CarbonylContact O-C 3.38Å; L292-Q296 VanDerWaalsContact O-CB 3.32Å; L292-Q296 WeakPolarHBondContact O-CB 3.34Å; Q296-I298 HydrophobicContact CB-CD1 4.13Å; Q296-I298 HydrophobicContact CB-CG1 3.96Å; Q296-I298 PolarHBondContact O-N 3.43Å |
| 297 | G | 91.3 | Very high | 88.8 | Confident | 29 Ų | 29 | 44.6 Ų | 44.6 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | trans | 66.3 | 19.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | L292 V293 V295 R299 I300 | L292-G297 PolarHBondContact O-N 3.18Å; V293-G297 VanDerWaalsContact O-CA 3.25Å; V293-G297 WeakPolarHBondContact O-CA 3.48Å; V293-G297 PolarHBondContact O-N 3.17Å; V295-G297 VanDerWaalsContact C-N 3.3Å; V295-G297 PolarHBondContact O-N 2.87Å; G297-R299 PolarHBondContact O-N 3.28Å; G297-I300 WeakPolarHBondContact O-CG2 3.27Å | ||
| 298 | I | 91.8 | Very high | 88.6 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 121.3 | -176.1 | -58.6 | 178.2 | 0 | 0 | 0 | 109.3 | R238 A241 I245 L292 Q296 I300 | R238-I298 HydrophobicContact CG-CD1 3.9Å; R238-I298 HydrophobicContact CG-CG1 4.26Å; A241-I298 HydrophobicContact CB-CD1 3.64Å; I245-I298 HydrophobicContact CD1-CB 4.29Å; I245-I298 HydrophobicContact CD1-CG2 3.85Å; L292-I298 HydrophobicContact CB-CD1 4.34Å; L292-I298 HydrophobicContact CD2-CD1 4.04Å; L292-I298 WeakPolarHBondContact O-CB 3.36Å; L292-I298 PolarHBondContact O-N 2.82Å; Q296-I298 HydrophobicContact CB-CD1 4.13Å; Q296-I298 HydrophobicContact CB-CG1 3.96Å; Q296-I298 PolarHBondContact O-N 3.43Å; I298-I300 PolarHBondContact O-N 2.88Å; I298-I300 VanDerWaalsContact O-N 3.1Å |
| 299 | R | 87.6 | Confident | 88.3 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 25% | 0.249 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 25.1 | -178.6 | -63.9 | -178.1 | 178.6 | -113.5 | 0.8 | 114.1 | S242 I245 G246 F255 G297 D301 Q302 | S242-R299 PolarHBondContact O-NE 3.33Å; S242-R299 PolarHBondContact O-NH2 3.31Å; I245-R299 HydrophobicContact CG2-CB 4.41Å; G246-R299 VanDerWaalsContact CA-NH2 3.25Å; F255-R299 HydrophobicContact CE1-CB 4.05Å; F255-R299 HydrophobicContact CZ-CB 4.25Å; F255-R299 VanDerWaalsContact CZ-O 3.27Å; F255-R299 WeakPolarHBondContact CZ-O 3.36Å; G297-R299 PolarHBondContact O-N 3.28Å; R299-D301 VanDerWaalsContact CA-OD1 3.24Å; R299-D301 WeakPolarHBondContact CA-OD1 3.41Å; R299-D301 PolarHBondContact O-N 2.95Å; R299-D301 VanDerWaalsContact O-N 3.1Å; R299-Q302 PolarHBondContact O-N 3.38Å; R299-Q302 VanDerWaalsContact O-N 3.07Å |
| 300 | I | 87.8 | Confident | 88.2 | Confident | 80 Ų | 80 | 51.9 Ų | 51.9 | 41% | 0.41 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -61.6 | -21.3 | -177.5 | -163.2 | 169.4 | 0 | 0 | 0 | 112.6 | G297 I298 Q302 L303 | G297-I300 WeakPolarHBondContact O-CG2 3.27Å; I298-I300 PolarHBondContact O-N 2.88Å; I298-I300 VanDerWaalsContact O-N 3.1Å; I300-Q302 PolarHBondContact O-N 3.41Å; I300-Q302 VanDerWaalsContact O-N 3.16Å; I300-L303 WeakPolarHBondContact O-CB 3.44Å; I300-L303 PolarHBondContact O-N 3.06Å |
| 301 | D | 87.9 | Confident | 87.9 | Confident | 128 Ų | 128 | 55.7 Ų | 55.7 | 68% | 0.684 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -58.3 | -21.6 | 173.5 | 57.8 | -71.7 | 0 | 0 | 0 | 113.9 | R299 L303 | R299-D301 VanDerWaalsContact CA-OD1 3.24Å; R299-D301 WeakPolarHBondContact CA-OD1 3.41Å; R299-D301 PolarHBondContact O-N 2.95Å; R299-D301 VanDerWaalsContact O-N 3.1Å; D301-L303 VanDerWaalsContact C-N 3.33Å |
| 302 | Q | 86.4 | Confident | 87.7 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 34% | 0.341 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -83.1 | -9.1 | 177.2 | -53.9 | -171.1 | 9.4 | 0 | 0 | 113.3 | S249 F255 R299 I300 | S249-Q302 PolarHBondContact OG-OE1 3.17Å; F255-Q302 HydrophobicContact CE1-CB 3.81Å; F255-Q302 HydrophobicContact CE1-CG 4.23Å; F255-Q302 HydrophobicContact CZ-CB 3.91Å; R299-Q302 PolarHBondContact O-N 3.38Å; R299-Q302 VanDerWaalsContact O-N 3.07Å; I300-Q302 PolarHBondContact O-N 3.41Å; I300-Q302 VanDerWaalsContact O-N 3.16Å |
| 303 | L | 85.1 | Confident | 87.6 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -80.9 | 146.3 | 175.2 | -98.9 | 73.5 | 0 | 0 | 0 | 111.5 | F255 P256 F260 V293 F294 I300 D301 M305 L307 | F255-L303 HydrophobicContact CD2-CD1 4.11Å; F255-L303 HydrophobicContact CE2-CD1 3.1Å; F255-L303 HydrophobicContact CZ-CD1 3.51Å; P256-L303 HydrophobicContact CB-CD1 4.48Å; P256-L303 HydrophobicContact CG-CD1 4.07Å; F260-L303 HydrophobicContact CZ-CD2 4.23Å; V293-L303 HydrophobicContact CG1-CD1 3.9Å; V293-L303 HydrophobicContact CG1-CD2 4.33Å; F294-L303 HydrophobicContact CD1-CD2 4.39Å; F294-L303 HydrophobicContact CE1-CD2 3.37Å; F294-L303 HydrophobicContact CZ-CD2 3.72Å; I300-L303 WeakPolarHBondContact O-CB 3.44Å; I300-L303 PolarHBondContact O-N 3.06Å; D301-L303 VanDerWaalsContact C-N 3.33Å; L303-M305 PolarHBondContact O-N 3.28Å; L303-L307 HydrophobicContact CD2-CD1 4.27Å |
| 304 | P | 82.3 | Confident | 87.4 | Confident | 73 Ų | 73 | 61 Ų | 61 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | trans | -59.7 | 126.9 | 170 | -21.4 | 32.7 | 0 | 0 | 0 | 111.6 | V306 L307 | P304-V306 PolarHBondContact O-N 2.89Å; P304-V306 VanDerWaalsContact O-N 3.14Å; P304-L307 HydrophobicContact CB-CG 4.48Å; P304-L307 WeakPolarHBondContact O-CD1 3.45Å; P304-L307 WeakPolarHBondContact O-CG 3.39Å | ||
| 305 | M | 71.4 | Confident | 87.2 | Confident | 181 Ų | 181 | 61 Ų | 61 | 89% | 0.892 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -3 | -179.4 | -74.1 | -67.9 | -69 | 0 | 0 | 115.1 | L303 | L303-M305 PolarHBondContact O-N 3.28Š|
| 306 | V | 67.5 | Low | 87.1 | Confident | 141 Ų | 141 | 59.9 Ų | 59.9 | 86% | 0.855 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 14.4 | -171.7 | -163.9 | 0 | 0 | 0 | 0 | 112.4 | P304 | P304-V306 PolarHBondContact O-N 2.89Å; P304-V306 VanDerWaalsContact O-N 3.14Å |
| 307 | L | 78.3 | Confident | 87.2 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | trans | -81.6 | 124.7 | -173.7 | -63.1 | 171.6 | 0 | 0 | 0 | 111.6 | F260 L303 P304 Y311 L312 | F260-L307 HydrophobicContact CE1-CD1 4.15Å; F260-L307 HydrophobicContact CE2-CD1 4.31Å; F260-L307 HydrophobicContact CZ-CD1 3.48Å; F260-L307 VanDerWaalsContact CZ-CD1 3.48Å; L303-L307 HydrophobicContact CD2-CD1 4.27Å; P304-L307 HydrophobicContact CB-CG 4.48Å; P304-L307 WeakPolarHBondContact O-CD1 3.45Å; P304-L307 WeakPolarHBondContact O-CG 3.39Å; L307-Y311 HydrophobicContact CD2-CD1 3.78Å; L307-Y311 HydrophobicContact CD2-CE1 3.81Å; L307-L312 HydrophobicContact CB-CD1 4.29Å; L307-L312 HydrophobicContact CB-CD2 4.01Å; L307-L312 HydrophobicContact CB-CG 4.06Å; L307-L312 HydrophobicContact CD1-CD2 3.77Å; L307-L312 HydrophobicContact CG-CD2 4.47Å | ||
| 308 | S | 90.1 | Very high | 87.3 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | trans | -66.9 | 141 | 173.3 | 171.9 | 0 | 0 | 0 | 0 | 111 | L310 Y311 L312 | S308-L310 PolarHBondContact O-N 3.31Å; S308-L310 PolarHBondContact OG-N 3.4Å; S308-Y311 WeakPolarHBondContact O-CA 3.44Å; S308-Y311 VanDerWaalsContact O-CB 3.31Å; S308-Y311 WeakPolarHBondContact O-CB 3.26Å; S308-Y311 PolarHBondContact O-N 2.75Å; S308-L312 PolarHBondContact O-N 3.48Å; S308-L312 VanDerWaalsContact O-N 3.07Å | ||
| 309 | P | 91.7 | Very high | 87.4 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 34% | 0.338 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.3 | -36.3 | 174.2 | -27.9 | 35.7 | 0 | 0 | 0 | 113.8 | Y311 L312 L313 R345 I346 | P309-Y311 VanDerWaalsContact C-N 3.35Å; P309-L312 PolarHBondContact O-N 2.97Å; P309-L313 WeakPolarHBondContact O-CB 3.16Å; P309-L313 PolarHBondContact O-N 2.74Å; P309-R345 HydrophobicContact CB-CB 3.83Å; P309-R345 HydrophobicContact CG-CB 4.09Å; P309-I346 HydrophobicContact CB-CG1 4.07Å |
| 310 | L | 92.5 | Very high | 87.9 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 176.7 | -74.1 | 166.5 | 0 | 0 | 0 | 112.2 | S308 Q314 I346 L351 | S308-L310 PolarHBondContact O-N 3.31Å; S308-L310 PolarHBondContact OG-N 3.4Å; L310-Q314 PolarHBondContact O-N 2.91Å; L310-Q314 VanDerWaalsContact O-N 3.09Å; L310-I346 HydrophobicContact CD2-CD1 4.31Å; L310-I346 HydrophobicContact CD2-CG2 4.23Å; L310-L351 HydrophobicContact CD2-CD1 3.72Å |
| 311 | Y | 89.5 | Confident | 88.3 | Confident | 79 Ų | 79 | 53 Ų | 53 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 175 | -172.7 | -95 | 0 | 0 | 0 | 109.5 | F260 L307 S308 P309 L313 Q314 F315 | F260-Y311 AromaticContact CD1-CE1 3.91Å; F260-Y311 HydrophobicContact CD1-CE1 3.91Å; F260-Y311 HydrophobicContact CE1-CD1 4.49Å; F260-Y311 AromaticContact CE1-CE1 3.85Å; F260-Y311 HydrophobicContact CE1-CE1 3.85Å; L307-Y311 HydrophobicContact CD2-CD1 3.78Å; L307-Y311 HydrophobicContact CD2-CE1 3.81Å; S308-Y311 WeakPolarHBondContact O-CA 3.44Å; S308-Y311 VanDerWaalsContact O-CB 3.31Å; S308-Y311 WeakPolarHBondContact O-CB 3.26Å; S308-Y311 PolarHBondContact O-N 2.75Å; P309-Y311 VanDerWaalsContact C-N 3.35Å; Y311-L313 PolarHBondContact O-N 2.7Å; Y311-Q314 WeakPolarHBondContact O-CB 3.36Å; Y311-Q314 PolarHBondContact O-N 3.37Å; Y311-Q314 VanDerWaalsContact O-N 3.13Å; Y311-F315 AromaticContact CD1-CD2 3.75Å; Y311-F315 HydrophobicContact CD1-CD2 3.75Å; Y311-F315 AromaticContact CD1-CE2 3.55Å; Y311-F315 HydrophobicContact CD1-CE2 3.55Å; Y311-F315 AromaticContact CD2-CE2 3.83Å; Y311-F315 HydrophobicContact CD2-CE2 3.83Å; Y311-F315 AromaticContact CE1-CD2 3.62Å; Y311-F315 HydrophobicContact CE1-CD2 3.62Å; Y311-F315 AromaticContact CE1-CE2 3.12Å; Y311-F315 HydrophobicContact CE1-CE2 3.12Å; Y311-F315 AromaticContact CE1-CZ 3.91Å; Y311-F315 HydrophobicContact CE1-CZ 3.91Å; Y311-F315 AromaticContact CE2-CE2 3.45Å; Y311-F315 HydrophobicContact CE2-CE2 3.45Å; Y311-F315 VanDerWaalsContact CE2-CE2 3.45Å; Y311-F315 AromaticContact CE2-CZ 4Å; Y311-F315 HydrophobicContact CE2-CZ 4Å; Y311-F315 HydrophobicContact CG-CD2 4.27Å; Y311-F315 AromaticContact CG-CE2 3.9Å; Y311-F315 HydrophobicContact CG-CE2 3.9Å; Y311-F315 AromaticContact CZ-CE2 3.07Å; Y311-F315 AromaticContact CZ-CZ 3.52Å; Y311-F315 WeakPolarHBondContact O-CD2 3.44Å; Y311-F315 PolarHBondContact O-N 3.32Å; Y311-F315 WeakPolarHBondContact OH-CE2 3.33Å; Y311-F315 WeakPolarHBondContact OH-CZ 3.46Å |
| 312 | L | 90.6 | Very high | 88.6 | Confident | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 178.9 | -65.9 | 177.1 | 0 | 0 | 0 | 112.7 | F294 L307 S308 P309 Q314 F315 N316 | F294-L312 HydrophobicContact CE1-CD2 3.7Å; F294-L312 HydrophobicContact CZ-CD2 4.04Å; L307-L312 HydrophobicContact CB-CD1 4.29Å; L307-L312 HydrophobicContact CB-CD2 4.01Å; L307-L312 HydrophobicContact CB-CG 4.06Å; L307-L312 HydrophobicContact CD1-CD2 3.77Å; L307-L312 HydrophobicContact CG-CD2 4.47Å; S308-L312 PolarHBondContact O-N 3.48Å; S308-L312 VanDerWaalsContact O-N 3.07Å; P309-L312 PolarHBondContact O-N 2.97Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 3.49Å; L312-F315 PolarHBondContact O-N 3.25Å; L312-N316 WeakPolarHBondContact O-CB 3.41Å; L312-N316 PolarHBondContact O-N 3.14Å |
| 313 | L | 93.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.2 | -47.3 | 174.9 | 177.7 | 68.3 | 0 | 0 | 0 | 110.9 | P309 Y311 F315 N316 M317 L343 I346 L351 F361 | P309-L313 WeakPolarHBondContact O-CB 3.16Å; P309-L313 PolarHBondContact O-N 2.74Å; Y311-L313 PolarHBondContact O-N 2.7Å; L313-F315 VanDerWaalsContact C-N 3.29Å; L313-F315 PolarHBondContact O-N 2.97Å; L313-N316 PolarHBondContact O-N 3.21Å; L313-M317 HydrophobicContact CD1-CE 4.25Å; L313-M317 HydrophobicContact CD1-CG 4.01Å; L313-M317 HydrophobicContact CD1-SD 4.11Å; L313-M317 HydrophobicContact CG-CG 4.14Å; L313-M317 VanDerWaalsContact O-CG 3.26Å; L313-M317 WeakPolarHBondContact O-CG 3.48Å; L313-M317 PolarHBondContact O-N 2.8Å; L313-L343 HydrophobicContact CD1-CD2 4.06Å; L313-L343 HydrophobicContact CD2-CD2 4.11Å; L313-I346 HydrophobicContact CB-CD1 3.9Å; L313-I346 HydrophobicContact CD2-CD1 3.34Å; L313-I346 HydrophobicContact CG-CD1 4.1Å; L313-L351 HydrophobicContact CD2-CD1 3.99Å; L313-L351 HydrophobicContact CD2-CD2 4.05Å; L313-F361 HydrophobicContact CD2-CE1 3.87Å; L313-F361 HydrophobicContact CD2-CZ 4.29Å; L313-F361 HydrophobicContact CG-CE1 4.19Å; L313-F361 HydrophobicContact CG-CZ 4.17Å |
| 314 | Q | 91.2 | Very high | 89.8 | Confident | 73 Ų | 73 | 44.2 Ų | 44.2 | 34% | 0.341 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.5 | -41.4 | -179.3 | -171.8 | -177.5 | -2.4 | 0 | 0 | 112.9 | L310 Y311 L312 Y355 I358 F361 | L310-Q314 PolarHBondContact O-N 2.91Å; L310-Q314 VanDerWaalsContact O-N 3.09Å; Y311-Q314 WeakPolarHBondContact O-CB 3.36Å; Y311-Q314 PolarHBondContact O-N 3.37Å; Y311-Q314 VanDerWaalsContact O-N 3.13Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 3.49Å; Q314-Y355 HydrophobicContact CB-CE1 4.12Å; Q314-Y355 HydrophobicContact CG-CD1 4.46Å; Q314-Y355 HydrophobicContact CG-CE1 4.23Å; Q314-I358 HydrophobicContact CG-CD1 3.65Å; Q314-I358 VanDerWaalsContact NE2-CD1 3.26Å; Q314-F361 HydrophobicContact CB-CE2 4.43Å; Q314-F361 HydrophobicContact CB-CZ 4.28Å; Q314-F361 HydrophobicContact CG-CE2 4.24Å |
| 315 | F | 87.4 | Confident | 90.4 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.7 | -46.7 | 175.5 | -73.8 | -81.6 | 0 | 0 | 0 | 111.8 | F260 Y311 L312 L313 M317 | F260-F315 HydrophobicContact CB-CE1 4.49Å; F260-F315 HydrophobicContact CD1-CD1 4.24Å; F260-F315 HydrophobicContact CD1-CD2 4.19Å; F260-F315 HydrophobicContact CD1-CE1 4.29Å; F260-F315 HydrophobicContact CD1-CE2 4.35Å; F260-F315 HydrophobicContact CD1-CG 4.21Å; F260-F315 HydrophobicContact CD1-CZ 4.38Å; F260-F315 HydrophobicContact CE1-CD2 4.49Å; F260-F315 WeakPolarHBondContact O-CE1 3.46Å; Y311-F315 AromaticContact CD1-CD2 3.75Å; Y311-F315 HydrophobicContact CD1-CD2 3.75Å; Y311-F315 AromaticContact CD1-CE2 3.55Å; Y311-F315 HydrophobicContact CD1-CE2 3.55Å; Y311-F315 AromaticContact CD2-CE2 3.83Å; Y311-F315 HydrophobicContact CD2-CE2 3.83Å; Y311-F315 AromaticContact CE1-CD2 3.62Å; Y311-F315 HydrophobicContact CE1-CD2 3.62Å; Y311-F315 AromaticContact CE1-CE2 3.12Å; Y311-F315 HydrophobicContact CE1-CE2 3.12Å; Y311-F315 AromaticContact CE1-CZ 3.91Å; Y311-F315 HydrophobicContact CE1-CZ 3.91Å; Y311-F315 AromaticContact CE2-CE2 3.45Å; Y311-F315 HydrophobicContact CE2-CE2 3.45Å; Y311-F315 VanDerWaalsContact CE2-CE2 3.45Å; Y311-F315 AromaticContact CE2-CZ 4Å; Y311-F315 HydrophobicContact CE2-CZ 4Å; Y311-F315 HydrophobicContact CG-CD2 4.27Å; Y311-F315 AromaticContact CG-CE2 3.9Å; Y311-F315 HydrophobicContact CG-CE2 3.9Å; Y311-F315 AromaticContact CZ-CE2 3.07Å; Y311-F315 AromaticContact CZ-CZ 3.52Å; Y311-F315 WeakPolarHBondContact O-CD2 3.44Å; Y311-F315 PolarHBondContact O-N 3.32Å; Y311-F315 WeakPolarHBondContact OH-CE2 3.33Å; Y311-F315 WeakPolarHBondContact OH-CZ 3.46Å; L312-F315 PolarHBondContact O-N 3.25Å; L313-F315 VanDerWaalsContact C-N 3.29Å; L313-F315 PolarHBondContact O-N 2.97Å; F315-M317 VanDerWaalsContact C-N 3.27Å; F315-M317 PolarHBondContact O-N 3.14Å |
| 316 | N | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -23.8 | -174.6 | -75 | -22.2 | 0 | 0 | 0 | 113.4 | F294 L312 L313 G318 H319 I320 | F294-N316 WeakPolarHBondContact CD2-ND2 3.46Å; F294-N316 WeakPolarHBondContact CD2-OD1 3.49Å; F294-N316 VanDerWaalsContact CE2-OD1 3.31Å; F294-N316 WeakPolarHBondContact CE2-OD1 3.14Å; L312-N316 WeakPolarHBondContact O-CB 3.41Å; L312-N316 PolarHBondContact O-N 3.14Å; L313-N316 PolarHBondContact O-N 3.21Å; N316-G318 VanDerWaalsContact C-N 3.26Å; N316-G318 PolarHBondContact O-N 3.35Å; N316-H319 WeakPolarHBondContact O-CA 3.06Å; N316-H319 WeakPolarHBondContact O-CB 3.4Å; N316-H319 PolarHBondContact O-N 3.48Å; N316-I320 HydrophobicContact CB-CD1 4.21Å; N316-I320 VanDerWaalsContact O-CG1 3.28Å; N316-I320 WeakPolarHBondContact O-CG1 3.47Å; N316-I320 PolarHBondContact O-N 3.45Å |
| 317 | M | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.4 | -37.2 | 179.2 | -81.7 | -62.1 | -137.4 | 0 | 0 | 113.6 | L313 F315 I320 E321 L339 S360 F361 V364 Y391 | L313-M317 HydrophobicContact CD1-CE 4.25Å; L313-M317 HydrophobicContact CD1-CG 4.01Å; L313-M317 HydrophobicContact CD1-SD 4.11Å; L313-M317 HydrophobicContact CG-CG 4.14Å; L313-M317 VanDerWaalsContact O-CG 3.26Å; L313-M317 WeakPolarHBondContact O-CG 3.48Å; L313-M317 PolarHBondContact O-N 2.8Å; F315-M317 VanDerWaalsContact C-N 3.27Å; F315-M317 PolarHBondContact O-N 3.14Å; M317-I320 PolarHBondContact O-N 2.7Å; M317-I320 HydrophobicContact SD-CD1 4.24Å; M317-E321 PolarHBondContact O-N 3.16Å; M317-L339 HydrophobicContact SD-CD1 4.21Å; M317-S360 WeakPolarHBondContact CB-OG 3.35Å; M317-F361 HydrophobicContact CB-CD2 4.13Å; M317-F361 HydrophobicContact CB-CE2 3.87Å; M317-F361 HydrophobicContact CB-CZ 4.38Å; M317-F361 HydrophobicContact CE-CD1 3.62Å; M317-F361 HydrophobicContact CE-CE1 3.82Å; M317-F361 HydrophobicContact CE-CG 4Å; M317-F361 HydrophobicContact CE-CZ 4.4Å; M317-F361 HydrophobicContact CG-CD1 4.36Å; M317-F361 HydrophobicContact CG-CD2 3.94Å; M317-F361 HydrophobicContact CG-CE1 4.02Å; M317-F361 HydrophobicContact CG-CE2 3.6Å; M317-F361 HydrophobicContact CG-CG 4.33Å; M317-F361 HydrophobicContact CG-CZ 3.64Å; M317-V364 WeakPolarHBondContact O-CG2 3.45Å; M317-V364 HydrophobicContact SD-CB 4.15Å; M317-V364 HydrophobicContact SD-CG1 4.07Å; M317-V364 HydrophobicContact SD-CG2 3.98Å; M317-Y391 HydrophobicContact CE-CD2 4.07Å; M317-Y391 HydrophobicContact CE-CE2 3.25Å |
| 318 | G | 92.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 43 Ų | 43 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.7 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N316 V322 | N316-G318 VanDerWaalsContact C-N 3.26Å; N316-G318 PolarHBondContact O-N 3.35Å; G318-V322 WeakPolarHBondContact O-CG2 3.48Å; G318-V322 PolarHBondContact O-N 3.44Å |
| 319 | H | 94 | Very high | 93.8 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73 | -38.1 | 176.8 | -60.8 | -52.1 | 0 | 0 | 0 | 112.1 | H262 A287 A290 N316 E321 V322 F323 L338 | H262-H319 AromaticContact ND1-CE1 3.67Å; A287-H319 HydrophobicContact CB-CB 4.02Å; A290-H319 HydrophobicContact CB-CB 4.13Å; N316-H319 WeakPolarHBondContact O-CA 3.06Å; N316-H319 WeakPolarHBondContact O-CB 3.4Å; N316-H319 PolarHBondContact O-N 3.48Å; H319-E321 VanDerWaalsContact C-N 3.32Å; H319-E321 PolarHBondContact O-N 3.28Å; H319-V322 WeakPolarHBondContact O-CB 3.26Å; H319-V322 PolarHBondContact O-N 2.92Å; H319-F323 WeakPolarHBondContact O-CD2 3.49Å; H319-F323 PolarHBondContact O-N 3.44Å; H319-F323 VanDerWaalsContact O-N 3.12Å; H319-L338 HydrophobicContact CB-CD2 4.37Å |
| 320 | I | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 174.2 | -65.7 | 160.4 | 0 | 0 | 0 | 110.1 | N316 M317 V322 F323 L324 L338 L339 V364 | N316-I320 HydrophobicContact CB-CD1 4.21Å; N316-I320 VanDerWaalsContact O-CG1 3.28Å; N316-I320 WeakPolarHBondContact O-CG1 3.47Å; N316-I320 PolarHBondContact O-N 3.45Å; M317-I320 PolarHBondContact O-N 2.7Å; M317-I320 HydrophobicContact SD-CD1 4.24Å; I320-V322 VanDerWaalsContact C-N 3.31Å; I320-V322 PolarHBondContact O-N 3.49Å; I320-F323 PolarHBondContact O-N 2.94Å; I320-L324 HydrophobicContact CG2-CD1 3.9Å; I320-L324 HydrophobicContact CG2-CG 4.23Å; I320-L324 WeakPolarHBondContact O-CG 3.39Å; I320-L324 PolarHBondContact O-N 2.76Å; I320-L338 HydrophobicContact CD1-CG 4.33Å; I320-L338 HydrophobicContact CG1-CB 4.29Å; I320-L338 HydrophobicContact CG1-CD2 3.85Å; I320-L338 HydrophobicContact CG1-CG 3.92Å; I320-L339 HydrophobicContact CD1-CB 3.94Å; I320-L339 HydrophobicContact CD1-CD1 3.88Å; I320-L339 HydrophobicContact CG1-CB 4.34Å; I320-L339 HydrophobicContact CG2-CB 3.99Å; I320-L339 HydrophobicContact CG2-CD1 4.42Å; I320-L339 HydrophobicContact CG2-CD2 4.46Å; I320-V364 HydrophobicContact CB-CG2 4.28Å; I320-V364 HydrophobicContact CG2-CG1 3.8Å; I320-V364 HydrophobicContact CG2-CG2 4Å |
| 321 | E | 96.5 | Very high | 94 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.3 | -45.4 | 174.2 | 179.1 | 176.8 | -154.9 | 0 | 0 | 111.7 | M317 H319 F323 L324 Q325 T363 V364 | M317-E321 PolarHBondContact O-N 3.16Å; H319-E321 VanDerWaalsContact C-N 3.32Å; H319-E321 PolarHBondContact O-N 3.28Å; E321-F323 VanDerWaalsContact C-N 3.33Å; E321-F323 PolarHBondContact O-N 3.43Å; E321-L324 PolarHBondContact O-N 3.27Å; E321-Q325 VanDerWaalsContact O-CG 3.32Å; E321-Q325 WeakPolarHBondContact O-CG 3.25Å; E321-Q325 PolarHBondContact O-N 3.47Å; E321-Q325 VanDerWaalsContact O-N 3.11Å; E321-Q325 PolarHBondContact OE1-NE2 3.36Å; E321-T363 VanDerWaalsContact OE1-CB 3.25Å; E321-T363 WeakPolarHBondContact OE1-CB 3.48Å; E321-T363 PolarHBondContact OE1-OG1 3.48Å; E321-T363 PolarHBondContact OE2-OG1 2.89Å; E321-V364 HydrophobicContact CB-CG2 3.91Å |
| 322 | V | 95.1 | Very high | 94.4 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 177.2 | 174 | 0 | 0 | 0 | 0 | 111.4 | A283 D284 A287 G318 H319 I320 R326 | A283-V322 HydrophobicContact CB-CG2 4.1Å; D284-V322 WeakPolarHBondContact OD1-CG1 3.47Å; A287-V322 HydrophobicContact CB-CB 4.09Å; A287-V322 HydrophobicContact CB-CG1 3.98Å; G318-V322 WeakPolarHBondContact O-CG2 3.48Å; G318-V322 PolarHBondContact O-N 3.44Å; H319-V322 WeakPolarHBondContact O-CB 3.26Å; H319-V322 PolarHBondContact O-N 2.92Å; I320-V322 VanDerWaalsContact C-N 3.31Å; I320-V322 PolarHBondContact O-N 3.49Å; V322-R326 WeakPolarHBondContact O-CG 3.35Å |
| 323 | F | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.6 | -76 | -67.5 | 0 | 0 | 0 | 113 | L221 A287 Y291 H319 I320 E321 Q325 R326 V331 K334 L338 | L221-F323 HydrophobicContact CD1-CD1 4.21Å; L221-F323 HydrophobicContact CD1-CE1 3.45Å; L221-F323 VanDerWaalsContact CD1-CE1 3.45Å; L221-F323 HydrophobicContact CD1-CZ 4.09Å; A287-F323 VanDerWaalsContact C-CZ 3.49Å; A287-F323 HydrophobicContact CB-CD2 4.16Å; A287-F323 HydrophobicContact CB-CE2 3.75Å; A287-F323 HydrophobicContact CB-CZ 4Å; A287-F323 VanDerWaalsContact O-CE2 3.25Å; A287-F323 WeakPolarHBondContact O-CE2 3.24Å; A287-F323 VanDerWaalsContact O-CZ 3.24Å; A287-F323 WeakPolarHBondContact O-CZ 3.25Å; Y291-F323 HydrophobicContact CG-CZ 4.5Å; H319-F323 WeakPolarHBondContact O-CD2 3.49Å; H319-F323 PolarHBondContact O-N 3.44Å; H319-F323 VanDerWaalsContact O-N 3.12Å; I320-F323 PolarHBondContact O-N 2.94Å; E321-F323 VanDerWaalsContact C-N 3.33Å; E321-F323 PolarHBondContact O-N 3.43Å; F323-Q325 VanDerWaalsContact C-N 3.28Å; F323-Q325 PolarHBondContact O-N 3.36Å; F323-R326 WeakPolarHBondContact O-CB 3.29Å; F323-R326 PolarHBondContact O-N 3.33Å; F323-V331 HydrophobicContact CD1-CG1 3.6Å; F323-V331 WeakPolarHBondContact CD1-O 3.27Å; F323-V331 HydrophobicContact CE1-CG1 4.21Å; F323-K334 HydrophobicContact CD1-CB 4.32Å; F323-K334 HydrophobicContact CE1-CB 4.04Å; F323-K334 HydrophobicContact CZ-CB 4.47Å; F323-L338 HydrophobicContact CD2-CD2 4.31Å; F323-L338 HydrophobicContact CE2-CD2 4Å |
| 324 | L | 97.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.4 | -13.1 | -176.5 | -63.6 | -179.9 | 0 | 0 | 0 | 113.7 | I320 E321 R326 L336 V364 L368 V371 | I320-L324 HydrophobicContact CG2-CD1 3.9Å; I320-L324 HydrophobicContact CG2-CG 4.23Å; I320-L324 WeakPolarHBondContact O-CG 3.39Å; I320-L324 PolarHBondContact O-N 2.76Å; E321-L324 PolarHBondContact O-N 3.27Å; L324-R326 VanDerWaalsContact C-N 3.28Å; L324-L336 HydrophobicContact CD2-CD2 4.04Å; L324-L336 HydrophobicContact CD2-CG 4.26Å; L324-V364 HydrophobicContact CD1-CG1 3.96Å; L324-L368 HydrophobicContact CD1-CD2 3.74Å; L324-L368 HydrophobicContact CD1-CG 4.03Å; L324-L368 HydrophobicContact CD2-CD2 4.26Å; L324-V371 HydrophobicContact CD2-CG2 4.25Å |
| 325 | Q | 95 | Very high | 95.2 | Very high | 136 Ų | 136 | 33.9 Ų | 33.9 | 64% | 0.636 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.7 | 172.2 | -73.8 | 178.3 | 8.5 | 0 | 0 | 113.2 | E321 F323 | E321-Q325 VanDerWaalsContact O-CG 3.32Å; E321-Q325 WeakPolarHBondContact O-CG 3.25Å; E321-Q325 PolarHBondContact O-N 3.47Å; E321-Q325 VanDerWaalsContact O-N 3.11Å; E321-Q325 PolarHBondContact OE1-NE2 3.36Å; F323-Q325 VanDerWaalsContact C-N 3.28Å; F323-Q325 PolarHBondContact O-N 3.36Å |
| 326 | R | 95 | Very high | 95.8 | Very high | 83 Ų | 83 | 32.1 Ų | 32.1 | 31% | 0.313 | 17% | 0.17 | S | C | . | . | trans | -86.7 | 163.9 | -179 | -64.5 | -75.5 | 175 | -177 | -5 | 111.2 | D284 V322 F323 L324 E328 V331 I332 | D284-R326 IonicContact OD1-CZ 3.97Å; D284-R326 IonicContact OD1-NE 3.66Å; D284-R326 PolarHBondContact OD1-NE 2.84Å; D284-R326 IonicContact OD1-NH2 2.7Å; D284-R326 PolarHBondContact OD1-NH2 2.98Å; D284-R326 IonicContact OD2-CZ 2.8Å; D284-R326 IonicContact OD2-NH2 3.93Å; D284-R326 PolarHBondContact OD2-NH2 2.83Å; V322-R326 WeakPolarHBondContact O-CG 3.35Å; F323-R326 WeakPolarHBondContact O-CB 3.29Å; F323-R326 PolarHBondContact O-N 3.33Å; L324-R326 VanDerWaalsContact C-N 3.28Å; R326-E328 WeakPolarHBondContact CB-OE2 3.47Å; R326-V331 HydrophobicContact CB-CB 4.17Å; R326-V331 HydrophobicContact CB-CG1 3.67Å; R326-V331 HydrophobicContact CG-CG1 3.71Å; R326-I332 WeakPolarHBondContact O-CD1 3.45Å; R326-I332 WeakPolarHBondContact O-CG1 3.26Å | ||
| 327 | T | 94.9 | Very high | 96 | Very high | 123 Ų | 123 | 34.7 Ų | 34.7 | 76% | 0.755 | 18% | 0.181 | S | C | * | . | trans | -113 | -17.8 | -177.2 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 328 | E | 94.1 | Very high | 96.1 | Very high | 77 Ų | 77 | 34.7 Ų | 34.7 | 36% | 0.36 | 18% | 0.182 | S | C | . | . | trans | -67.4 | 128.5 | 178.9 | -56 | 93 | 144.7 | 0 | 0 | 110.8 | R326 S330 V331 I332 | R326-E328 WeakPolarHBondContact CB-OE2 3.47Å; E328-S330 VanDerWaalsContact C-N 3.31Å; E328-S330 PolarHBondContact O-N 3.48Å; E328-V331 HydrophobicContact CB-CB 4.11Å; E328-V331 HydrophobicContact CB-CG2 3.75Å; E328-V331 HydrophobicContact CG-CG2 4.45Å; E328-V331 PolarHBondContact O-N 3.29Å; E328-V331 VanDerWaalsContact O-N 3.09Å; E328-I332 WeakPolarHBondContact O-CG1 3.24Å; E328-I332 PolarHBondContact O-N 3.28Å | ||
| 329 | E | 94.4 | Very high | 96.4 | Very high | 109 Ų | 109 | 33.3 Ų | 33.3 | 51% | 0.509 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -53.3 | -47.6 | -178.2 | 179 | -178.8 | -176.3 | 0 | 0 | 112.2 | V331 I332 S333 I377 L380 | E329-V331 VanDerWaalsContact C-N 3.27Å; E329-V331 PolarHBondContact O-N 2.76Å; E329-I332 PolarHBondContact O-N 3.37Å; E329-S333 VanDerWaalsContact O-CB 3.31Å; E329-S333 WeakPolarHBondContact O-CB 3.46Å; E329-S333 PolarHBondContact O-N 2.89Å; E329-I377 HydrophobicContact CB-CG1 4.36Å; E329-I377 HydrophobicContact CG-CG1 4.05Å; E329-L380 HydrophobicContact CB-CD1 4.37Å; E329-L380 HydrophobicContact CG-CD1 3.76Å |
| 330 | S | 93.2 | Very high | 96.6 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -37.8 | -179.6 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | T222 Q224 E328 K334 | T222-S330 VanDerWaalsContact O-CB 3.26Å; T222-S330 WeakPolarHBondContact O-CB 3.36Å; T222-S330 PolarHBondContact O-OG 3.15Å; Q224-S330 VanDerWaalsContact NE2-CB 3.25Å; Q224-S330 PolarHBondContact NE2-O 2.95Å; E328-S330 VanDerWaalsContact C-N 3.31Å; E328-S330 PolarHBondContact O-N 3.48Å; S330-K334 WeakPolarHBondContact O-CD 3.27Å; S330-K334 VanDerWaalsContact O-CG 3.24Å; S330-K334 WeakPolarHBondContact O-CG 3.49Å; S330-K334 PolarHBondContact O-N 3.18Å |
| 331 | V | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -78.1 | -43.6 | -175.7 | -175 | 0 | 0 | 0 | 0 | 110.6 | L221 T222 F323 R326 E328 E329 S333 K334 G335 | L221-V331 HydrophobicContact CD1-CG1 4.42Å; L221-V331 HydrophobicContact CD2-CG1 4.43Å; L221-V331 HydrophobicContact CG-CG1 4.22Å; L221-V331 HydrophobicContact CG-CG2 4.27Å; T222-V331 HydrophobicContact CG2-CG2 3.77Å; F323-V331 HydrophobicContact CD1-CG1 3.6Å; F323-V331 WeakPolarHBondContact CD1-O 3.27Å; F323-V331 HydrophobicContact CE1-CG1 4.21Å; R326-V331 HydrophobicContact CB-CB 4.17Å; R326-V331 HydrophobicContact CB-CG1 3.67Å; R326-V331 HydrophobicContact CG-CG1 3.71Å; E328-V331 HydrophobicContact CB-CB 4.11Å; E328-V331 HydrophobicContact CB-CG2 3.75Å; E328-V331 HydrophobicContact CG-CG2 4.45Å; E328-V331 PolarHBondContact O-N 3.29Å; E328-V331 VanDerWaalsContact O-N 3.09Å; E329-V331 VanDerWaalsContact C-N 3.27Å; E329-V331 PolarHBondContact O-N 2.76Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-S333 PolarHBondContact O-N 3.21Å; V331-K334 PolarHBondContact O-N 3.01Å; V331-G335 PolarHBondContact O-N 3.02Å; V331-G335 VanDerWaalsContact O-N 3.1Å |
| 332 | I | 97.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 173.9 | -64.7 | 169 | 0 | 0 | 0 | 110.3 | R326 E328 E329 K334 G335 L336 V371 L380 | R326-I332 WeakPolarHBondContact O-CD1 3.45Å; R326-I332 WeakPolarHBondContact O-CG1 3.26Å; E328-I332 WeakPolarHBondContact O-CG1 3.24Å; E328-I332 PolarHBondContact O-N 3.28Å; E329-I332 PolarHBondContact O-N 3.37Å; I332-K334 VanDerWaalsContact C-N 3.3Å; I332-K334 PolarHBondContact O-N 3.1Å; I332-G335 PolarHBondContact O-N 3.15Å; I332-G335 VanDerWaalsContact O-N 3.13Å; I332-L336 HydrophobicContact CG2-CD1 4.03Å; I332-L336 HydrophobicContact CG2-CG 4.33Å; I332-L336 WeakPolarHBondContact O-CG 3.34Å; I332-L336 PolarHBondContact O-N 3.23Å; I332-V371 HydrophobicContact CG2-CG1 3.87Å; I332-V371 HydrophobicContact CG2-CG2 3.94Å; I332-L380 HydrophobicContact CB-CD1 4.16Å; I332-L380 HydrophobicContact CG2-CD1 4.04Å |
| 333 | S | 97.2 | Very high | 96.6 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 22% | 0.224 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.1 | -46.1 | 178.5 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | E329 V331 G335 L336 E337 | E329-S333 VanDerWaalsContact O-CB 3.31Å; E329-S333 WeakPolarHBondContact O-CB 3.46Å; E329-S333 PolarHBondContact O-N 2.89Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-S333 PolarHBondContact O-N 3.21Å; S333-G335 PolarHBondContact O-N 3.35Å; S333-L336 PolarHBondContact O-N 3.13Å; S333-E337 WeakPolarHBondContact O-CB 3.48Å; S333-E337 PolarHBondContact O-N 3.11Å |
| 334 | K | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 177.2 | -70.1 | 170.8 | 69.8 | 167.9 | 0 | 112.9 | L220 L221 A223 Y291 F323 S330 V331 I332 E337 L338 | L220-K334 PolarHBondContact O-NZ 3.24Å; L221-K334 WeakPolarHBondContact O-CD 3.39Å; L221-K334 WeakPolarHBondContact O-CE 3.41Å; L221-K334 PolarHBondContact O-NZ 2.72Å; A223-K334 PolarHBondContact O-NZ 3.4Å; Y291-K334 HydrophobicContact CD1-CD 4.44Å; Y291-K334 HydrophobicContact CD1-CG 4.5Å; Y291-K334 HydrophobicContact CD2-CB 3.65Å; Y291-K334 HydrophobicContact CD2-CG 4.09Å; Y291-K334 WeakPolarHBondContact CD2-O 3.31Å; Y291-K334 HydrophobicContact CE1-CD 4.22Å; Y291-K334 HydrophobicContact CE1-CG 4.09Å; Y291-K334 HydrophobicContact CE2-CB 3.57Å; Y291-K334 HydrophobicContact CE2-CG 3.64Å; Y291-K334 HydrophobicContact CG-CB 4.25Å; Y291-K334 HydrophobicContact CG-CG 4.5Å; F323-K334 HydrophobicContact CD1-CB 4.32Å; F323-K334 HydrophobicContact CE1-CB 4.04Å; F323-K334 HydrophobicContact CZ-CB 4.47Å; S330-K334 WeakPolarHBondContact O-CD 3.27Å; S330-K334 VanDerWaalsContact O-CG 3.24Å; S330-K334 WeakPolarHBondContact O-CG 3.49Å; S330-K334 PolarHBondContact O-N 3.18Å; V331-K334 PolarHBondContact O-N 3.01Å; I332-K334 VanDerWaalsContact C-N 3.3Å; I332-K334 PolarHBondContact O-N 3.1Å; K334-E337 PolarHBondContact O-N 2.81Å; K334-L338 WeakPolarHBondContact O-CB 3.48Å; K334-L338 PolarHBondContact O-N 3.02Å |
| 335 | G | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V331 I332 S333 L338 L339 | V331-G335 PolarHBondContact O-N 3.02Å; V331-G335 VanDerWaalsContact O-N 3.1Å; I332-G335 PolarHBondContact O-N 3.15Å; I332-G335 VanDerWaalsContact O-N 3.13Å; S333-G335 PolarHBondContact O-N 3.35Å; G335-L338 PolarHBondContact O-N 3.49Å; G335-L339 WeakPolarHBondContact O-CB 3.32Å; G335-L339 PolarHBondContact O-N 3.49Å |
| 336 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 176.8 | -68.5 | 173.3 | 0 | 0 | 0 | 111.7 | L324 I332 S333 L339 E340 L368 L380 K383 M387 | L324-L336 HydrophobicContact CD2-CD2 4.04Å; L324-L336 HydrophobicContact CD2-CG 4.26Å; I332-L336 HydrophobicContact CG2-CD1 4.03Å; I332-L336 HydrophobicContact CG2-CG 4.33Å; I332-L336 WeakPolarHBondContact O-CG 3.34Å; I332-L336 PolarHBondContact O-N 3.23Å; S333-L336 PolarHBondContact O-N 3.13Å; L336-L339 PolarHBondContact O-N 2.79Å; L336-E340 VanDerWaalsContact O-CB 3.29Å; L336-E340 WeakPolarHBondContact O-CB 3.17Å; L336-E340 PolarHBondContact O-N 3.19Å; L336-L368 HydrophobicContact CD2-CD2 3.41Å; L336-L368 VanDerWaalsContact CD2-CD2 3.41Å; L336-L380 HydrophobicContact CD1-CD2 4.17Å; L336-K383 HydrophobicContact CB-CD 4.19Å; L336-K383 HydrophobicContact CB-CG 4.41Å; L336-K383 HydrophobicContact CD1-CB 4.2Å; L336-K383 HydrophobicContact CD1-CD 4.3Å; L336-K383 HydrophobicContact CD1-CG 4.12Å; L336-M387 HydrophobicContact CD2-CB 4.41Å; L336-M387 HydrophobicContact CD2-CG 4.11Å |
| 337 | E | 97.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 176.6 | -170.9 | -177.1 | -173 | 0 | 0 | 112.5 | Y291 V295 S333 K334 L339 E340 N341 | Y291-E337 HydrophobicContact CE2-CB 4.34Å; Y291-E337 VanDerWaalsContact CE2-OE2 3.27Å; Y291-E337 WeakPolarHBondContact CE2-OE2 3.31Å; Y291-E337 PolarHBondContact OH-OE2 3.31Å; V295-E337 HydrophobicContact CG1-CG 3.81Å; V295-E337 VanDerWaalsContact CG1-OE1 3.23Å; V295-E337 WeakPolarHBondContact CG1-OE1 3.46Å; S333-E337 WeakPolarHBondContact O-CB 3.48Å; S333-E337 PolarHBondContact O-N 3.11Å; K334-E337 PolarHBondContact O-N 2.81Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 2.86Å; E337-E340 PolarHBondContact O-N 3.12Å; E337-N341 WeakPolarHBondContact O-CB 3.45Å; E337-N341 PolarHBondContact O-N 3.31Å |
| 338 | L | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.2 | -178.7 | 63.1 | 0 | 0 | 0 | 111.6 | A290 Y291 F294 V295 H319 I320 F323 K334 G335 S342 | A290-L338 HydrophobicContact CB-CD2 4.5Å; Y291-L338 HydrophobicContact CD2-CB 4.43Å; F294-L338 HydrophobicContact CB-CD1 3.99Å; V295-L338 HydrophobicContact CG2-CB 4.05Å; V295-L338 HydrophobicContact CG2-CD1 3.69Å; V295-L338 HydrophobicContact CG2-CG 4.49Å; H319-L338 HydrophobicContact CB-CD2 4.37Å; I320-L338 HydrophobicContact CD1-CG 4.33Å; I320-L338 HydrophobicContact CG1-CB 4.29Å; I320-L338 HydrophobicContact CG1-CD2 3.85Å; I320-L338 HydrophobicContact CG1-CG 3.92Å; F323-L338 HydrophobicContact CD2-CD2 4.31Å; F323-L338 HydrophobicContact CE2-CD2 4Å; K334-L338 WeakPolarHBondContact O-CB 3.48Å; K334-L338 PolarHBondContact O-N 3.02Å; G335-L338 PolarHBondContact O-N 3.49Å; L338-S342 WeakPolarHBondContact O-CB 3.45Å; L338-S342 PolarHBondContact O-N 2.97Å; L338-S342 PolarHBondContact O-OG 2.66Å |
| 339 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 174.5 | 179.5 | 62.6 | 0 | 0 | 0 | 111.4 | M317 I320 G335 L336 E337 S342 L343 V364 L368 M387 | M317-L339 HydrophobicContact SD-CD1 4.21Å; I320-L339 HydrophobicContact CD1-CB 3.94Å; I320-L339 HydrophobicContact CD1-CD1 3.88Å; I320-L339 HydrophobicContact CG1-CB 4.34Å; I320-L339 HydrophobicContact CG2-CB 3.99Å; I320-L339 HydrophobicContact CG2-CD1 4.42Å; I320-L339 HydrophobicContact CG2-CD2 4.46Å; G335-L339 WeakPolarHBondContact O-CB 3.32Å; G335-L339 PolarHBondContact O-N 3.49Å; L336-L339 PolarHBondContact O-N 2.79Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 2.86Å; L339-S342 PolarHBondContact O-N 3.49Å; L339-L343 HydrophobicContact CD1-CD1 3.72Å; L339-L343 HydrophobicContact CD1-CD2 4.49Å; L339-L343 HydrophobicContact CD1-CG 3.9Å; L339-L343 HydrophobicContact CD2-CD1 4.49Å; L339-L343 HydrophobicContact CG-CD1 3.84Å; L339-L343 HydrophobicContact CG-CG 4.33Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 WeakPolarHBondContact O-CG 3.46Å; L339-L343 PolarHBondContact O-N 2.69Å; L339-V364 HydrophobicContact CD1-CG1 4.36Å; L339-V364 HydrophobicContact CD2-CG1 4.14Å; L339-L368 HydrophobicContact CD2-CD1 3.84Å; L339-L368 HydrophobicContact CD2-CD2 3.95Å; L339-L368 HydrophobicContact CD2-CG 4.33Å; L339-M387 HydrophobicContact CD2-CB 4.07Å |
| 340 | E | 98.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.7 | -53.9 | 177.5 | -173.1 | 163 | -143.5 | 0 | 0 | 111.2 | L336 E337 S342 L343 L344 K383 M387 | L336-E340 VanDerWaalsContact O-CB 3.29Å; L336-E340 WeakPolarHBondContact O-CB 3.17Å; L336-E340 PolarHBondContact O-N 3.19Å; E337-E340 PolarHBondContact O-N 3.12Å; E340-S342 VanDerWaalsContact C-N 3.25Å; E340-S342 PolarHBondContact O-N 3.42Å; E340-L343 PolarHBondContact O-N 3.4Å; E340-L343 VanDerWaalsContact O-N 3.16Å; E340-L344 HydrophobicContact CG-CD1 3.9Å; E340-L344 HydrophobicContact CG-CG 4.31Å; E340-L344 WeakPolarHBondContact O-CB 3.48Å; E340-L344 VanDerWaalsContact O-CG 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.49Å; E340-L344 PolarHBondContact O-N 3.13Å; E340-K383 WeakPolarHBondContact OE2-CE 3.27Å; E340-K383 IonicContact OE2-NZ 3.5Å; E340-K383 PolarHBondContact OE2-NZ 3.21Å; E340-M387 HydrophobicContact CB-CE 4.14Å; E340-M387 HydrophobicContact CB-SD 3.48Å; E340-M387 WeakPolarHBondContact CB-SD 3.48Å; E340-M387 HydrophobicContact CG-CE 3.83Å; E340-M387 HydrophobicContact CG-SD 3.87Å; E340-M387 WeakPolarHBondContact OE1-CE 3.37Å |
| 341 | N | 95.4 | Very high | 96.7 | Very high | 62 Ų | 62 | 41.3 Ų | 41.3 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 178.7 | -79.6 | -18.2 | 0 | 0 | 0 | 112.6 | E337 | E337-N341 WeakPolarHBondContact O-CB 3.45Å; E337-N341 PolarHBondContact O-N 3.31Å |
| 342 | S | 95.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71 | -40.2 | 177 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | L338 L339 E340 | L338-S342 WeakPolarHBondContact O-CB 3.45Å; L338-S342 PolarHBondContact O-N 2.97Å; L338-S342 PolarHBondContact O-OG 2.66Å; L339-S342 PolarHBondContact O-N 3.49Å; E340-S342 VanDerWaalsContact C-N 3.25Å; E340-S342 PolarHBondContact O-N 3.42Å |
| 343 | L | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -79.2 | -33.4 | -177.5 | -68.6 | 177.9 | 0 | 0 | 0 | 113.5 | L313 L339 E340 R345 I346 L390 Y391 K394 | L313-L343 HydrophobicContact CD1-CD2 4.06Å; L313-L343 HydrophobicContact CD2-CD2 4.11Å; L339-L343 HydrophobicContact CD1-CD1 3.72Å; L339-L343 HydrophobicContact CD1-CD2 4.49Å; L339-L343 HydrophobicContact CD1-CG 3.9Å; L339-L343 HydrophobicContact CD2-CD1 4.49Å; L339-L343 HydrophobicContact CG-CD1 3.84Å; L339-L343 HydrophobicContact CG-CG 4.33Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 WeakPolarHBondContact O-CG 3.46Å; L339-L343 PolarHBondContact O-N 2.69Å; E340-L343 PolarHBondContact O-N 3.4Å; E340-L343 VanDerWaalsContact O-N 3.16Å; L343-R345 PolarHBondContact O-N 2.74Å; L343-R345 VanDerWaalsContact O-N 3.11Å; L343-I346 HydrophobicContact CD2-CD1 4.42Å; L343-I346 PolarHBondContact O-N 3.22Å; L343-L390 HydrophobicContact CB-CD2 3.79Å; L343-L390 HydrophobicContact CB-CG 4.07Å; L343-L390 HydrophobicContact CD1-CB 4.47Å; L343-L390 HydrophobicContact CD1-CD2 4.17Å; L343-L390 HydrophobicContact CD1-CG 4.12Å; L343-Y391 HydrophobicContact CD1-CD2 4.14Å; L343-Y391 HydrophobicContact CD2-CD2 3.89Å; L343-K394 HydrophobicContact CB-CG 4.45Å; L343-K394 HydrophobicContact CD2-CG 4.08Å; L343-K394 VanDerWaalsContact O-CE 3.26Å; L343-K394 WeakPolarHBondContact O-CE 3.38Å |
| 344 | L | 96 | Very high | 96.6 | Very high | 103 Ų | 103 | 50.9 Ų | 50.9 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.4 | -179.3 | -77.1 | 174 | 0 | 0 | 0 | 113.4 | E340 I346 L390 | E340-L344 HydrophobicContact CG-CD1 3.9Å; E340-L344 HydrophobicContact CG-CG 4.31Å; E340-L344 WeakPolarHBondContact O-CB 3.48Å; E340-L344 VanDerWaalsContact O-CG 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.49Å; E340-L344 PolarHBondContact O-N 3.13Å; L344-I346 VanDerWaalsContact C-N 3.34Å; L344-L390 HydrophobicContact CD2-CD2 4.46Å |
| 345 | R | 92.4 | Very high | 96.5 | Very high | 200 Ų | 200 | 53.1 Ų | 53.1 | 76% | 0.755 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -4.8 | 178.2 | -59.2 | -61.7 | -175.3 | -178 | -0.4 | 114 | P309 L343 | P309-R345 HydrophobicContact CB-CB 3.83Å; P309-R345 HydrophobicContact CG-CB 4.09Å; L343-R345 PolarHBondContact O-N 2.74Å; L343-R345 VanDerWaalsContact O-N 3.11Å |
| 346 | I | 96.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -104.6 | 138.9 | -175 | -59.4 | 173.1 | 0 | 0 | 0 | 108.9 | P309 L310 L313 L343 L344 S350 K394 | P309-I346 HydrophobicContact CB-CG1 4.07Å; L310-I346 HydrophobicContact CD2-CD1 4.31Å; L310-I346 HydrophobicContact CD2-CG2 4.23Å; L313-I346 HydrophobicContact CB-CD1 3.9Å; L313-I346 HydrophobicContact CD2-CD1 3.34Å; L313-I346 HydrophobicContact CG-CD1 4.1Å; L343-I346 HydrophobicContact CD2-CD1 4.42Å; L343-I346 PolarHBondContact O-N 3.22Å; L344-I346 VanDerWaalsContact C-N 3.34Å; I346-S350 WeakPolarHBondContact CG2-OG 3.3Å; I346-K394 HydrophobicContact CB-CD 4.33Å; I346-K394 HydrophobicContact CB-CG 4.47Å; I346-K394 HydrophobicContact CG2-CB 4.36Å; I346-K394 HydrophobicContact CG2-CD 4.37Å; I346-K394 HydrophobicContact CG2-CG 4.44Å; I346-K394 WeakPolarHBondContact O-CD 3.34Å; I346-K394 VanDerWaalsContact O-CE 3.25Å; I346-K394 WeakPolarHBondContact O-CE 3.21Å; I346-K394 PolarHBondContact O-NZ 3.44Å |
| 347 | E | 96.5 | Very high | 96.2 | Very high | 153 Ų | 153 | 61.1 Ų | 61.1 | 72% | 0.715 | 29% | 0.294 | S | S | * | . | trans | -70.7 | 153.1 | 176 | -170.8 | 177.4 | 179.2 | 0 | 0 | 111.1 | S350 | E347-S350 PolarHBondContact N-OG 3.19Å; E347-S350 PolarHBondContact O-N 3.09Å; E347-S350 PolarHBondContact O-OG 2.92Å | ||
| 348 | D | 96.4 | Very high | 95.9 | Very high | 89 Ų | 89 | 61.1 Ų | 61.1 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 139 | 175.6 | -75.1 | -0.2 | 0 | 0 | 0 | 110.8 | S350 K394 | D348-S350 PolarHBondContact O-N 3.13Å; D348-K394 WeakPolarHBondContact OD1-CD 3.5Å; D348-K394 WeakPolarHBondContact OD1-CE 3.17Å; D348-K394 IonicContact OD1-NZ 3.01Å; D348-K394 PolarHBondContact OD1-NZ 2.92Å |
| 349 | S | 94.8 | Very high | 95.7 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 19 | -177.6 | -49 | 0 | 0 | 0 | 0 | 116.2 | N393 K394 L395 K400 | S349-N393 PolarHBondContact N-O 3.3Å; S349-K394 CarbonylContact C-O 3.55Å; S349-K394 VanDerWaalsContact CA-O 3.27Å; S349-K394 WeakPolarHBondContact CA-O 3.36Å; S349-K394 PolarHBondContact N-O 2.97Å; S349-L395 WeakPolarHBondContact CA-O 3.31Å; S349-K400 PolarHBondContact OG-NZ 3.23Å; S349-K400 VanDerWaalsContact OG-NZ 3.15Å |
| 350 | S | 95.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 68.7 Ų | 68.7 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | trans | -95.5 | -12.9 | 176.7 | 73.1 | 0 | 0 | 0 | 0 | 114.4 | I346 E347 D348 L352 K394 | I346-S350 WeakPolarHBondContact CG2-OG 3.3Å; E347-S350 PolarHBondContact N-OG 3.19Å; E347-S350 PolarHBondContact O-N 3.09Å; E347-S350 PolarHBondContact O-OG 2.92Å; D348-S350 PolarHBondContact O-N 3.13Å; S350-L352 PolarHBondContact O-N 3.14Å; S350-K394 PolarHBondContact N-O 3.06Å; S350-K394 VanDerWaalsContact N-O 3.11Å | ||
| 351 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 104.1 | 178.3 | -178.1 | 64.8 | 0 | 0 | 0 | 109.9 | L310 L313 Y355 F361 Y391 K394 L395 D396 | L310-L351 HydrophobicContact CD2-CD1 3.72Å; L313-L351 HydrophobicContact CD2-CD1 3.99Å; L313-L351 HydrophobicContact CD2-CD2 4.05Å; L351-Y355 HydrophobicContact CD1-CD1 4.33Å; L351-Y355 HydrophobicContact CD1-CD2 3.68Å; L351-Y355 HydrophobicContact CD1-CE2 4.18Å; L351-Y355 HydrophobicContact CD1-CG 3.76Å; L351-F361 HydrophobicContact CD1-CE1 3.98Å; L351-F361 HydrophobicContact CD2-CD1 4.3Å; L351-F361 HydrophobicContact CD2-CE1 4.13Å; L351-Y391 HydrophobicContact CD2-CE2 3.77Å; L351-K394 HydrophobicContact CB-CB 4.3Å; L351-K394 VanDerWaalsContact CB-O 3.27Å; L351-K394 WeakPolarHBondContact CB-O 3.31Å; L351-K394 PolarHBondContact N-O 3.26Å; L351-L395 HydrophobicContact CB-CD2 4.35Å; L351-L395 HydrophobicContact CD2-CD2 3.71Å; L351-L395 HydrophobicContact CD2-CG 4.21Å; L351-L395 HydrophobicContact CG-CD2 3.89Å; L351-L395 CarbonylContact O-C 3.58Å; L351-L395 WeakPolarHBondContact O-CA 3.5Å; L351-D396 PolarHBondContact O-N 3.46Å |
| 352 | L | 96.6 | Very high | 95.4 | Very high | 82 Ų | 82 | 65.3 Ų | 65.3 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | trans | -69.2 | 150.3 | -172.3 | -57.1 | 174.8 | 0 | 0 | 0 | 113.3 | S350 Q354 Y355 D396 | S350-L352 PolarHBondContact O-N 3.14Å; L352-Q354 PolarHBondContact O-N 3.06Å; L352-Q354 VanDerWaalsContact O-N 3.09Å; L352-Y355 HydrophobicContact CB-CD2 4.28Å; L352-Y355 WeakPolarHBondContact O-CB 3.43Å; L352-Y355 WeakPolarHBondContact O-CD2 3.41Å; L352-Y355 PolarHBondContact O-N 3.46Å; L352-Y355 VanDerWaalsContact O-N 3.13Å; L352-D396 WeakPolarHBondContact CA-OD2 3.3Å | ||
| 353 | Y | 95.3 | Very high | 95.5 | Very high | 77 Ų | 77 | 66 Ų | 66 | 30% | 0.302 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -57.2 | -27.9 | -179.2 | 81.6 | -90.6 | 0 | 0 | 0 | 114.3 | Y355 L356 D396 Q398 | Y353-Y355 PolarHBondContact O-N 3.09Å; Y353-Y355 VanDerWaalsContact O-N 3.14Å; Y353-L356 WeakPolarHBondContact O-CB 3.43Å; Y353-L356 PolarHBondContact O-N 2.89Å; Y353-D396 PolarHBondContact N-OD1 3.35Å; Y353-D396 PolarHBondContact N-OD2 3Å; Y353-D396 VanDerWaalsContact N-OD2 3.13Å; Y353-Q398 HydrophobicContact CD1-CB 4.26Å; Y353-Q398 HydrophobicContact CD1-CG 4.17Å; Y353-Q398 HydrophobicContact CD2-CG 4.44Å; Y353-Q398 HydrophobicContact CG-CB 4.26Å; Y353-Q398 HydrophobicContact CG-CG 3.9Å |
| 354 | Q | 96.5 | Very high | 95.5 | Very high | 79 Ų | 79 | 66 Ų | 66 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -61.8 | -24.3 | -178.8 | -58.7 | 98.5 | 1.1 | 0 | 0 | 112.3 | L352 L356 E357 | L352-Q354 PolarHBondContact O-N 3.06Å; L352-Q354 VanDerWaalsContact O-N 3.09Å; Q354-L356 PolarHBondContact O-N 2.95Å; Q354-E357 WeakPolarHBondContact O-CB 3.32Å; Q354-E357 WeakPolarHBondContact O-CG 3.38Å; Q354-E357 PolarHBondContact O-N 2.77Å; Q354-E357 VanDerWaalsContact O-N 3.15Å |
| 355 | Y | 95.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 19% | 0.188 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -64 | -26.6 | 175.3 | -77.4 | -85.3 | 0 | 0 | 0 | 112.7 | Q314 L351 L352 Y353 E357 I358 F361 | Q314-Y355 HydrophobicContact CB-CE1 4.12Å; Q314-Y355 HydrophobicContact CG-CD1 4.46Å; Q314-Y355 HydrophobicContact CG-CE1 4.23Å; L351-Y355 HydrophobicContact CD1-CD1 4.33Å; L351-Y355 HydrophobicContact CD1-CD2 3.68Å; L351-Y355 HydrophobicContact CD1-CE2 4.18Å; L351-Y355 HydrophobicContact CD1-CG 3.76Å; L352-Y355 HydrophobicContact CB-CD2 4.28Å; L352-Y355 WeakPolarHBondContact O-CB 3.43Å; L352-Y355 WeakPolarHBondContact O-CD2 3.41Å; L352-Y355 PolarHBondContact O-N 3.46Å; L352-Y355 VanDerWaalsContact O-N 3.13Å; Y353-Y355 PolarHBondContact O-N 3.09Å; Y353-Y355 VanDerWaalsContact O-N 3.14Å; Y355-E357 PolarHBondContact O-N 3.15Å; Y355-I358 HydrophobicContact CD1-CD1 4.26Å; Y355-I358 WeakPolarHBondContact O-CB 3.34Å; Y355-I358 PolarHBondContact O-N 3.4Å; Y355-F361 AromaticContact CD1-CE1 3.93Å; Y355-F361 HydrophobicContact CD1-CE1 3.93Å; Y355-F361 HydrophobicContact CD1-CE2 4.18Å; Y355-F361 AromaticContact CD1-CZ 3.63Å; Y355-F361 HydrophobicContact CD1-CZ 3.63Å; Y355-F361 HydrophobicContact CE1-CZ 4.45Å; Y355-F361 HydrophobicContact CG-CE1 4.13Å; Y355-F361 HydrophobicContact CG-CZ 4.28Å; Y355-F361 VanDerWaalsContact O-CB 3.3Å; Y355-F361 WeakPolarHBondContact O-CB 3.45Å; Y355-F361 VanDerWaalsContact O-CG 3.31Å; Y355-F361 WeakPolarHBondContact O-CG 3.48Å |
| 356 | L | 95.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -68.4 | -13.3 | 176.7 | -57.9 | -177.1 | 0 | 0 | 0 | 113.2 | Y353 Q354 I358 F361 L362 L395 G399 T402 | Y353-L356 WeakPolarHBondContact O-CB 3.43Å; Y353-L356 PolarHBondContact O-N 2.89Å; Q354-L356 PolarHBondContact O-N 2.95Å; L356-I358 PolarHBondContact O-N 3.48Å; L356-F361 HydrophobicContact CD2-CB 4.07Å; L356-L362 HydrophobicContact CB-CD2 4.35Å; L356-L362 HydrophobicContact CB-CG 4.44Å; L356-L362 HydrophobicContact CD2-CD2 4.18Å; L356-L395 HydrophobicContact CD2-CD2 3.94Å; L356-L395 HydrophobicContact CG-CD2 4.33Å; L356-G399 WeakPolarHBondContact CD1-O 3.08Å; L356-T402 HydrophobicContact CD1-CG2 3.86Å |
| 357 | E | 93.9 | Very high | 96 | Very high | 156 Ų | 156 | 54.3 Ų | 54.3 | 73% | 0.729 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -69.2 | -19.8 | 171.4 | -60.5 | 178.8 | -177 | 0 | 0 | 111.8 | Q354 Y355 | Q354-E357 WeakPolarHBondContact O-CB 3.32Å; Q354-E357 WeakPolarHBondContact O-CG 3.38Å; Q354-E357 PolarHBondContact O-N 2.77Å; Q354-E357 VanDerWaalsContact O-N 3.15Å; Y355-E357 PolarHBondContact O-N 3.15Å |
| 358 | I | 92.2 | Very high | 96.1 | Very high | 55 Ų | 55 | 47 Ų | 47 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -82.9 | 120.8 | 173.2 | -53 | 172.4 | 0 | 0 | 0 | 108.1 | Q314 Y355 L356 S360 F361 | Q314-I358 HydrophobicContact CG-CD1 3.65Å; Q314-I358 VanDerWaalsContact NE2-CD1 3.26Å; Y355-I358 HydrophobicContact CD1-CD1 4.26Å; Y355-I358 WeakPolarHBondContact O-CB 3.34Å; Y355-I358 PolarHBondContact O-N 3.4Å; L356-I358 PolarHBondContact O-N 3.48Å; I358-S360 VanDerWaalsContact C-N 3.26Å; I358-S360 PolarHBondContact O-N 3.32Å; I358-F361 HydrophobicContact CB-CD2 3.78Å; I358-F361 HydrophobicContact CB-CE2 4.33Å; I358-F361 HydrophobicContact CD1-CD2 4.29Å; I358-F361 HydrophobicContact CD1-CE2 4.02Å; I358-F361 HydrophobicContact CG2-CD2 4.02Å; I358-F361 HydrophobicContact CG2-CE2 4.4Å; I358-F361 WeakPolarHBondContact O-CB 3.36Å; I358-F361 PolarHBondContact O-N 2.9Å |
| 359 | K | 93 | Very high | 96.2 | Very high | 149 Ų | 149 | 43.3 Ų | 43.3 | 65% | 0.648 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -43.9 | -48.1 | -175.1 | 179.5 | -178.2 | 171.6 | -172.6 | 0 | 113.9 | F361 L362 T363 | K359-F361 PolarHBondContact O-N 3.46Å; K359-L362 PolarHBondContact O-N 3.23Å; K359-T363 HydrophobicContact CG-CG2 3.76Å; K359-T363 PolarHBondContact O-N 3.49Å; K359-T363 PolarHBondContact O-OG1 2.89Å |
| 360 | S | 94.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 47 Ų | 47 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -28.4 | -176.8 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | M317 I358 L362 T363 V364 | M317-S360 WeakPolarHBondContact CB-OG 3.35Å; I358-S360 VanDerWaalsContact C-N 3.26Å; I358-S360 PolarHBondContact O-N 3.32Å; S360-L362 PolarHBondContact O-N 3.21Å; S360-T363 WeakPolarHBondContact CA-OG1 3.46Å; S360-V364 WeakPolarHBondContact O-CB 3.46Å; S360-V364 WeakPolarHBondContact O-CG2 3.49Å; S360-V364 PolarHBondContact O-N 3.35Å |
| 361 | F | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.3 | -14.8 | 178.4 | -78.5 | -104.9 | 0 | 0 | 0 | 113.9 | L313 Q314 M317 L351 Y355 L356 I358 K359 P365 Y391 | L313-F361 HydrophobicContact CD2-CE1 3.87Å; L313-F361 HydrophobicContact CD2-CZ 4.29Å; L313-F361 HydrophobicContact CG-CE1 4.19Å; L313-F361 HydrophobicContact CG-CZ 4.17Å; Q314-F361 HydrophobicContact CB-CE2 4.43Å; Q314-F361 HydrophobicContact CB-CZ 4.28Å; Q314-F361 HydrophobicContact CG-CE2 4.24Å; M317-F361 HydrophobicContact CB-CD2 4.13Å; M317-F361 HydrophobicContact CB-CE2 3.87Å; M317-F361 HydrophobicContact CB-CZ 4.38Å; M317-F361 HydrophobicContact CE-CD1 3.62Å; M317-F361 HydrophobicContact CE-CE1 3.82Å; M317-F361 HydrophobicContact CE-CG 4Å; M317-F361 HydrophobicContact CE-CZ 4.4Å; M317-F361 HydrophobicContact CG-CD1 4.36Å; M317-F361 HydrophobicContact CG-CD2 3.94Å; M317-F361 HydrophobicContact CG-CE1 4.02Å; M317-F361 HydrophobicContact CG-CE2 3.6Å; M317-F361 HydrophobicContact CG-CG 4.33Å; M317-F361 HydrophobicContact CG-CZ 3.64Å; L351-F361 HydrophobicContact CD1-CE1 3.98Å; L351-F361 HydrophobicContact CD2-CD1 4.3Å; L351-F361 HydrophobicContact CD2-CE1 4.13Å; Y355-F361 AromaticContact CD1-CE1 3.93Å; Y355-F361 HydrophobicContact CD1-CE1 3.93Å; Y355-F361 HydrophobicContact CD1-CE2 4.18Å; Y355-F361 AromaticContact CD1-CZ 3.63Å; Y355-F361 HydrophobicContact CD1-CZ 3.63Å; Y355-F361 HydrophobicContact CE1-CZ 4.45Å; Y355-F361 HydrophobicContact CG-CE1 4.13Å; Y355-F361 HydrophobicContact CG-CZ 4.28Å; Y355-F361 VanDerWaalsContact O-CB 3.3Å; Y355-F361 WeakPolarHBondContact O-CB 3.45Å; Y355-F361 VanDerWaalsContact O-CG 3.31Å; Y355-F361 WeakPolarHBondContact O-CG 3.48Å; L356-F361 HydrophobicContact CD2-CB 4.07Å; I358-F361 HydrophobicContact CB-CD2 3.78Å; I358-F361 HydrophobicContact CB-CE2 4.33Å; I358-F361 HydrophobicContact CD1-CD2 4.29Å; I358-F361 HydrophobicContact CD1-CE2 4.02Å; I358-F361 HydrophobicContact CG2-CD2 4.02Å; I358-F361 HydrophobicContact CG2-CE2 4.4Å; I358-F361 WeakPolarHBondContact O-CB 3.36Å; I358-F361 PolarHBondContact O-N 2.9Å; K359-F361 PolarHBondContact O-N 3.46Å; F361-P365 WeakPolarHBondContact O-CD 3.15Å; F361-P365 WeakPolarHBondContact O-CG 3.5Å; F361-Y391 HydrophobicContact CD1-CE2 4.47Å; F361-Y391 VanDerWaalsContact CD1-OH 3.3Å; F361-Y391 WeakPolarHBondContact CD1-OH 3.3Å; F361-Y391 PolarHBondContact O-OH 2.96Å |
| 362 | L | 96.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -102.8 | -37.2 | 169.9 | -69.9 | 175.7 | 0 | 0 | 0 | 112 | L356 K359 S360 P365 Q366 L403 C406 | L356-L362 HydrophobicContact CB-CD2 4.35Å; L356-L362 HydrophobicContact CB-CG 4.44Å; L356-L362 HydrophobicContact CD2-CD2 4.18Å; K359-L362 PolarHBondContact O-N 3.23Å; S360-L362 PolarHBondContact O-N 3.21Å; L362-P365 WeakPolarHBondContact O-CD 3.44Å; L362-Q366 WeakPolarHBondContact O-CG 3.27Å; L362-Q366 PolarHBondContact O-N 3.3Å; L362-L403 HydrophobicContact CD2-CD1 4.22Å; L362-C406 HydrophobicContact CD2-CB 4.44Å |
| 363 | T | 96.7 | Very high | 96.3 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.8 | -28.4 | -178.9 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | E321 K359 S360 Q366 G367 | E321-T363 VanDerWaalsContact OE1-CB 3.25Å; E321-T363 WeakPolarHBondContact OE1-CB 3.48Å; E321-T363 PolarHBondContact OE1-OG1 3.48Å; E321-T363 PolarHBondContact OE2-OG1 2.89Å; K359-T363 HydrophobicContact CG-CG2 3.76Å; K359-T363 PolarHBondContact O-N 3.49Å; K359-T363 PolarHBondContact O-OG1 2.89Å; S360-T363 WeakPolarHBondContact CA-OG1 3.46Å; T363-Q366 PolarHBondContact O-N 3.48Å; T363-G367 PolarHBondContact O-N 3.41Å |
| 364 | V | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -51.6 | 173.4 | 165 | 0 | 0 | 0 | 0 | 111.3 | M317 I320 E321 L324 L339 S360 Q366 G367 L368 | M317-V364 WeakPolarHBondContact O-CG2 3.45Å; M317-V364 HydrophobicContact SD-CB 4.15Å; M317-V364 HydrophobicContact SD-CG1 4.07Å; M317-V364 HydrophobicContact SD-CG2 3.98Å; I320-V364 HydrophobicContact CB-CG2 4.28Å; I320-V364 HydrophobicContact CG2-CG1 3.8Å; I320-V364 HydrophobicContact CG2-CG2 4Å; E321-V364 HydrophobicContact CB-CG2 3.91Å; L324-V364 HydrophobicContact CD1-CG1 3.96Å; L339-V364 HydrophobicContact CD1-CG1 4.36Å; L339-V364 HydrophobicContact CD2-CG1 4.14Å; S360-V364 WeakPolarHBondContact O-CB 3.46Å; S360-V364 WeakPolarHBondContact O-CG2 3.49Å; S360-V364 PolarHBondContact O-N 3.35Å; V364-Q366 VanDerWaalsContact C-N 3.28Å; V364-Q366 PolarHBondContact O-N 2.95Å; V364-G367 CarbonylContact O-C 3.52Å; V364-G367 WeakPolarHBondContact O-CA 3.31Å; V364-G367 PolarHBondContact O-N 3.13Å; V364-L368 WeakPolarHBondContact O-CG 3.38Å; V364-L368 PolarHBondContact O-N 2.96Å |
| 365 | P | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.8 | -39.4 | 171.7 | -29.2 | 35.7 | 0 | 0 | 0 | 114.1 | F361 L362 L368 V369 L388 Y391 L403 L407 | F361-P365 WeakPolarHBondContact O-CD 3.15Å; F361-P365 WeakPolarHBondContact O-CG 3.5Å; L362-P365 WeakPolarHBondContact O-CD 3.44Å; P365-L368 WeakPolarHBondContact O-CB 3.4Å; P365-L368 PolarHBondContact O-N 3.33Å; P365-V369 WeakPolarHBondContact O-CG2 3.48Å; P365-V369 PolarHBondContact O-N 3.09Å; P365-L388 HydrophobicContact CB-CD1 3.99Å; P365-Y391 HydrophobicContact CG-CD1 3.66Å; P365-Y391 HydrophobicContact CG-CE1 3.32Å; P365-L403 HydrophobicContact CB-CD1 3.85Å; P365-L403 HydrophobicContact CG-CD1 3.94Å; P365-L407 HydrophobicContact CB-CD2 4.46Å |
| 366 | Q | 97.5 | Very high | 96.3 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.8 | -37.9 | 174.1 | -68.2 | 172.7 | -6.6 | 0 | 0 | 112.1 | L362 T363 V364 L368 V369 K370 L407 | L362-Q366 WeakPolarHBondContact O-CG 3.27Å; L362-Q366 PolarHBondContact O-N 3.3Å; T363-Q366 PolarHBondContact O-N 3.48Å; V364-Q366 VanDerWaalsContact C-N 3.28Å; V364-Q366 PolarHBondContact O-N 2.95Å; Q366-L368 VanDerWaalsContact C-N 3.34Å; Q366-V369 WeakPolarHBondContact O-CB 3.5Å; Q366-V369 PolarHBondContact O-N 3.19Å; Q366-K370 WeakPolarHBondContact O-CG 3.38Å; Q366-K370 PolarHBondContact O-N 3.02Å; Q366-L407 HydrophobicContact CG-CD2 4.13Å |
| 367 | G | 97.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | T363 V364 V369 K370 V371 | T363-G367 PolarHBondContact O-N 3.41Å; V364-G367 CarbonylContact O-C 3.52Å; V364-G367 WeakPolarHBondContact O-CA 3.31Å; V364-G367 PolarHBondContact O-N 3.13Å; G367-V369 VanDerWaalsContact C-N 3.35Å; G367-V369 PolarHBondContact O-N 2.99Å; G367-K370 WeakPolarHBondContact O-CB 3.47Å; G367-K370 PolarHBondContact O-N 3.44Å; G367-V371 WeakPolarHBondContact O-CG2 3.43Å; G367-V371 PolarHBondContact O-N 3.34Å |
| 368 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 173.3 | -64.8 | 175.4 | 0 | 0 | 0 | 111.2 | L324 L336 L339 V364 P365 Q366 K370 V371 M372 S384 M387 L388 | L324-L368 HydrophobicContact CD1-CD2 3.74Å; L324-L368 HydrophobicContact CD1-CG 4.03Å; L324-L368 HydrophobicContact CD2-CD2 4.26Å; L336-L368 HydrophobicContact CD2-CD2 3.41Å; L336-L368 VanDerWaalsContact CD2-CD2 3.41Å; L339-L368 HydrophobicContact CD2-CD1 3.84Å; L339-L368 HydrophobicContact CD2-CD2 3.95Å; L339-L368 HydrophobicContact CD2-CG 4.33Å; V364-L368 WeakPolarHBondContact O-CG 3.38Å; V364-L368 PolarHBondContact O-N 2.96Å; P365-L368 WeakPolarHBondContact O-CB 3.4Å; P365-L368 PolarHBondContact O-N 3.33Å; Q366-L368 VanDerWaalsContact C-N 3.34Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.19Å; L368-V371 PolarHBondContact O-N 3.33Å; L368-V371 VanDerWaalsContact O-N 3.16Å; L368-M372 WeakPolarHBondContact O-CB 3.45Å; L368-M372 WeakPolarHBondContact O-CG 3.36Å; L368-M372 PolarHBondContact O-N 3.34Å; L368-S384 WeakPolarHBondContact CA-OG 3.25Å; L368-S384 WeakPolarHBondContact CB-OG 3.38Å; L368-S384 WeakPolarHBondContact CD2-OG 3.2Å; L368-S384 PolarHBondContact O-OG 3.4Å; L368-M387 HydrophobicContact CD1-CB 4.2Å; L368-M387 HydrophobicContact CD2-CB 4.18Å; L368-L388 HydrophobicContact CD1-CB 4.06Å; L368-L388 HydrophobicContact CD1-CD1 4.39Å |
| 369 | V | 98.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 175 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | P365 Q366 G367 V371 M372 T373 L388 L407 V416 | P365-V369 WeakPolarHBondContact O-CG2 3.48Å; P365-V369 PolarHBondContact O-N 3.09Å; Q366-V369 WeakPolarHBondContact O-CB 3.5Å; Q366-V369 PolarHBondContact O-N 3.19Å; G367-V369 VanDerWaalsContact C-N 3.35Å; G367-V369 PolarHBondContact O-N 2.99Å; V369-V371 PolarHBondContact O-N 2.95Å; V369-M372 WeakPolarHBondContact O-CB 3.37Å; V369-M372 PolarHBondContact O-N 3.28Å; V369-T373 PolarHBondContact O-N 3.46Å; V369-T373 VanDerWaalsContact O-N 3.07Å; V369-T373 PolarHBondContact O-OG1 2.9Å; V369-T373 VanDerWaalsContact O-OG1 3.04Å; V369-L388 HydrophobicContact CG2-CD2 4.12Å; V369-L407 HydrophobicContact CG2-CD2 4.26Å; V369-V416 HydrophobicContact CG1-CG1 4.14Å; V369-V416 HydrophobicContact CG1-CG2 4.28Å; V369-V416 HydrophobicContact CG2-CG1 3.92Å |
| 370 | K | 97.4 | Very high | 97 | Very high | 134 Ų | 134 | 42 Ų | 42 | 58% | 0.583 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.5 | -43.8 | 175 | -71.7 | 178.1 | 178.7 | -178 | 0 | 112.3 | Q366 G367 L368 M372 T373 L374 | Q366-K370 WeakPolarHBondContact O-CG 3.38Å; Q366-K370 PolarHBondContact O-N 3.02Å; G367-K370 WeakPolarHBondContact O-CB 3.47Å; G367-K370 PolarHBondContact O-N 3.44Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.19Å; K370-M372 VanDerWaalsContact C-N 3.35Å; K370-T373 PolarHBondContact O-N 3.34Å; K370-L374 HydrophobicContact CB-CD1 4.49Å; K370-L374 WeakPolarHBondContact O-CA 3.3Å; K370-L374 VanDerWaalsContact O-CB 3.25Å; K370-L374 WeakPolarHBondContact O-CB 3.41Å; K370-L374 WeakPolarHBondContact O-CG 3.34Å; K370-L374 PolarHBondContact O-N 3.4Å |
| 371 | V | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.8 | 174 | 0 | 0 | 0 | 0 | 110.4 | L324 I332 G367 L368 V369 T373 C375 R381 | L324-V371 HydrophobicContact CD2-CG2 4.25Å; I332-V371 HydrophobicContact CG2-CG1 3.87Å; I332-V371 HydrophobicContact CG2-CG2 3.94Å; G367-V371 WeakPolarHBondContact O-CG2 3.43Å; G367-V371 PolarHBondContact O-N 3.34Å; L368-V371 PolarHBondContact O-N 3.33Å; L368-V371 VanDerWaalsContact O-N 3.16Å; V369-V371 PolarHBondContact O-N 2.95Å; V371-T373 VanDerWaalsContact C-N 3.25Å; V371-T373 PolarHBondContact O-N 2.86Å; V371-C375 HydrophobicContact CG1-CB 3.93Å; V371-C375 WeakPolarHBondContact O-CB 3.36Å; V371-C375 PolarHBondContact O-N 3.27Å; V371-C375 VanDerWaalsContact O-N 3.17Å; V371-R381 WeakPolarHBondContact O-CG 3.19Å |
| 372 | M | 96.9 | Very high | 97.2 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -30.3 | 179.8 | -70.4 | 163.3 | 56.1 | 0 | 0 | 113.7 | L368 V369 K370 R381 L385 L388 V416 | L368-M372 WeakPolarHBondContact O-CB 3.45Å; L368-M372 WeakPolarHBondContact O-CG 3.36Å; L368-M372 PolarHBondContact O-N 3.34Å; V369-M372 WeakPolarHBondContact O-CB 3.37Å; V369-M372 PolarHBondContact O-N 3.28Å; K370-M372 VanDerWaalsContact C-N 3.35Å; M372-R381 WeakPolarHBondContact O-CD 3.19Å; M372-L385 HydrophobicContact CE-CB 3.86Å; M372-L385 HydrophobicContact CE-CD1 3.41Å; M372-L385 VanDerWaalsContact CE-CD1 3.41Å; M372-L385 HydrophobicContact CE-CG 4.17Å; M372-L385 HydrophobicContact CG-CB 4.17Å; M372-L385 VanDerWaalsContact SD-CA 3.59Å; M372-L385 HydrophobicContact SD-CB 4.1Å; M372-L385 HydrophobicContact SD-CD1 4.36Å; M372-L388 HydrophobicContact CE-CD2 4.33Å; M372-L388 HydrophobicContact SD-CB 4.33Å; M372-L388 HydrophobicContact SD-CD2 3.9Å; M372-V416 HydrophobicContact CE-CG2 4.25Å |
| 373 | T | 95.2 | Very high | 97.3 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -105.5 | -32.8 | -174.3 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | V369 K370 V371 H413 V416 | V369-T373 PolarHBondContact O-N 3.46Å; V369-T373 VanDerWaalsContact O-N 3.07Å; V369-T373 PolarHBondContact O-OG1 2.9Å; V369-T373 VanDerWaalsContact O-OG1 3.04Å; K370-T373 PolarHBondContact O-N 3.34Å; V371-T373 VanDerWaalsContact C-N 3.25Å; V371-T373 PolarHBondContact O-N 2.86Å; T373-H413 HydrophobicContact CG2-CB 4.35Å; T373-H413 VanDerWaalsContact CG2-CD2 3.42Å; T373-H413 WeakPolarHBondContact CG2-CD2 3.02Å; T373-V416 HydrophobicContact CG2-CG2 3.92Å |
| 374 | L | 95.9 | Very high | 97.4 | Very high | 134 Ų | 134 | 50.8 Ų | 50.8 | 70% | 0.702 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -109.5 | -18.7 | -170.7 | -51 | 180 | 0 | 0 | 0 | 114.2 | K370 | K370-L374 HydrophobicContact CB-CD1 4.49Å; K370-L374 WeakPolarHBondContact O-CA 3.3Å; K370-L374 VanDerWaalsContact O-CB 3.25Å; K370-L374 WeakPolarHBondContact O-CB 3.41Å; K370-L374 WeakPolarHBondContact O-CG 3.34Å; K370-L374 PolarHBondContact O-N 3.4Å |
| 375 | C | 95.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | trans | -70.1 | 131 | -178.6 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | V371 I377 R381 | V371-C375 HydrophobicContact CG1-CB 3.93Å; V371-C375 WeakPolarHBondContact O-CB 3.36Å; V371-C375 PolarHBondContact O-N 3.27Å; V371-C375 VanDerWaalsContact O-N 3.17Å; C375-I377 PolarHBondContact O-N 3.1Å; C375-R381 HydrophobicContact CB-CG 4.12Å; C375-R381 VanDerWaalsContact O-CD 3.24Å; C375-R381 WeakPolarHBondContact O-CD 3.32Å; C375-R381 WeakPolarHBondContact O-CG 3.39Å; C375-R381 PolarHBondContact O-NH1 3.38Å | ||
| 376 | P | 96.6 | Very high | 97.4 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 68% | 0.675 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -67.2 | -24.7 | 179.7 | 25.9 | -33.7 | 0 | 0 | 0 | 112.8 | E378 R381 | P376-E378 PolarHBondContact O-N 2.53Å; P376-R381 PolarHBondContact O-NH1 3.03Å |
| 377 | I | 96.3 | Very high | 97.5 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | trans | -87.4 | 112.4 | -172.9 | -46.2 | -55.1 | 0 | 0 | 0 | 110.9 | E329 C375 T379 L380 R381 | E329-I377 HydrophobicContact CB-CG1 4.36Å; E329-I377 HydrophobicContact CG-CG1 4.05Å; C375-I377 PolarHBondContact O-N 3.1Å; I377-T379 VanDerWaalsContact C-N 3.34Å; I377-T379 WeakPolarHBondContact CG2-OG1 3.45Å; I377-T379 PolarHBondContact O-N 2.64Å; I377-L380 HydrophobicContact CB-CB 4.26Å; I377-L380 HydrophobicContact CB-CD1 4.15Å; I377-L380 HydrophobicContact CB-CG 4.09Å; I377-L380 HydrophobicContact CG1-CD1 4.41Å; I377-L380 HydrophobicContact CG2-CD1 4.49Å; I377-L380 HydrophobicContact CG2-CG 4.08Å; I377-L380 PolarHBondContact O-N 3.3Å; I377-R381 PolarHBondContact O-N 3.47Å | ||
| 378 | E | 96.9 | Very high | 97.5 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | -174.9 | -171.5 | -176.2 | 162 | 0 | 0 | 113.5 | P376 L380 R381 K382 | P376-E378 PolarHBondContact O-N 2.53Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 2.93Å; E378-R381 PolarHBondContact O-N 2.9Å; E378-K382 HydrophobicContact CG-CD 4.43Å; E378-K382 WeakPolarHBondContact O-CG 3.42Å; E378-K382 PolarHBondContact O-N 2.88Å; E378-K382 WeakPolarHBondContact OE1-CE 3.35Å; E378-K382 IonicContact OE1-NZ 3.66Å; E378-K382 PolarHBondContact OE1-NZ 3.01Å |
| 379 | T | 97.5 | Very high | 97.5 | Very high | 98 Ų | 98 | 56 Ų | 56 | 60% | 0.601 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 178 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | I377 K382 K383 | I377-T379 VanDerWaalsContact C-N 3.34Å; I377-T379 WeakPolarHBondContact CG2-OG1 3.45Å; I377-T379 PolarHBondContact O-N 2.64Å; T379-K382 PolarHBondContact O-N 3.41Å; T379-K383 WeakPolarHBondContact O-CB 3.38Å; T379-K383 PolarHBondContact O-N 3.3Å |
| 380 | L | 97.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 174.4 | -64 | -172.5 | 0 | 0 | 0 | 112.1 | E329 I332 L336 I377 E378 K382 K383 S384 | E329-L380 HydrophobicContact CB-CD1 4.37Å; E329-L380 HydrophobicContact CG-CD1 3.76Å; I332-L380 HydrophobicContact CB-CD1 4.16Å; I332-L380 HydrophobicContact CG2-CD1 4.04Å; L336-L380 HydrophobicContact CD1-CD2 4.17Å; I377-L380 HydrophobicContact CB-CB 4.26Å; I377-L380 HydrophobicContact CB-CD1 4.15Å; I377-L380 HydrophobicContact CB-CG 4.09Å; I377-L380 HydrophobicContact CG1-CD1 4.41Å; I377-L380 HydrophobicContact CG2-CD1 4.49Å; I377-L380 HydrophobicContact CG2-CG 4.08Å; I377-L380 PolarHBondContact O-N 3.3Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 2.93Å; L380-K382 PolarHBondContact O-N 2.81Å; L380-K383 PolarHBondContact O-N 3.11Å; L380-S384 VanDerWaalsContact O-CB 3.3Å; L380-S384 WeakPolarHBondContact O-CB 3.32Å; L380-S384 PolarHBondContact O-N 3.05Å |
| 381 | R | 98.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 173.5 | -65.6 | -163.2 | -62.8 | -85.8 | 3.4 | 111.4 | V371 M372 C375 P376 I377 E378 S384 L385 | V371-R381 WeakPolarHBondContact O-CG 3.19Å; M372-R381 WeakPolarHBondContact O-CD 3.19Å; C375-R381 HydrophobicContact CB-CG 4.12Å; C375-R381 VanDerWaalsContact O-CD 3.24Å; C375-R381 WeakPolarHBondContact O-CD 3.32Å; C375-R381 WeakPolarHBondContact O-CG 3.39Å; C375-R381 PolarHBondContact O-NH1 3.38Å; P376-R381 PolarHBondContact O-NH1 3.03Å; I377-R381 PolarHBondContact O-N 3.47Å; E378-R381 PolarHBondContact O-N 2.9Å; R381-S384 PolarHBondContact O-N 2.9Å; R381-L385 PolarHBondContact O-N 2.92Å; R381-L385 VanDerWaalsContact O-N 3.08Å |
| 382 | K | 98.3 | Very high | 97.7 | Very high | 129 Ų | 129 | 50.3 Ų | 50.3 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64 | -43.5 | 177.4 | -73.2 | 179.8 | -178.3 | 167.4 | 0 | 112.2 | E378 T379 L380 S384 L385 A386 | E378-K382 HydrophobicContact CG-CD 4.43Å; E378-K382 WeakPolarHBondContact O-CG 3.42Å; E378-K382 PolarHBondContact O-N 2.88Å; E378-K382 WeakPolarHBondContact OE1-CE 3.35Å; E378-K382 IonicContact OE1-NZ 3.66Å; E378-K382 PolarHBondContact OE1-NZ 3.01Å; T379-K382 PolarHBondContact O-N 3.41Å; L380-K382 PolarHBondContact O-N 2.81Å; K382-S384 VanDerWaalsContact C-N 3.34Å; K382-S384 PolarHBondContact O-N 2.86Å; K382-L385 PolarHBondContact O-N 3.2Å; K382-A386 PolarHBondContact O-N 3.33Å |
| 383 | K | 98.4 | Very high | 97.7 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 26% | 0.261 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.6 | -173.6 | 168.5 | -175.4 | 169.2 | 0 | 111.4 | L336 E340 T379 L380 L385 A386 M387 | L336-K383 HydrophobicContact CB-CD 4.19Å; L336-K383 HydrophobicContact CB-CG 4.41Å; L336-K383 HydrophobicContact CD1-CB 4.2Å; L336-K383 HydrophobicContact CD1-CD 4.3Å; L336-K383 HydrophobicContact CD1-CG 4.12Å; E340-K383 WeakPolarHBondContact OE2-CE 3.27Å; E340-K383 IonicContact OE2-NZ 3.5Å; E340-K383 PolarHBondContact OE2-NZ 3.21Å; T379-K383 WeakPolarHBondContact O-CB 3.38Å; T379-K383 PolarHBondContact O-N 3.3Å; L380-K383 PolarHBondContact O-N 3.11Å; K383-L385 PolarHBondContact O-N 3.26Å; K383-A386 WeakPolarHBondContact O-CB 3.42Å; K383-A386 PolarHBondContact O-N 3.15Å; K383-M387 WeakPolarHBondContact O-CG 3.33Å; K383-M387 PolarHBondContact O-N 3.26Å |
| 384 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.1 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | L368 L380 R381 K382 A386 M387 L388 | L368-S384 WeakPolarHBondContact CA-OG 3.25Å; L368-S384 WeakPolarHBondContact CB-OG 3.38Å; L368-S384 WeakPolarHBondContact CD2-OG 3.2Å; L368-S384 PolarHBondContact O-OG 3.4Å; L380-S384 VanDerWaalsContact O-CB 3.3Å; L380-S384 WeakPolarHBondContact O-CB 3.32Å; L380-S384 PolarHBondContact O-N 3.05Å; R381-S384 PolarHBondContact O-N 2.9Å; K382-S384 VanDerWaalsContact C-N 3.34Å; K382-S384 PolarHBondContact O-N 2.86Å; S384-A386 PolarHBondContact O-N 3.05Å; S384-M387 PolarHBondContact O-N 2.68Å; S384-L388 PolarHBondContact O-N 2.9Å |
| 385 | L | 98.4 | Very high | 98 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 36% | 0.356 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 172.7 | 174.2 | 62.7 | 0 | 0 | 0 | 111.9 | M372 R381 K382 K383 M387 L388 Q389 F419 | M372-L385 HydrophobicContact CE-CB 3.86Å; M372-L385 HydrophobicContact CE-CD1 3.41Å; M372-L385 VanDerWaalsContact CE-CD1 3.41Å; M372-L385 HydrophobicContact CE-CG 4.17Å; M372-L385 HydrophobicContact CG-CB 4.17Å; M372-L385 VanDerWaalsContact SD-CA 3.59Å; M372-L385 HydrophobicContact SD-CB 4.1Å; M372-L385 HydrophobicContact SD-CD1 4.36Å; R381-L385 PolarHBondContact O-N 2.92Å; R381-L385 VanDerWaalsContact O-N 3.08Å; K382-L385 PolarHBondContact O-N 3.2Å; K383-L385 PolarHBondContact O-N 3.26Å; L385-M387 VanDerWaalsContact C-N 3.32Å; L385-M387 PolarHBondContact O-N 3.46Å; L385-L388 PolarHBondContact O-N 3.15Å; L385-Q389 PolarHBondContact O-N 2.98Å; L385-F419 HydrophobicContact CD1-CD1 4.17Å; L385-F419 HydrophobicContact CD1-CD2 3.88Å; L385-F419 HydrophobicContact CD1-CE1 4.02Å; L385-F419 HydrophobicContact CD1-CE2 3.72Å; L385-F419 HydrophobicContact CD1-CG 4.1Å; L385-F419 HydrophobicContact CD1-CZ 3.78Å |
| 386 | A | 98.6 | Very high | 98 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K382 K383 S384 Q389 L390 | K382-A386 PolarHBondContact O-N 3.33Å; K383-A386 WeakPolarHBondContact O-CB 3.42Å; K383-A386 PolarHBondContact O-N 3.15Å; S384-A386 PolarHBondContact O-N 3.05Å; A386-Q389 PolarHBondContact O-N 2.9Å; A386-L390 WeakPolarHBondContact O-CB 3.45Å; A386-L390 PolarHBondContact O-N 3.35Å |
| 387 | M | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.6 | -37.8 | 176 | -70.5 | -55.1 | 101.3 | 0 | 0 | 112.6 | L336 L339 E340 L368 K383 S384 L385 L390 Y391 | L336-M387 HydrophobicContact CD2-CB 4.41Å; L336-M387 HydrophobicContact CD2-CG 4.11Å; L339-M387 HydrophobicContact CD2-CB 4.07Å; E340-M387 HydrophobicContact CB-CE 4.14Å; E340-M387 HydrophobicContact CB-SD 3.48Å; E340-M387 WeakPolarHBondContact CB-SD 3.48Å; E340-M387 HydrophobicContact CG-CE 3.83Å; E340-M387 HydrophobicContact CG-SD 3.87Å; E340-M387 WeakPolarHBondContact OE1-CE 3.37Å; L368-M387 HydrophobicContact CD1-CB 4.2Å; L368-M387 HydrophobicContact CD2-CB 4.18Å; K383-M387 WeakPolarHBondContact O-CG 3.33Å; K383-M387 PolarHBondContact O-N 3.26Å; S384-M387 PolarHBondContact O-N 2.68Å; L385-M387 VanDerWaalsContact C-N 3.32Å; L385-M387 PolarHBondContact O-N 3.46Å; M387-L390 HydrophobicContact CE-CD2 4.05Å; M387-L390 PolarHBondContact O-N 3.06Å; M387-L390 HydrophobicContact SD-CD2 4.17Å; M387-Y391 WeakPolarHBondContact O-CB 3.33Å; M387-Y391 PolarHBondContact O-N 2.67Å |
| 388 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 174.2 | -179.2 | 60.9 | 0 | 0 | 0 | 110.8 | P365 L368 V369 M372 S384 L385 Y391 I392 L407 F419 | P365-L388 HydrophobicContact CB-CD1 3.99Å; L368-L388 HydrophobicContact CD1-CB 4.06Å; L368-L388 HydrophobicContact CD1-CD1 4.39Å; V369-L388 HydrophobicContact CG2-CD2 4.12Å; M372-L388 HydrophobicContact CE-CD2 4.33Å; M372-L388 HydrophobicContact SD-CB 4.33Å; M372-L388 HydrophobicContact SD-CD2 3.9Å; S384-L388 PolarHBondContact O-N 2.9Å; L385-L388 PolarHBondContact O-N 3.15Å; L388-Y391 PolarHBondContact O-N 2.96Å; L388-I392 HydrophobicContact CD1-CD1 4.39Å; L388-I392 HydrophobicContact CG-CD1 4.11Å; L388-I392 VanDerWaalsContact O-CG1 3.27Å; L388-I392 WeakPolarHBondContact O-CG1 3.13Å; L388-I392 PolarHBondContact O-N 3.06Å; L388-L407 HydrophobicContact CD1-CD1 4.16Å; L388-F419 HydrophobicContact CD2-CD1 4.33Å; L388-F419 HydrophobicContact CD2-CE1 3.85Å; L388-F419 HydrophobicContact CG-CE1 4.15Å |
| 389 | Q | 98.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 23% | 0.229 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.9 | -173.1 | 61.2 | 62.7 | 0 | 0 | 111.8 | L385 A386 Y391 I392 N393 F419 N423 | L385-Q389 PolarHBondContact O-N 2.98Å; A386-Q389 PolarHBondContact O-N 2.9Å; Q389-Y391 VanDerWaalsContact C-N 3.33Å; Q389-Y391 PolarHBondContact O-N 3.18Å; Q389-I392 PolarHBondContact O-N 3.47Å; Q389-N393 PolarHBondContact NE2-OD1 3.33Å; Q389-N393 PolarHBondContact O-N 3.03Å; Q389-N393 PolarHBondContact O-ND2 3.5Å; Q389-N393 PolarHBondContact O-OD1 3.38Å; Q389-F419 HydrophobicContact CB-CZ 4.09Å; Q389-N423 PolarHBondContact NE2-OD1 3.48Å; Q389-N423 PolarHBondContact OE1-ND2 3.2Å; Q389-N423 PolarHBondContact OE1-OD1 3.44Å |
| 390 | L | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 15% | 0.152 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -45 | 176.7 | -177.1 | 62.4 | 0 | 0 | 0 | 110.9 | L343 L344 A386 M387 N393 K394 | L343-L390 HydrophobicContact CB-CD2 3.79Å; L343-L390 HydrophobicContact CB-CG 4.07Å; L343-L390 HydrophobicContact CD1-CB 4.47Å; L343-L390 HydrophobicContact CD1-CD2 4.17Å; L343-L390 HydrophobicContact CD1-CG 4.12Å; L344-L390 HydrophobicContact CD2-CD2 4.46Å; A386-L390 WeakPolarHBondContact O-CB 3.45Å; A386-L390 PolarHBondContact O-N 3.35Å; M387-L390 HydrophobicContact CE-CD2 4.05Å; M387-L390 PolarHBondContact O-N 3.06Å; M387-L390 HydrophobicContact SD-CD2 4.17Å; L390-N393 WeakPolarHBondContact O-CB 3.47Å; L390-N393 PolarHBondContact O-N 3.37Å; L390-K394 WeakPolarHBondContact O-CG 3.43Å; L390-K394 PolarHBondContact O-N 2.83Å |
| 391 | Y | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 176.9 | -174.9 | -107.6 | 0 | 0 | 0 | 112.4 | M317 L343 L351 F361 P365 M387 L388 Q389 N393 K394 L395 L403 | M317-Y391 HydrophobicContact CE-CD2 4.07Å; M317-Y391 HydrophobicContact CE-CE2 3.25Å; L343-Y391 HydrophobicContact CD1-CD2 4.14Å; L343-Y391 HydrophobicContact CD2-CD2 3.89Å; L351-Y391 HydrophobicContact CD2-CE2 3.77Å; F361-Y391 HydrophobicContact CD1-CE2 4.47Å; F361-Y391 VanDerWaalsContact CD1-OH 3.3Å; F361-Y391 WeakPolarHBondContact CD1-OH 3.3Å; F361-Y391 PolarHBondContact O-OH 2.96Å; P365-Y391 HydrophobicContact CG-CD1 3.66Å; P365-Y391 HydrophobicContact CG-CE1 3.32Å; M387-Y391 WeakPolarHBondContact O-CB 3.33Å; M387-Y391 PolarHBondContact O-N 2.67Å; L388-Y391 PolarHBondContact O-N 2.96Å; Q389-Y391 VanDerWaalsContact C-N 3.33Å; Q389-Y391 PolarHBondContact O-N 3.18Å; Y391-N393 VanDerWaalsContact C-N 3.26Å; Y391-N393 PolarHBondContact O-N 3.08Å; Y391-K394 PolarHBondContact O-N 3.46Å; Y391-K394 VanDerWaalsContact O-N 3.13Å; Y391-L395 HydrophobicContact CD1-CD1 4.07Å; Y391-L395 HydrophobicContact CE1-CD1 3.7Å; Y391-L395 HydrophobicContact CE1-CG 4.32Å; Y391-L395 PolarHBondContact O-N 2.89Å; Y391-L403 HydrophobicContact CD1-CD2 3.83Å; Y391-L403 HydrophobicContact CE1-CD2 3.87Å |
| 392 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.8 | -43.9 | 174.5 | -70.7 | 163.6 | 0 | 0 | 0 | 110.3 | L388 Q389 K394 L395 K400 L403 F404 F419 I420 | L388-I392 HydrophobicContact CD1-CD1 4.39Å; L388-I392 HydrophobicContact CG-CD1 4.11Å; L388-I392 VanDerWaalsContact O-CG1 3.27Å; L388-I392 WeakPolarHBondContact O-CG1 3.13Å; L388-I392 PolarHBondContact O-N 3.06Å; Q389-I392 PolarHBondContact O-N 3.47Å; I392-K394 VanDerWaalsContact C-N 3.28Å; I392-K394 PolarHBondContact O-N 3.05Å; I392-L395 PolarHBondContact O-N 3.29Å; I392-K400 HydrophobicContact CG2-CD 4.37Å; I392-K400 HydrophobicContact CG2-CG 4.33Å; I392-K400 WeakPolarHBondContact O-CE 3.45Å; I392-K400 WeakPolarHBondContact O-CG 3.3Å; I392-L403 HydrophobicContact CG1-CD2 3.97Å; I392-F404 HydrophobicContact CD1-CE1 3.98Å; I392-F404 HydrophobicContact CG1-CE1 4.02Å; I392-F404 HydrophobicContact CG2-CE1 3.76Å; I392-F404 HydrophobicContact CG2-CZ 3.76Å; I392-F419 HydrophobicContact CD1-CE1 3.98Å; I392-F419 HydrophobicContact CD1-CZ 4.36Å; I392-I420 HydrophobicContact CD1-CD1 4.31Å |
| 393 | N | 98.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 24.1 Ų | 24.1 | 28% | 0.283 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.9 | -34 | -179.6 | -64.3 | -11.1 | 0 | 0 | 0 | 112.6 | S349 Q389 L390 Y391 | S349-N393 PolarHBondContact N-O 3.3Å; Q389-N393 PolarHBondContact NE2-OD1 3.33Å; Q389-N393 PolarHBondContact O-N 3.03Å; Q389-N393 PolarHBondContact O-ND2 3.5Å; Q389-N393 PolarHBondContact O-OD1 3.38Å; L390-N393 WeakPolarHBondContact O-CB 3.47Å; L390-N393 PolarHBondContact O-N 3.37Å; Y391-N393 VanDerWaalsContact C-N 3.26Å; Y391-N393 PolarHBondContact O-N 3.08Å |
| 394 | K | 98.1 | Very high | 97.9 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 7% | 0.074 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.3 | -32 | 179.5 | -59.1 | -43.5 | 174.2 | 179.7 | 0 | 113.5 | L343 I346 D348 S349 S350 L351 L390 Y391 I392 | L343-K394 HydrophobicContact CB-CG 4.45Å; L343-K394 HydrophobicContact CD2-CG 4.08Å; L343-K394 VanDerWaalsContact O-CE 3.26Å; L343-K394 WeakPolarHBondContact O-CE 3.38Å; I346-K394 HydrophobicContact CB-CD 4.33Å; I346-K394 HydrophobicContact CB-CG 4.47Å; I346-K394 HydrophobicContact CG2-CB 4.36Å; I346-K394 HydrophobicContact CG2-CD 4.37Å; I346-K394 HydrophobicContact CG2-CG 4.44Å; I346-K394 WeakPolarHBondContact O-CD 3.34Å; I346-K394 VanDerWaalsContact O-CE 3.25Å; I346-K394 WeakPolarHBondContact O-CE 3.21Å; I346-K394 PolarHBondContact O-NZ 3.44Å; D348-K394 WeakPolarHBondContact OD1-CD 3.5Å; D348-K394 WeakPolarHBondContact OD1-CE 3.17Å; D348-K394 IonicContact OD1-NZ 3.01Å; D348-K394 PolarHBondContact OD1-NZ 2.92Å; S349-K394 CarbonylContact C-O 3.55Å; S349-K394 VanDerWaalsContact CA-O 3.27Å; S349-K394 WeakPolarHBondContact CA-O 3.36Å; S349-K394 PolarHBondContact N-O 2.97Å; S350-K394 PolarHBondContact N-O 3.06Å; S350-K394 VanDerWaalsContact N-O 3.11Å; L351-K394 HydrophobicContact CB-CB 4.3Å; L351-K394 VanDerWaalsContact CB-O 3.27Å; L351-K394 WeakPolarHBondContact CB-O 3.31Å; L351-K394 PolarHBondContact N-O 3.26Å; L390-K394 WeakPolarHBondContact O-CG 3.43Å; L390-K394 PolarHBondContact O-N 2.83Å; Y391-K394 PolarHBondContact O-N 3.46Å; Y391-K394 VanDerWaalsContact O-N 3.13Å; I392-K394 VanDerWaalsContact C-N 3.28Å; I392-K394 PolarHBondContact O-N 3.05Å |
| 395 | L | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -63.7 | 142.4 | -179.8 | -75.6 | 167.5 | 0 | 0 | 0 | 112.5 | S349 L351 L356 Y391 I392 K400 L403 | S349-L395 WeakPolarHBondContact CA-O 3.31Å; L351-L395 HydrophobicContact CB-CD2 4.35Å; L351-L395 HydrophobicContact CD2-CD2 3.71Å; L351-L395 HydrophobicContact CD2-CG 4.21Å; L351-L395 HydrophobicContact CG-CD2 3.89Å; L351-L395 CarbonylContact O-C 3.58Å; L351-L395 WeakPolarHBondContact O-CA 3.5Å; L356-L395 HydrophobicContact CD2-CD2 3.94Å; L356-L395 HydrophobicContact CG-CD2 4.33Å; Y391-L395 HydrophobicContact CD1-CD1 4.07Å; Y391-L395 HydrophobicContact CE1-CD1 3.7Å; Y391-L395 HydrophobicContact CE1-CG 4.32Å; Y391-L395 PolarHBondContact O-N 2.89Å; I392-L395 PolarHBondContact O-N 3.29Å; L395-K400 HydrophobicContact CB-CG 3.88Å; L395-K400 WeakPolarHBondContact O-CE 3.46Å; L395-K400 PolarHBondContact O-NZ 3.36Å; L395-L403 HydrophobicContact CD1-CB 4.11Å; L395-L403 HydrophobicContact CD1-CD2 3.59Å; L395-L403 HydrophobicContact CD1-CG 4.45Å |
| 396 | D | 95.8 | Very high | 97.8 | Very high | 26 Ų | 26 | 25 Ų | 25 | 14% | 0.139 | 13% | 0.132 | C | C | . | . | trans | -63.5 | 172.9 | 166.4 | 73.7 | -2.4 | 0 | 0 | 0 | 111.1 | L351 L352 Y353 Q398 G399 K400 | L351-D396 PolarHBondContact O-N 3.46Å; L352-D396 WeakPolarHBondContact CA-OD2 3.3Å; Y353-D396 PolarHBondContact N-OD1 3.35Å; Y353-D396 PolarHBondContact N-OD2 3Å; Y353-D396 VanDerWaalsContact N-OD2 3.13Å; D396-Q398 PolarHBondContact O-N 3.07Å; D396-G399 PolarHBondContact O-N 2.94Å; D396-G399 WeakPolarHBondContact OD1-CA 3.43Å; D396-G399 PolarHBondContact OD1-N 3.43Å; D396-K400 WeakPolarHBondContact O-CG 3.46Å; D396-K400 PolarHBondContact O-N 3.02Å | ||
| 397 | S | 95 | Very high | 97.7 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 16% | 0.161 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | -173.3 | -172 | 0 | 0 | 0 | 0 | 113.4 | K400 Y401 N438 F441 | S397-K400 PolarHBondContact O-N 3.43Å; S397-Y401 PolarHBondContact O-N 3.07Å; S397-N438 WeakPolarHBondContact CB-OD1 3.43Å; S397-N438 PolarHBondContact OG-ND2 2.96Å; S397-N438 PolarHBondContact OG-OD1 3.07Å; S397-F441 WeakPolarHBondContact O-CE2 3.42Å; S397-F441 WeakPolarHBondContact OG-CD2 3.42Å; S397-F441 WeakPolarHBondContact OG-CE2 3.26Å |
| 398 | Q | 95.9 | Very high | 97.6 | Very high | 51 Ų | 51 | 22.6 Ų | 22.6 | 24% | 0.238 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.4 | -176 | 169.7 | -23.8 | 0 | 0 | 111.2 | Y353 D396 K400 Y401 T402 W440 | Y353-Q398 HydrophobicContact CD1-CB 4.26Å; Y353-Q398 HydrophobicContact CD1-CG 4.17Å; Y353-Q398 HydrophobicContact CD2-CG 4.44Å; Y353-Q398 HydrophobicContact CG-CB 4.26Å; Y353-Q398 HydrophobicContact CG-CG 3.9Å; D396-Q398 PolarHBondContact O-N 3.07Å; Q398-K400 VanDerWaalsContact C-N 3.35Å; Q398-K400 PolarHBondContact O-N 2.67Å; Q398-Y401 WeakPolarHBondContact O-CB 3.45Å; Q398-Y401 PolarHBondContact O-N 2.78Å; Q398-T402 PolarHBondContact O-N 3.16Å; Q398-T402 PolarHBondContact O-OG1 3.44Å; Q398-W440 HydrophobicContact CB-CD2 4.36Å; Q398-W440 HydrophobicContact CB-CG 4.38Å; Q398-W440 HydrophobicContact CB-CZ2 4.31Å; Q398-W440 HydrophobicContact CG-CD2 4.21Å; Q398-W440 HydrophobicContact CG-CH2 4.23Å; Q398-W440 HydrophobicContact CG-CZ2 3.55Å |
| 399 | G | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L356 D396 T402 L403 | L356-G399 WeakPolarHBondContact CD1-O 3.08Å; D396-G399 PolarHBondContact O-N 2.94Å; D396-G399 WeakPolarHBondContact OD1-CA 3.43Å; D396-G399 PolarHBondContact OD1-N 3.43Å; G399-T402 PolarHBondContact O-N 2.95Å; G399-L403 WeakPolarHBondContact O-CB 3.45Å; G399-L403 PolarHBondContact O-N 2.83Å |
| 400 | K | 98.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.022 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 172.3 | -70.3 | -177 | -174.9 | 82.7 | 0 | 111.3 | S349 I392 L395 D396 S397 Q398 T402 L403 F404 Q427 F441 | S349-K400 PolarHBondContact OG-NZ 3.23Å; S349-K400 VanDerWaalsContact OG-NZ 3.15Å; I392-K400 HydrophobicContact CG2-CD 4.37Å; I392-K400 HydrophobicContact CG2-CG 4.33Å; I392-K400 WeakPolarHBondContact O-CE 3.45Å; I392-K400 WeakPolarHBondContact O-CG 3.3Å; L395-K400 HydrophobicContact CB-CG 3.88Å; L395-K400 WeakPolarHBondContact O-CE 3.46Å; L395-K400 PolarHBondContact O-NZ 3.36Å; D396-K400 WeakPolarHBondContact O-CG 3.46Å; D396-K400 PolarHBondContact O-N 3.02Å; S397-K400 PolarHBondContact O-N 3.43Å; Q398-K400 VanDerWaalsContact C-N 3.35Å; Q398-K400 PolarHBondContact O-N 2.67Å; K400-T402 PolarHBondContact O-N 3.02Å; K400-L403 PolarHBondContact O-N 3.28Å; K400-F404 HydrophobicContact CB-CE2 3.94Å; K400-F404 HydrophobicContact CB-CZ 3.97Å; K400-F404 HydrophobicContact CG-CZ 4.44Å; K400-F404 WeakPolarHBondContact O-CB 3.48Å; K400-F404 WeakPolarHBondContact O-CD1 3.02Å; K400-F404 VanDerWaalsContact O-CD2 3.26Å; K400-F404 WeakPolarHBondContact O-CD2 3.49Å; K400-F404 WeakPolarHBondContact O-CG 3.38Å; K400-F404 PolarHBondContact O-N 3.38Å; K400-Q427 HydrophobicContact CD-CG 3.87Å; K400-Q427 VanDerWaalsContact CD-OE1 3.32Å; K400-F441 HydrophobicContact CB-CE2 4.32Å; K400-F441 HydrophobicContact CB-CZ 4.04Å |
| 401 | Y | 97.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.7 | -49.3 | 178.5 | 178.7 | -86.4 | 0 | 0 | 0 | 111.9 | S397 Q398 L403 F404 R405 W440 F441 Q445 L449 | S397-Y401 PolarHBondContact O-N 3.07Å; Q398-Y401 WeakPolarHBondContact O-CB 3.45Å; Q398-Y401 PolarHBondContact O-N 2.78Å; Y401-L403 PolarHBondContact O-N 3.22Å; Y401-F404 PolarHBondContact O-N 2.88Å; Y401-R405 WeakPolarHBondContact O-CB 3.49Å; Y401-R405 PolarHBondContact O-N 3.31Å; Y401-W440 AromaticContact CD1-CE3 3.81Å; Y401-W440 HydrophobicContact CD1-CE3 3.81Å; Y401-W440 HydrophobicContact CD1-CZ3 4.07Å; Y401-W440 HydrophobicContact CD2-CB 4.44Å; Y401-W440 HydrophobicContact CD2-CE3 4.3Å; Y401-W440 VanDerWaalsContact CD2-O 3.24Å; Y401-W440 WeakPolarHBondContact CD2-O 3.45Å; Y401-W440 HydrophobicContact CE1-CE3 4.09Å; Y401-W440 HydrophobicContact CE1-CZ3 4.11Å; Y401-W440 HydrophobicContact CG-CB 4.49Å; Y401-W440 AromaticContact CG-CE3 3.93Å; Y401-W440 HydrophobicContact CG-CE3 3.93Å; Y401-F441 HydrophobicContact CD2-CE1 4.4Å; Y401-Q445 HydrophobicContact CE2-CB 4.22Å; Y401-Q445 VanDerWaalsContact CE2-O 3.29Å; Y401-Q445 WeakPolarHBondContact CE2-O 3.48Å; Y401-Q445 PolarHBondContact OH-O 3.07Å; Y401-Q445 PolarHBondContact OH-OE1 2.93Å; Y401-L449 HydrophobicContact CD2-CD2 3.95Å; Y401-L449 HydrophobicContact CE2-CB 3.78Å; Y401-L449 HydrophobicContact CE2-CD1 4.41Å; Y401-L449 HydrophobicContact CE2-CD2 3.98Å; Y401-L449 HydrophobicContact CE2-CG 4.29Å |
| 402 | T | 97.5 | Very high | 96.3 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 33% | 0.325 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 177.9 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | L356 Q398 G399 K400 R405 C406 | L356-T402 HydrophobicContact CD1-CG2 3.86Å; Q398-T402 PolarHBondContact O-N 3.16Å; Q398-T402 PolarHBondContact O-OG1 3.44Å; G399-T402 PolarHBondContact O-N 2.95Å; K400-T402 PolarHBondContact O-N 3.02Å; T402-R405 PolarHBondContact O-N 3.28Å; T402-C406 WeakPolarHBondContact O-CB 3.24Å; T402-C406 PolarHBondContact O-N 3.48Å |
| 403 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 178.5 | -179.4 | 65.2 | 0 | 0 | 0 | 111.7 | L362 P365 Y391 I392 L395 G399 K400 Y401 R405 C406 L407 | L362-L403 HydrophobicContact CD2-CD1 4.22Å; P365-L403 HydrophobicContact CB-CD1 3.85Å; P365-L403 HydrophobicContact CG-CD1 3.94Å; Y391-L403 HydrophobicContact CD1-CD2 3.83Å; Y391-L403 HydrophobicContact CE1-CD2 3.87Å; I392-L403 HydrophobicContact CG1-CD2 3.97Å; L395-L403 HydrophobicContact CD1-CB 4.11Å; L395-L403 HydrophobicContact CD1-CD2 3.59Å; L395-L403 HydrophobicContact CD1-CG 4.45Å; G399-L403 WeakPolarHBondContact O-CB 3.45Å; G399-L403 PolarHBondContact O-N 2.83Å; K400-L403 PolarHBondContact O-N 3.28Å; Y401-L403 PolarHBondContact O-N 3.22Å; L403-R405 VanDerWaalsContact C-N 3.34Å; L403-R405 PolarHBondContact O-N 2.79Å; L403-C406 WeakPolarHBondContact O-CB 3.44Å; L403-C406 PolarHBondContact O-N 2.97Å; L403-C406 VanDerWaalsContact O-N 3.12Å; L403-L407 HydrophobicContact CD1-CD1 3.98Å; L403-L407 HydrophobicContact CD1-CG 4.01Å; L403-L407 HydrophobicContact CD2-CD1 4.4Å; L403-L407 HydrophobicContact CG-CD1 3.92Å; L403-L407 HydrophobicContact CG-CG 4.28Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 3.37Å |
| 404 | F | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 178.5 | -61.6 | -22.9 | 0 | 0 | 0 | 111.5 | I392 K400 Y401 C406 L407 L408 I420 N423 I424 Q427 F441 | I392-F404 HydrophobicContact CD1-CE1 3.98Å; I392-F404 HydrophobicContact CG1-CE1 4.02Å; I392-F404 HydrophobicContact CG2-CE1 3.76Å; I392-F404 HydrophobicContact CG2-CZ 3.76Å; K400-F404 HydrophobicContact CB-CE2 3.94Å; K400-F404 HydrophobicContact CB-CZ 3.97Å; K400-F404 HydrophobicContact CG-CZ 4.44Å; K400-F404 WeakPolarHBondContact O-CB 3.48Å; K400-F404 WeakPolarHBondContact O-CD1 3.02Å; K400-F404 VanDerWaalsContact O-CD2 3.26Å; K400-F404 WeakPolarHBondContact O-CD2 3.49Å; K400-F404 WeakPolarHBondContact O-CG 3.38Å; K400-F404 PolarHBondContact O-N 3.38Å; Y401-F404 PolarHBondContact O-N 2.88Å; F404-C406 VanDerWaalsContact C-N 3.26Å; F404-C406 PolarHBondContact O-N 3.27Å; F404-L407 PolarHBondContact O-N 3.45Å; F404-L408 WeakPolarHBondContact O-CB 3.48Å; F404-L408 WeakPolarHBondContact O-CG 3.38Å; F404-L408 PolarHBondContact O-N 3.12Å; F404-I420 HydrophobicContact CB-CG2 3.7Å; F404-I420 HydrophobicContact CD1-CD1 4.32Å; F404-I420 HydrophobicContact CD1-CG2 3.77Å; F404-I420 HydrophobicContact CG-CG2 3.87Å; F404-N423 HydrophobicContact CE1-CB 3.96Å; F404-N423 HydrophobicContact CE2-CB 4.46Å; F404-N423 HydrophobicContact CZ-CB 3.73Å; F404-I424 HydrophobicContact CB-CD1 4.23Å; F404-I424 HydrophobicContact CB-CG1 4.22Å; F404-I424 HydrophobicContact CD2-CD1 4.41Å; F404-I424 HydrophobicContact CD2-CG1 3.51Å; F404-I424 HydrophobicContact CE2-CG1 4.06Å; F404-I424 HydrophobicContact CG-CG1 4.02Å; F404-Q427 HydrophobicContact CE2-CG 3.96Å; F404-Q427 HydrophobicContact CZ-CG 4.37Å; F404-F441 AromaticContact CD2-CE1 3.75Å; F404-F441 HydrophobicContact CD2-CE1 3.75Å; F404-F441 AromaticContact CD2-CZ 3.83Å; F404-F441 HydrophobicContact CD2-CZ 3.83Å; F404-F441 AromaticContact CE2-CE1 3.78Å; F404-F441 HydrophobicContact CE2-CE1 3.78Å; F404-F441 AromaticContact CE2-CZ 3.66Å; F404-F441 HydrophobicContact CE2-CZ 3.66Å |
| 405 | R | 97.6 | Very high | 95.8 | Very high | 118 Ų | 118 | 37.1 Ų | 37.1 | 45% | 0.445 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59 | -39.4 | 174.7 | -168.7 | 172.7 | -170.8 | -77.9 | -2.7 | 111.9 | Y401 T402 L403 N409 L449 L452 | Y401-R405 WeakPolarHBondContact O-CB 3.49Å; Y401-R405 PolarHBondContact O-N 3.31Å; T402-R405 PolarHBondContact O-N 3.28Å; L403-R405 VanDerWaalsContact C-N 3.34Å; L403-R405 PolarHBondContact O-N 2.79Å; R405-N409 PolarHBondContact O-ND2 3.47Å; R405-L449 HydrophobicContact CB-CD1 4.31Å; R405-L452 HydrophobicContact CB-CD1 4.48Å; R405-L452 HydrophobicContact CG-CD1 3.57Å |
| 406 | C | 97.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.6 | -50.5 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | L362 T402 L403 F404 N409 T410 | L362-C406 HydrophobicContact CD2-CB 4.44Å; T402-C406 WeakPolarHBondContact O-CB 3.24Å; T402-C406 PolarHBondContact O-N 3.48Å; L403-C406 WeakPolarHBondContact O-CB 3.44Å; L403-C406 PolarHBondContact O-N 2.97Å; L403-C406 VanDerWaalsContact O-N 3.12Å; F404-C406 VanDerWaalsContact C-N 3.26Å; F404-C406 PolarHBondContact O-N 3.27Å; C406-N409 PolarHBondContact O-N 3.45Å; C406-T410 WeakPolarHBondContact O-CB 3.21Å; C406-T410 WeakPolarHBondContact O-CG2 3.24Å; C406-T410 PolarHBondContact O-N 3.48Å; C406-T410 VanDerWaalsContact O-N 3.1Å; C406-T410 PolarHBondContact O-OG1 3.01Å |
| 407 | L | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.7 | -36 | -174.7 | -67 | 179.6 | 0 | 0 | 0 | 113 | P365 Q366 V369 L388 L403 F404 N409 T410 S411 I420 | P365-L407 HydrophobicContact CB-CD2 4.46Å; Q366-L407 HydrophobicContact CG-CD2 4.13Å; V369-L407 HydrophobicContact CG2-CD2 4.26Å; L388-L407 HydrophobicContact CD1-CD1 4.16Å; L403-L407 HydrophobicContact CD1-CD1 3.98Å; L403-L407 HydrophobicContact CD1-CG 4.01Å; L403-L407 HydrophobicContact CD2-CD1 4.4Å; L403-L407 HydrophobicContact CG-CD1 3.92Å; L403-L407 HydrophobicContact CG-CG 4.28Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 3.37Å; F404-L407 PolarHBondContact O-N 3.45Å; L407-N409 PolarHBondContact O-N 3.5Å; L407-T410 PolarHBondContact O-N 3.04Å; L407-S411 VanDerWaalsContact O-CB 3.23Å; L407-S411 WeakPolarHBondContact O-CB 3.39Å; L407-S411 PolarHBondContact O-N 2.87Å; L407-S411 PolarHBondContact O-OG 2.65Å; L407-I420 HydrophobicContact CB-CD1 4.3Å; L407-I420 HydrophobicContact CB-CG1 4.15Å; L407-I420 HydrophobicContact CD1-CD1 3.7Å; L407-I420 HydrophobicContact CD1-CG1 4.42Å |
| 408 | L | 96.5 | Very high | 96 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -31.5 | 172.8 | -74 | 172.5 | 0 | 0 | 0 | 112.5 | F404 E417 I420 I421 I424 L449 L452 V453 | F404-L408 WeakPolarHBondContact O-CB 3.48Å; F404-L408 WeakPolarHBondContact O-CG 3.38Å; F404-L408 PolarHBondContact O-N 3.12Å; L408-E417 HydrophobicContact CD2-CB 4.05Å; L408-E417 HydrophobicContact CD2-CG 4.24Å; L408-I420 HydrophobicContact CD1-CG2 4.39Å; L408-I420 HydrophobicContact CD2-CB 4.27Å; L408-I420 HydrophobicContact CD2-CG2 4.16Å; L408-I420 HydrophobicContact CG-CG2 3.94Å; L408-I421 HydrophobicContact CD2-CG1 4.34Å; L408-I424 HydrophobicContact CD1-CD1 3.94Å; L408-L449 HydrophobicContact CD1-CD1 4.26Å; L408-L452 HydrophobicContact CD1-CB 4.32Å; L408-V453 HydrophobicContact CD1-CG2 3.75Å |
| 409 | N | 93.9 | Very high | 96.1 | Very high | 92 Ų | 92 | 35.8 Ų | 35.8 | 49% | 0.492 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -91.2 | -12.3 | -179.8 | -71.7 | -45.8 | 0 | 0 | 0 | 114.1 | R405 C406 L407 | R405-N409 PolarHBondContact O-ND2 3.47Å; C406-N409 PolarHBondContact O-N 3.45Å; L407-N409 PolarHBondContact O-N 3.5Å |
| 410 | T | 94 | Very high | 96.1 | Very high | 72 Ų | 72 | 35.8 Ų | 35.8 | 44% | 0.442 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -124 | -19.9 | -170.1 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | C406 L407 | C406-T410 WeakPolarHBondContact O-CB 3.21Å; C406-T410 WeakPolarHBondContact O-CG2 3.24Å; C406-T410 PolarHBondContact O-N 3.48Å; C406-T410 VanDerWaalsContact O-N 3.1Å; C406-T410 PolarHBondContact O-OG1 3.01Å; L407-T410 PolarHBondContact O-N 3.04Å |
| 411 | S | 89.5 | Confident | 96.2 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | trans | -75 | -34 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | L407 H413 E417 | L407-S411 VanDerWaalsContact O-CB 3.23Å; L407-S411 WeakPolarHBondContact O-CB 3.39Å; L407-S411 PolarHBondContact O-N 2.87Å; L407-S411 PolarHBondContact O-OG 2.65Å; S411-H413 PolarHBondContact O-N 2.93Å; S411-E417 WeakPolarHBondContact OG-CG 3.37Å | ||
| 412 | N | 89.9 | Confident | 96.2 | Very high | 149 Ų | 149 | 38.7 Ų | 38.7 | 80% | 0.797 | 21% | 0.208 | S | C | * | . | trans | 48.7 | 40.8 | -179.9 | -163.7 | 58.9 | 0 | 0 | 0 | 112.8 | E417 | N412-E417 PolarHBondContact N-OE1 3.34Š| ||
| 413 | H | 94.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 36.3 Ų | 36.3 | 37% | 0.366 | 19% | 0.193 | S | C | . | . | trans | -145.9 | 110.9 | -178.3 | -174.4 | -63.8 | 0 | 0 | 0 | 109.6 | T373 S411 G415 V416 E417 | T373-H413 HydrophobicContact CG2-CB 4.35Å; T373-H413 VanDerWaalsContact CG2-CD2 3.42Å; T373-H413 WeakPolarHBondContact CG2-CD2 3.02Å; S411-H413 PolarHBondContact O-N 2.93Å; H413-G415 VanDerWaalsContact C-N 3.32Å; H413-G415 PolarHBondContact ND1-N 2.9Å; H413-G415 PolarHBondContact O-N 2.92Å; H413-V416 HydrophobicContact CB-CB 4.28Å; H413-V416 HydrophobicContact CB-CG2 4.15Å; H413-V416 PolarHBondContact ND1-N 3.42Å; H413-V416 PolarHBondContact O-N 3.37Å; H413-E417 PolarHBondContact N-OE1 2.94Å; H413-E417 WeakPolarHBondContact O-CG 3.49Å; H413-E417 PolarHBondContact O-N 3Å | ||
| 414 | S | 94.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.2 | -42.3 | -172 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | V416 E417 A418 Q466 | S414-V416 PolarHBondContact O-N 3.23Å; S414-E417 PolarHBondContact O-N 3.48Å; S414-A418 VanDerWaalsContact O-CB 3.31Å; S414-A418 WeakPolarHBondContact O-CB 3.43Å; S414-A418 PolarHBondContact O-N 3.15Å; S414-Q466 WeakPolarHBondContact CB-O 3.18Å; S414-Q466 PolarHBondContact OG-O 2.84Å |
| 415 | G | 95.6 | Very high | 96.2 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 24% | 0.237 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -32.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | H413 F419 | H413-G415 VanDerWaalsContact C-N 3.32Å; H413-G415 PolarHBondContact ND1-N 2.9Å; H413-G415 PolarHBondContact O-N 2.92Å; G415-F419 PolarHBondContact O-N 3.47Å; G415-F419 VanDerWaalsContact O-N 3.15Å |
| 416 | V | 96.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.8 | -42.1 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | V369 M372 T373 H413 S414 A418 F419 I420 | V369-V416 HydrophobicContact CG1-CG1 4.14Å; V369-V416 HydrophobicContact CG1-CG2 4.28Å; V369-V416 HydrophobicContact CG2-CG1 3.92Å; M372-V416 HydrophobicContact CE-CG2 4.25Å; T373-V416 HydrophobicContact CG2-CG2 3.92Å; H413-V416 HydrophobicContact CB-CB 4.28Å; H413-V416 HydrophobicContact CB-CG2 4.15Å; H413-V416 PolarHBondContact ND1-N 3.42Å; H413-V416 PolarHBondContact O-N 3.37Å; S414-V416 PolarHBondContact O-N 3.23Å; V416-A418 VanDerWaalsContact C-N 3.32Å; V416-A418 PolarHBondContact O-N 2.77Å; V416-F419 WeakPolarHBondContact O-CA 3.47Å; V416-F419 WeakPolarHBondContact O-CB 3.34Å; V416-F419 PolarHBondContact O-N 3.29Å; V416-F419 VanDerWaalsContact O-N 3.12Å; V416-I420 WeakPolarHBondContact O-CG1 3.31Å; V416-I420 PolarHBondContact O-N 2.86Å |
| 417 | E | 97.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.9 | -66.3 | 167.4 | -166.4 | 0 | 0 | 111 | L408 S411 N412 H413 S414 F419 I420 I421 R470 | L408-E417 HydrophobicContact CD2-CB 4.05Å; L408-E417 HydrophobicContact CD2-CG 4.24Å; S411-E417 WeakPolarHBondContact OG-CG 3.37Å; N412-E417 PolarHBondContact N-OE1 3.34Å; H413-E417 PolarHBondContact N-OE1 2.94Å; H413-E417 WeakPolarHBondContact O-CG 3.49Å; H413-E417 PolarHBondContact O-N 3Å; S414-E417 PolarHBondContact O-N 3.48Å; E417-F419 VanDerWaalsContact C-N 3.31Å; E417-F419 PolarHBondContact O-N 2.92Å; E417-I420 PolarHBondContact O-N 3.11Å; E417-I420 VanDerWaalsContact O-N 3.1Å; E417-I421 VanDerWaalsContact O-CG1 3.24Å; E417-I421 WeakPolarHBondContact O-CG1 3.25Å; E417-I421 PolarHBondContact O-N 3.11Å; E417-R470 HydrophobicContact CB-CG 4.15Å; E417-R470 IonicContact OE1-NH1 3.5Å; E417-R470 WeakPolarHBondContact OE2-CD 3.42Å; E417-R470 IonicContact OE2-CZ 2.82Å; E417-R470 IonicContact OE2-NE 3.95Å; E417-R470 PolarHBondContact OE2-NE 3.01Å; E417-R470 IonicContact OE2-NH1 3.34Å; E417-R470 PolarHBondContact OE2-NH1 3.24Å |
| 418 | A | 98.1 | Very high | 96 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 13% | 0.132 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.3 | -42.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S414 V416 I421 Q422 D469 A473 | S414-A418 VanDerWaalsContact O-CB 3.31Å; S414-A418 WeakPolarHBondContact O-CB 3.43Å; S414-A418 PolarHBondContact O-N 3.15Å; V416-A418 VanDerWaalsContact C-N 3.32Å; V416-A418 PolarHBondContact O-N 2.77Å; A418-I421 PolarHBondContact O-N 3.28Å; A418-Q422 WeakPolarHBondContact O-CB 3.49Å; A418-Q422 PolarHBondContact O-N 3.04Å; A418-D469 HydrophobicContact CB-CB 4.11Å; A418-D469 WeakPolarHBondContact CB-O 3.47Å; A418-A473 HydrophobicContact CB-CB 3.78Å |
| 419 | F | 98.4 | Very high | 95.8 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 174.3 | 168.3 | -99.1 | 0 | 0 | 0 | 112.8 | L385 L388 Q389 I392 G415 V416 E417 Q422 N423 | L385-F419 HydrophobicContact CD1-CD1 4.17Å; L385-F419 HydrophobicContact CD1-CD2 3.88Å; L385-F419 HydrophobicContact CD1-CE1 4.02Å; L385-F419 HydrophobicContact CD1-CE2 3.72Å; L385-F419 HydrophobicContact CD1-CG 4.1Å; L385-F419 HydrophobicContact CD1-CZ 3.78Å; L388-F419 HydrophobicContact CD2-CD1 4.33Å; L388-F419 HydrophobicContact CD2-CE1 3.85Å; L388-F419 HydrophobicContact CG-CE1 4.15Å; Q389-F419 HydrophobicContact CB-CZ 4.09Å; I392-F419 HydrophobicContact CD1-CE1 3.98Å; I392-F419 HydrophobicContact CD1-CZ 4.36Å; G415-F419 PolarHBondContact O-N 3.47Å; G415-F419 VanDerWaalsContact O-N 3.15Å; V416-F419 WeakPolarHBondContact O-CA 3.47Å; V416-F419 WeakPolarHBondContact O-CB 3.34Å; V416-F419 PolarHBondContact O-N 3.29Å; V416-F419 VanDerWaalsContact O-N 3.12Å; E417-F419 VanDerWaalsContact C-N 3.31Å; E417-F419 PolarHBondContact O-N 2.92Å; F419-Q422 PolarHBondContact O-N 3.22Å; F419-N423 WeakPolarHBondContact CE2-ND2 3.5Å; F419-N423 VanDerWaalsContact CZ-ND2 3.31Å; F419-N423 WeakPolarHBondContact CZ-ND2 3.42Å; F419-N423 PolarHBondContact O-N 3.44Å; F419-N423 VanDerWaalsContact O-N 3.11Å; F419-N423 PolarHBondContact O-ND2 3.12Å; F419-N423 VanDerWaalsContact O-ND2 3.11Å |
| 420 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.7 | -43.1 | 174 | -61.6 | -55.2 | 0 | 0 | 0 | 110.9 | I392 F404 L407 L408 V416 E417 Q422 N423 I424 | I392-I420 HydrophobicContact CD1-CD1 4.31Å; F404-I420 HydrophobicContact CB-CG2 3.7Å; F404-I420 HydrophobicContact CD1-CD1 4.32Å; F404-I420 HydrophobicContact CD1-CG2 3.77Å; F404-I420 HydrophobicContact CG-CG2 3.87Å; L407-I420 HydrophobicContact CB-CD1 4.3Å; L407-I420 HydrophobicContact CB-CG1 4.15Å; L407-I420 HydrophobicContact CD1-CD1 3.7Å; L407-I420 HydrophobicContact CD1-CG1 4.42Å; L408-I420 HydrophobicContact CD1-CG2 4.39Å; L408-I420 HydrophobicContact CD2-CB 4.27Å; L408-I420 HydrophobicContact CD2-CG2 4.16Å; L408-I420 HydrophobicContact CG-CG2 3.94Å; V416-I420 WeakPolarHBondContact O-CG1 3.31Å; V416-I420 PolarHBondContact O-N 2.86Å; E417-I420 PolarHBondContact O-N 3.11Å; E417-I420 VanDerWaalsContact O-N 3.1Å; I420-Q422 VanDerWaalsContact C-N 3.29Å; I420-Q422 PolarHBondContact O-N 3.43Å; I420-N423 CarbonylContact O-C 3.56Å; I420-N423 WeakPolarHBondContact O-CA 3.21Å; I420-N423 WeakPolarHBondContact O-CB 3.31Å; I420-N423 PolarHBondContact O-N 2.94Å; I420-I424 HydrophobicContact CG2-CD1 4.1Å; I420-I424 HydrophobicContact CG2-CG1 4.46Å; I420-I424 WeakPolarHBondContact O-CG1 3.38Å; I420-I424 PolarHBondContact O-N 3.45Å |
| 421 | I | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 175.7 | -66.6 | 162.7 | 0 | 0 | 0 | 111.1 | L408 E417 A418 N423 I424 K425 V453 R470 A473 S474 L477 | L408-I421 HydrophobicContact CD2-CG1 4.34Å; E417-I421 VanDerWaalsContact O-CG1 3.24Å; E417-I421 WeakPolarHBondContact O-CG1 3.25Å; E417-I421 PolarHBondContact O-N 3.11Å; A418-I421 PolarHBondContact O-N 3.28Å; I421-N423 VanDerWaalsContact C-N 3.32Å; I421-N423 PolarHBondContact O-N 3.1Å; I421-I424 WeakPolarHBondContact O-CB 3.44Å; I421-I424 PolarHBondContact O-N 3.04Å; I421-K425 PolarHBondContact O-N 3.07Å; I421-V453 HydrophobicContact CD1-CG1 3.75Å; I421-V453 HydrophobicContact CG1-CB 4.4Å; I421-V453 HydrophobicContact CG1-CG1 3.67Å; I421-V453 HydrophobicContact CG1-CG2 3.93Å; I421-V453 HydrophobicContact CG2-CG1 4.03Å; I421-R470 HydrophobicContact CD1-CG 3.87Å; I421-A473 HydrophobicContact CB-CB 3.96Å; I421-A473 HydrophobicContact CD1-CB 4.12Å; I421-A473 HydrophobicContact CG2-CB 3.82Å; I421-S474 WeakPolarHBondContact CD1-OG 3.49Å; I421-L477 HydrophobicContact CG2-CB 4.05Å; I421-L477 HydrophobicContact CG2-CD2 4.01Å |
| 422 | Q | 98.4 | Very high | 95.5 | Very high | 77 Ų | 77 | 33.9 Ų | 33.9 | 36% | 0.36 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 174.5 | 178.1 | 53 | 65.1 | 0 | 0 | 112.1 | A418 F419 I420 K425 N426 | A418-Q422 WeakPolarHBondContact O-CB 3.49Å; A418-Q422 PolarHBondContact O-N 3.04Å; F419-Q422 PolarHBondContact O-N 3.22Å; I420-Q422 VanDerWaalsContact C-N 3.29Å; I420-Q422 PolarHBondContact O-N 3.43Å; Q422-K425 WeakPolarHBondContact O-CB 3.49Å; Q422-K425 PolarHBondContact O-N 3.27Å; Q422-N426 PolarHBondContact NE2-OD1 3.16Å; Q422-N426 VanDerWaalsContact O-CG 3.22Å; Q422-N426 PolarHBondContact O-N 3.41Å; Q422-N426 VanDerWaalsContact O-N 3.15Å; Q422-N426 PolarHBondContact O-ND2 2.73Å; Q422-N426 PolarHBondContact O-OD1 3.42Å |
| 423 | N | 98.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.9 | -37.2 | 173.6 | -88 | -79.1 | 0 | 0 | 0 | 112.8 | Q389 F404 F419 I420 I421 N426 Q427 | Q389-N423 PolarHBondContact NE2-OD1 3.48Å; Q389-N423 PolarHBondContact OE1-ND2 3.2Å; Q389-N423 PolarHBondContact OE1-OD1 3.44Å; F404-N423 HydrophobicContact CE1-CB 3.96Å; F404-N423 HydrophobicContact CE2-CB 4.46Å; F404-N423 HydrophobicContact CZ-CB 3.73Å; F419-N423 WeakPolarHBondContact CE2-ND2 3.5Å; F419-N423 VanDerWaalsContact CZ-ND2 3.31Å; F419-N423 WeakPolarHBondContact CZ-ND2 3.42Å; F419-N423 PolarHBondContact O-N 3.44Å; F419-N423 VanDerWaalsContact O-N 3.11Å; F419-N423 PolarHBondContact O-ND2 3.12Å; F419-N423 VanDerWaalsContact O-ND2 3.11Å; I420-N423 CarbonylContact O-C 3.56Å; I420-N423 WeakPolarHBondContact O-CA 3.21Å; I420-N423 WeakPolarHBondContact O-CB 3.31Å; I420-N423 PolarHBondContact O-N 2.94Å; I421-N423 VanDerWaalsContact C-N 3.32Å; I421-N423 PolarHBondContact O-N 3.1Å; N423-N426 WeakPolarHBondContact O-CB 3.23Å; N423-N426 PolarHBondContact O-N 3.18Å; N423-Q427 PolarHBondContact O-N 3.26Å |
| 424 | I | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 172.2 | -69 | 167.5 | 0 | 0 | 0 | 110 | F404 L408 I420 I421 N426 Q427 I428 L449 V453 L477 | F404-I424 HydrophobicContact CB-CD1 4.23Å; F404-I424 HydrophobicContact CB-CG1 4.22Å; F404-I424 HydrophobicContact CD2-CD1 4.41Å; F404-I424 HydrophobicContact CD2-CG1 3.51Å; F404-I424 HydrophobicContact CE2-CG1 4.06Å; F404-I424 HydrophobicContact CG-CG1 4.02Å; L408-I424 HydrophobicContact CD1-CD1 3.94Å; I420-I424 HydrophobicContact CG2-CD1 4.1Å; I420-I424 HydrophobicContact CG2-CG1 4.46Å; I420-I424 WeakPolarHBondContact O-CG1 3.38Å; I420-I424 PolarHBondContact O-N 3.45Å; I421-I424 WeakPolarHBondContact O-CB 3.44Å; I421-I424 PolarHBondContact O-N 3.04Å; I424-N426 VanDerWaalsContact C-N 3.27Å; I424-N426 PolarHBondContact O-N 3.17Å; I424-Q427 PolarHBondContact O-N 2.99Å; I424-Q427 VanDerWaalsContact O-N 3.07Å; I424-I428 HydrophobicContact CG2-CD1 3.72Å; I424-I428 HydrophobicContact CG2-CG1 4.38Å; I424-I428 VanDerWaalsContact O-CG1 3.31Å; I424-I428 WeakPolarHBondContact O-CG1 3.48Å; I424-I428 PolarHBondContact O-N 3.4Å; I424-L449 HydrophobicContact CD1-CD1 4.28Å; I424-L449 HydrophobicContact CD1-CD2 3.72Å; I424-L449 HydrophobicContact CD1-CG 3.94Å; I424-L449 HydrophobicContact CG1-CD2 3.84Å; I424-L449 HydrophobicContact CG2-CD2 3.96Å; I424-V453 HydrophobicContact CD1-CG2 3.96Å; I424-L477 HydrophobicContact CG2-CD2 4.34Å |
| 425 | K | 97.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.7 | -44.3 | 175.6 | -168.1 | -172.9 | 78 | -166.9 | 0 | 112.1 | I421 Q422 I428 D429 L477 Y480 | I421-K425 PolarHBondContact O-N 3.07Å; Q422-K425 WeakPolarHBondContact O-CB 3.49Å; Q422-K425 PolarHBondContact O-N 3.27Å; K425-I428 PolarHBondContact O-N 3.09Å; K425-D429 PolarHBondContact O-N 3.46Å; K425-L477 HydrophobicContact CB-CD1 3.87Å; K425-L477 HydrophobicContact CG-CD1 3.95Å; K425-Y480 HydrophobicContact CD-CG 4.21Å; K425-Y480 HydrophobicContact CG-CD1 3.93Å; K425-Y480 HydrophobicContact CG-CE1 4.43Å; K425-Y480 HydrophobicContact CG-CG 4.03Å |
| 426 | N | 96.3 | Very high | 90.6 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 34% | 0.342 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 178.2 | -65.5 | -15.5 | 0 | 0 | 0 | 111.9 | Q422 N423 I424 D429 M430 | Q422-N426 PolarHBondContact NE2-OD1 3.16Å; Q422-N426 VanDerWaalsContact O-CG 3.22Å; Q422-N426 PolarHBondContact O-N 3.41Å; Q422-N426 VanDerWaalsContact O-N 3.15Å; Q422-N426 PolarHBondContact O-ND2 2.73Å; Q422-N426 PolarHBondContact O-OD1 3.42Å; N423-N426 WeakPolarHBondContact O-CB 3.23Å; N423-N426 PolarHBondContact O-N 3.18Å; I424-N426 VanDerWaalsContact C-N 3.27Å; I424-N426 PolarHBondContact O-N 3.17Å; N426-D429 PolarHBondContact O-N 2.84Å; N426-M430 VanDerWaalsContact O-CG 3.3Å; N426-M430 WeakPolarHBondContact O-CG 3.42Å; N426-M430 PolarHBondContact O-N 3.31Å |
| 427 | Q | 95.3 | Very high | 88.7 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 176.9 | -68.1 | -51.8 | -64 | 0 | 0 | 112.6 | K400 F404 N423 I424 S431 F441 | K400-Q427 HydrophobicContact CD-CG 3.87Å; K400-Q427 VanDerWaalsContact CD-OE1 3.32Å; F404-Q427 HydrophobicContact CE2-CG 3.96Å; F404-Q427 HydrophobicContact CZ-CG 4.37Å; N423-Q427 PolarHBondContact O-N 3.26Å; I424-Q427 PolarHBondContact O-N 2.99Å; I424-Q427 VanDerWaalsContact O-N 3.07Å; Q427-S431 VanDerWaalsContact O-CB 3.3Å; Q427-S431 WeakPolarHBondContact O-CB 3.47Å; Q427-S431 PolarHBondContact O-N 2.93Å; Q427-S431 PolarHBondContact O-OG 3.28Å; Q427-F441 HydrophobicContact CB-CB 4.38Å; Q427-F441 HydrophobicContact CB-CD1 3.69Å; Q427-F441 HydrophobicContact CB-CD2 3.69Å; Q427-F441 HydrophobicContact CB-CE1 3.78Å; Q427-F441 HydrophobicContact CB-CE2 3.77Å; Q427-F441 HydrophobicContact CB-CG 3.65Å; Q427-F441 HydrophobicContact CB-CZ 3.82Å; Q427-F441 HydrophobicContact CG-CD2 4.35Å; Q427-F441 HydrophobicContact CG-CE1 4.16Å; Q427-F441 HydrophobicContact CG-CE2 3.93Å; Q427-F441 HydrophobicContact CG-CZ 3.83Å |
| 428 | I | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 173.8 | -63 | 161.7 | 0 | 0 | 0 | 110.1 | I424 K425 M430 S431 L432 F441 L446 L477 Y480 L481 | I424-I428 HydrophobicContact CG2-CD1 3.72Å; I424-I428 HydrophobicContact CG2-CG1 4.38Å; I424-I428 VanDerWaalsContact O-CG1 3.31Å; I424-I428 WeakPolarHBondContact O-CG1 3.48Å; I424-I428 PolarHBondContact O-N 3.4Å; K425-I428 PolarHBondContact O-N 3.09Å; I428-M430 VanDerWaalsContact C-N 3.32Å; I428-M430 PolarHBondContact O-N 3.19Å; I428-S431 PolarHBondContact O-N 2.94Å; I428-S431 VanDerWaalsContact O-N 3.07Å; I428-L432 HydrophobicContact CG2-CD1 3.84Å; I428-L432 HydrophobicContact CG2-CG 4.24Å; I428-L432 WeakPolarHBondContact O-CG 3.44Å; I428-L432 PolarHBondContact O-N 3.28Å; I428-F441 HydrophobicContact CG1-CB 4.1Å; I428-L446 HydrophobicContact CD1-CD1 3.5Å; I428-L446 VanDerWaalsContact CD1-CD1 3.5Å; I428-L446 HydrophobicContact CD1-CD2 4.09Å; I428-L446 HydrophobicContact CD1-CG 4.47Å; I428-L446 HydrophobicContact CG1-CD1 3.9Å; I428-L446 HydrophobicContact CG1-CD2 4.2Å; I428-L477 HydrophobicContact CD1-CD1 3.77Å; I428-Y480 HydrophobicContact CG2-CE1 4.24Å; I428-L481 HydrophobicContact CD1-CD2 4.23Å; I428-L481 HydrophobicContact CG2-CD2 3.89Å |
| 429 | D | 93.9 | Very high | 86.6 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 21% | 0.214 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56 | -45 | 176.6 | 177.9 | 65.5 | 0 | 0 | 0 | 112.4 | K425 N426 S431 K433 Y480 | K425-D429 PolarHBondContact O-N 3.46Å; N426-D429 PolarHBondContact O-N 2.84Å; D429-S431 VanDerWaalsContact C-N 3.33Å; D429-S431 PolarHBondContact O-N 3.11Å; D429-K433 VanDerWaalsContact CG-NZ 3.26Å; D429-K433 WeakPolarHBondContact O-CG 3.29Å; D429-K433 PolarHBondContact O-N 2.7Å; D429-K433 WeakPolarHBondContact OD1-CE 3.38Å; D429-K433 IonicContact OD1-NZ 3.84Å; D429-K433 PolarHBondContact OD1-NZ 3.35Å; D429-K433 WeakPolarHBondContact OD2-CE 3.44Å; D429-K433 IonicContact OD2-NZ 3.51Å; D429-K433 PolarHBondContact OD2-NZ 2.81Å; D429-Y480 VanDerWaalsContact CA-OH 3.31Å; D429-Y480 WeakPolarHBondContact CA-OH 3.19Å; D429-Y480 HydrophobicContact CB-CE1 4.49Å; D429-Y480 WeakPolarHBondContact CB-OH 3.18Å; D429-Y480 PolarHBondContact OD1-OH 3.19Å |
| 430 | M | 91.6 | Very high | 86.3 | Confident | 68 Ų | 68 | 66 Ų | 66 | 34% | 0.335 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 176 | -71 | 173.3 | 72.2 | 0 | 0 | 112.7 | N426 I428 R434 | N426-M430 VanDerWaalsContact O-CG 3.3Å; N426-M430 WeakPolarHBondContact O-CG 3.42Å; N426-M430 PolarHBondContact O-N 3.31Å; I428-M430 VanDerWaalsContact C-N 3.32Å; I428-M430 PolarHBondContact O-N 3.19Å; M430-R434 WeakPolarHBondContact O-CG 3.34Å; M430-R434 PolarHBondContact O-N 3.08Å |
| 431 | S | 90.3 | Very high | 86.1 | Confident | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.7 | -38.7 | -177.6 | -58.1 | 0 | 0 | 0 | 0 | 112 | Q427 I428 D429 K433 R434 N438 | Q427-S431 VanDerWaalsContact O-CB 3.3Å; Q427-S431 WeakPolarHBondContact O-CB 3.47Å; Q427-S431 PolarHBondContact O-N 2.93Å; Q427-S431 PolarHBondContact O-OG 3.28Å; I428-S431 PolarHBondContact O-N 2.94Å; I428-S431 VanDerWaalsContact O-N 3.07Å; D429-S431 VanDerWaalsContact C-N 3.33Å; D429-S431 PolarHBondContact O-N 3.11Å; S431-K433 VanDerWaalsContact C-N 3.3Å; S431-K433 PolarHBondContact O-N 3.1Å; S431-R434 PolarHBondContact O-N 3.21Å; S431-N438 PolarHBondContact OG-ND2 3.15Å |
| 432 | L | 88.1 | Confident | 85.8 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.3 | -27.9 | 175.9 | -66.7 | 173.7 | 0 | 0 | 0 | 112.9 | I428 T442 K484 Q491 T492 | I428-L432 HydrophobicContact CG2-CD1 3.84Å; I428-L432 HydrophobicContact CG2-CG 4.24Å; I428-L432 WeakPolarHBondContact O-CG 3.44Å; I428-L432 PolarHBondContact O-N 3.28Å; L432-T442 HydrophobicContact CD2-CG2 4.28Å; L432-K484 HydrophobicContact CD1-CB 4.5Å; L432-Q491 HydrophobicContact CD2-CB 4.06Å; L432-T492 HydrophobicContact CD1-CG2 4.22Å; L432-T492 HydrophobicContact CD2-CG2 4.1Å |
| 433 | K | 85.5 | Confident | 85.4 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 63% | 0.63 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -79.7 | -23.4 | 178.4 | -74.1 | 170.8 | 179.6 | 166.4 | 0 | 114 | D429 S431 | D429-K433 VanDerWaalsContact CG-NZ 3.26Å; D429-K433 WeakPolarHBondContact O-CG 3.29Å; D429-K433 PolarHBondContact O-N 2.7Å; D429-K433 WeakPolarHBondContact OD1-CE 3.38Å; D429-K433 IonicContact OD1-NZ 3.84Å; D429-K433 PolarHBondContact OD1-NZ 3.35Å; D429-K433 WeakPolarHBondContact OD2-CE 3.44Å; D429-K433 IonicContact OD2-NZ 3.51Å; D429-K433 PolarHBondContact OD2-NZ 2.81Å; S431-K433 VanDerWaalsContact C-N 3.3Å; S431-K433 PolarHBondContact O-N 3.1Å |
| 434 | R | 74.7 | Confident | 85.1 | Confident | 170 Ų | 170 | 69.5 Ų | 69.5 | 64% | 0.642 | 35% | 0.346 | S | S | * | . | trans | -100.5 | 122.7 | -174 | -70.8 | -179 | 179.4 | -176.6 | 0.5 | 110.2 | M430 S431 H436 | M430-R434 WeakPolarHBondContact O-CG 3.34Å; M430-R434 PolarHBondContact O-N 3.08Å; S431-R434 PolarHBondContact O-N 3.21Å; R434-H436 PolarHBondContact O-N 3.15Å | ||
| 435 | T | 57.3 | Low | 84.9 | Confident | 140 Ų | 140 | 73.2 Ų | 73.2 | 86% | 0.859 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -69.4 | -1.6 | -177.5 | -20.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 436 | H | 54.7 | Low | 84.7 | Confident | 159 Ų | 159 | 70.9 Ų | 70.9 | 74% | 0.736 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -127.6 | 123.6 | -177.6 | -71.8 | -50.5 | 0 | 0 | 0 | 114.1 | R434 N438 | R434-H436 PolarHBondContact O-N 3.15Å; H436-N438 PolarHBondContact O-N 3.36Å; H436-N438 VanDerWaalsContact O-N 3.1Å |
| 437 | N | 56.4 | Low | 84.6 | Confident | 143 Ų | 143 | 68.8 Ų | 68.8 | 77% | 0.765 | 34% | 0.343 | S | S | * | . | trans | 62 | 8.3 | 144.2 | -88.2 | -5.3 | 0 | 0 | 0 | 121.6 | K439 | N437-K439 PolarHBondContact O-N 3.01Å; N437-K439 VanDerWaalsContact O-N 3.15Å | ||
| 438 | N | 67.1 | Low | 84.6 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | trans | -88.7 | 77.1 | 172 | -160 | 4.6 | 0 | 0 | 0 | 113.6 | S397 S431 H436 W440 | S397-N438 WeakPolarHBondContact CB-OD1 3.43Å; S397-N438 PolarHBondContact OG-ND2 2.96Å; S397-N438 PolarHBondContact OG-OD1 3.07Å; S431-N438 PolarHBondContact OG-ND2 3.15Å; H436-N438 PolarHBondContact O-N 3.36Å; H436-N438 VanDerWaalsContact O-N 3.1Å; N438-W440 VanDerWaalsContact C-N 3.28Å; N438-W440 PolarHBondContact O-N 2.86Å | ||
| 439 | K | 83.6 | Confident | 84.7 | Confident | 149 Ų | 149 | 70.4 Ų | 70.4 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -76.2 | -8 | -177.2 | -59.3 | -177 | -179.3 | -178.3 | 0 | 114.9 | N437 | N437-K439 PolarHBondContact O-N 3.01Å; N437-K439 VanDerWaalsContact O-N 3.15Å |
| 440 | W | 92.7 | Very high | 84.8 | Confident | 73 Ų | 73 | 68.8 Ų | 68.8 | 28% | 0.277 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -79.2 | -23.6 | -172.8 | -74.3 | 109.8 | 0 | 0 | 0 | 113.7 | Q398 Y401 N438 Q445 | Q398-W440 HydrophobicContact CB-CD2 4.36Å; Q398-W440 HydrophobicContact CB-CG 4.38Å; Q398-W440 HydrophobicContact CB-CZ2 4.31Å; Q398-W440 HydrophobicContact CG-CD2 4.21Å; Q398-W440 HydrophobicContact CG-CH2 4.23Å; Q398-W440 HydrophobicContact CG-CZ2 3.55Å; Y401-W440 AromaticContact CD1-CE3 3.81Å; Y401-W440 HydrophobicContact CD1-CE3 3.81Å; Y401-W440 HydrophobicContact CD1-CZ3 4.07Å; Y401-W440 HydrophobicContact CD2-CB 4.44Å; Y401-W440 HydrophobicContact CD2-CE3 4.3Å; Y401-W440 VanDerWaalsContact CD2-O 3.24Å; Y401-W440 WeakPolarHBondContact CD2-O 3.45Å; Y401-W440 HydrophobicContact CE1-CE3 4.09Å; Y401-W440 HydrophobicContact CE1-CZ3 4.11Å; Y401-W440 HydrophobicContact CG-CB 4.49Å; Y401-W440 AromaticContact CG-CE3 3.93Å; Y401-W440 HydrophobicContact CG-CE3 3.93Å; N438-W440 VanDerWaalsContact C-N 3.28Å; N438-W440 PolarHBondContact O-N 2.86Å; W440-Q445 HydrophobicContact CE3-CB 4.1Å; W440-Q445 HydrophobicContact CE3-CG 3.82Å; W440-Q445 HydrophobicContact CZ3-CG 3.96Å; W440-Q445 VanDerWaalsContact CZ3-OE1 3.27Å |
| 441 | F | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -117.6 | 26.6 | 179.9 | -64.5 | -82.3 | 0 | 0 | 0 | 112.1 | S397 K400 Y401 F404 Q427 I428 L449 | S397-F441 WeakPolarHBondContact O-CE2 3.42Å; S397-F441 WeakPolarHBondContact OG-CD2 3.42Å; S397-F441 WeakPolarHBondContact OG-CE2 3.26Å; K400-F441 HydrophobicContact CB-CE2 4.32Å; K400-F441 HydrophobicContact CB-CZ 4.04Å; Y401-F441 HydrophobicContact CD2-CE1 4.4Å; F404-F441 AromaticContact CD2-CE1 3.75Å; F404-F441 HydrophobicContact CD2-CE1 3.75Å; F404-F441 AromaticContact CD2-CZ 3.83Å; F404-F441 HydrophobicContact CD2-CZ 3.83Å; F404-F441 AromaticContact CE2-CE1 3.78Å; F404-F441 HydrophobicContact CE2-CE1 3.78Å; F404-F441 AromaticContact CE2-CZ 3.66Å; F404-F441 HydrophobicContact CE2-CZ 3.66Å; Q427-F441 HydrophobicContact CB-CB 4.38Å; Q427-F441 HydrophobicContact CB-CD1 3.69Å; Q427-F441 HydrophobicContact CB-CD2 3.69Å; Q427-F441 HydrophobicContact CB-CE1 3.78Å; Q427-F441 HydrophobicContact CB-CE2 3.77Å; Q427-F441 HydrophobicContact CB-CG 3.65Å; Q427-F441 HydrophobicContact CB-CZ 3.82Å; Q427-F441 HydrophobicContact CG-CD2 4.35Å; Q427-F441 HydrophobicContact CG-CE1 4.16Å; Q427-F441 HydrophobicContact CG-CE2 3.93Å; Q427-F441 HydrophobicContact CG-CZ 3.83Å; I428-F441 HydrophobicContact CG1-CB 4.1Å; F441-L449 HydrophobicContact CD1-CD2 4.31Å; F441-L449 HydrophobicContact CE1-CD2 4.01Å |
| 442 | T | 91.6 | Very high | 85.2 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -141.8 | 166.3 | 171.6 | 64.2 | 0 | 0 | 0 | 0 | 109.6 | L432 L446 Q491 | L432-T442 HydrophobicContact CD2-CG2 4.28Å; T442-L446 PolarHBondContact O-N 3.37Å; T442-Q491 WeakPolarHBondContact CB-O 3.49Å |
| 443 | G | 90.2 | Very high | 85.6 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | 53.3 | -146.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q445 L446 V447 Q491 T492 | G443-Q445 VanDerWaalsContact C-N 3.29Å; G443-Q445 PolarHBondContact O-N 3.34Å; G443-L446 WeakPolarHBondContact O-CB 3.36Å; G443-L446 PolarHBondContact O-N 3.34Å; G443-L446 VanDerWaalsContact O-N 3.09Å; G443-V447 PolarHBondContact O-N 2.97Å; G443-V447 VanDerWaalsContact O-N 3.11Å; G443-Q491 PolarHBondContact N-O 3.03Å; G443-T492 PolarHBondContact N-O 3.27Å |
| 444 | P | 91.9 | Very high | 86 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 71% | 0.708 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.9 | -28.5 | -171.6 | -26.4 | 35.1 | 0 | 0 | 0 | 115.6 | V447 S448 | P444-V447 PolarHBondContact O-N 2.85Å; P444-S448 PolarHBondContact O-N 3.17Å; P444-S448 VanDerWaalsContact O-N 3.08Å |
| 445 | Q | 94 | Very high | 86.9 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 176.4 | -65.5 | -59.1 | -37.3 | 0 | 0 | 110.6 | Y401 W440 G443 V447 S448 L449 | Y401-Q445 HydrophobicContact CE2-CB 4.22Å; Y401-Q445 VanDerWaalsContact CE2-O 3.29Å; Y401-Q445 WeakPolarHBondContact CE2-O 3.48Å; Y401-Q445 PolarHBondContact OH-O 3.07Å; Y401-Q445 PolarHBondContact OH-OE1 2.93Å; W440-Q445 HydrophobicContact CE3-CB 4.1Å; W440-Q445 HydrophobicContact CE3-CG 3.82Å; W440-Q445 HydrophobicContact CZ3-CG 3.96Å; W440-Q445 VanDerWaalsContact CZ3-OE1 3.27Å; G443-Q445 VanDerWaalsContact C-N 3.29Å; G443-Q445 PolarHBondContact O-N 3.34Å; Q445-V447 VanDerWaalsContact C-N 3.34Å; Q445-V447 PolarHBondContact O-N 3.38Å; Q445-S448 PolarHBondContact O-N 3.44Å; Q445-L449 PolarHBondContact O-N 3.43Å |
| 446 | L | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.1 | 174.9 | 59.6 | 0 | 0 | 0 | 111.4 | I428 T442 G443 S448 L449 L450 L481 T492 | I428-L446 HydrophobicContact CD1-CD1 3.5Å; I428-L446 VanDerWaalsContact CD1-CD1 3.5Å; I428-L446 HydrophobicContact CD1-CD2 4.09Å; I428-L446 HydrophobicContact CD1-CG 4.47Å; I428-L446 HydrophobicContact CG1-CD1 3.9Å; I428-L446 HydrophobicContact CG1-CD2 4.2Å; T442-L446 PolarHBondContact O-N 3.37Å; G443-L446 WeakPolarHBondContact O-CB 3.36Å; G443-L446 PolarHBondContact O-N 3.34Å; G443-L446 VanDerWaalsContact O-N 3.09Å; L446-S448 VanDerWaalsContact C-N 3.33Å; L446-S448 PolarHBondContact O-N 3.15Å; L446-L449 CarbonylContact O-C 3.53Å; L446-L449 WeakPolarHBondContact O-CA 3.41Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 PolarHBondContact O-N 3.39Å; L446-L450 HydrophobicContact CD1-CD1 4.4Å; L446-L450 HydrophobicContact CD1-CD2 4.41Å; L446-L450 HydrophobicContact CD1-CG 4.04Å; L446-L450 HydrophobicContact CG-CD1 4.05Å; L446-L450 HydrophobicContact CG-CG 4.17Å; L446-L450 WeakPolarHBondContact O-CG 3.31Å; L446-L450 PolarHBondContact O-N 3.19Å; L446-L481 HydrophobicContact CD2-CD2 4.39Å; L446-T492 HydrophobicContact CD2-CG2 4.26Å |
| 447 | V | 94.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.3 | -49.6 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | G443 P444 Q445 L449 L450 D451 E497 | G443-V447 PolarHBondContact O-N 2.97Å; G443-V447 VanDerWaalsContact O-N 3.11Å; P444-V447 PolarHBondContact O-N 2.85Å; Q445-V447 VanDerWaalsContact C-N 3.34Å; Q445-V447 PolarHBondContact O-N 3.38Å; V447-L449 PolarHBondContact O-N 3.41Å; V447-L449 VanDerWaalsContact O-N 3.15Å; V447-L450 WeakPolarHBondContact O-CA 3.45Å; V447-L450 WeakPolarHBondContact O-CB 3.43Å; V447-L450 PolarHBondContact O-N 3.42Å; V447-D451 PolarHBondContact O-N 3.21Å; V447-E497 HydrophobicContact CB-CG 4.4Å; V447-E497 HydrophobicContact CG1-CG 3.62Å; V447-E497 HydrophobicContact CG2-CG 3.85Å |
| 448 | S | 95.4 | Very high | 91.8 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 32% | 0.322 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.8 | -29.1 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 113.6 | P444 Q445 L446 | P444-S448 PolarHBondContact O-N 3.17Å; P444-S448 VanDerWaalsContact O-N 3.08Å; Q445-S448 PolarHBondContact O-N 3.44Å; L446-S448 VanDerWaalsContact C-N 3.33Å; L446-S448 PolarHBondContact O-N 3.15Å |
| 449 | L | 96 | Very high | 93 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79.8 | -35.6 | 174.9 | -168.4 | 64.1 | 0 | 0 | 0 | 111.9 | Y401 R405 L408 I424 F441 Q445 L446 V447 D451 L452 V453 | Y401-L449 HydrophobicContact CD2-CD2 3.95Å; Y401-L449 HydrophobicContact CE2-CB 3.78Å; Y401-L449 HydrophobicContact CE2-CD1 4.41Å; Y401-L449 HydrophobicContact CE2-CD2 3.98Å; Y401-L449 HydrophobicContact CE2-CG 4.29Å; R405-L449 HydrophobicContact CB-CD1 4.31Å; L408-L449 HydrophobicContact CD1-CD1 4.26Å; I424-L449 HydrophobicContact CD1-CD1 4.28Å; I424-L449 HydrophobicContact CD1-CD2 3.72Å; I424-L449 HydrophobicContact CD1-CG 3.94Å; I424-L449 HydrophobicContact CG1-CD2 3.84Å; I424-L449 HydrophobicContact CG2-CD2 3.96Å; F441-L449 HydrophobicContact CD1-CD2 4.31Å; F441-L449 HydrophobicContact CE1-CD2 4.01Å; Q445-L449 PolarHBondContact O-N 3.43Å; L446-L449 CarbonylContact O-C 3.53Å; L446-L449 WeakPolarHBondContact O-CA 3.41Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 PolarHBondContact O-N 3.39Å; V447-L449 PolarHBondContact O-N 3.41Å; V447-L449 VanDerWaalsContact O-N 3.15Å; L449-D451 VanDerWaalsContact C-N 3.3Å; L449-D451 PolarHBondContact O-N 2.9Å; L449-L452 HydrophobicContact CD1-CD1 4.49Å; L449-L452 WeakPolarHBondContact O-CB 3.47Å; L449-L452 PolarHBondContact O-N 2.92Å; L449-V453 WeakPolarHBondContact O-CG2 3.42Å; L449-V453 PolarHBondContact O-N 3.23Å |
| 450 | L | 95.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -35 | 174.1 | -71.4 | 176.2 | 0 | 0 | 0 | 111.7 | L446 V447 L452 V453 L454 L477 L481 | L446-L450 HydrophobicContact CD1-CD1 4.4Å; L446-L450 HydrophobicContact CD1-CD2 4.41Å; L446-L450 HydrophobicContact CD1-CG 4.04Å; L446-L450 HydrophobicContact CG-CD1 4.05Å; L446-L450 HydrophobicContact CG-CG 4.17Å; L446-L450 WeakPolarHBondContact O-CG 3.31Å; L446-L450 PolarHBondContact O-N 3.19Å; V447-L450 WeakPolarHBondContact O-CA 3.45Å; V447-L450 WeakPolarHBondContact O-CB 3.43Å; V447-L450 PolarHBondContact O-N 3.42Å; L450-L452 PolarHBondContact O-N 3.29Å; L450-L452 VanDerWaalsContact O-N 3.14Å; L450-V453 PolarHBondContact O-N 2.97Å; L450-L454 HydrophobicContact CB-CD1 4.25Å; L450-L454 HydrophobicContact CD2-CD1 4.39Å; L450-L454 WeakPolarHBondContact O-CB 3.39Å; L450-L454 PolarHBondContact O-N 3.03Å; L450-L477 HydrophobicContact CD2-CD2 3.71Å; L450-L477 HydrophobicContact CD2-CG 4.41Å; L450-L481 HydrophobicContact CD1-CD1 3.95Å; L450-L481 HydrophobicContact CD2-CD1 4.07Å |
| 451 | D | 94.5 | Very high | 93.5 | Very high | 97 Ų | 97 | 45.3 Ų | 45.3 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.8 | -29.7 | 174.4 | -66 | -24.5 | 0 | 0 | 0 | 112.7 | V447 L449 | V447-D451 PolarHBondContact O-N 3.21Å; L449-D451 VanDerWaalsContact C-N 3.3Å; L449-D451 PolarHBondContact O-N 2.9Å |
| 452 | L | 95.6 | Very high | 93.4 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -82.9 | -33.3 | 175.9 | -64 | 170.7 | 0 | 0 | 0 | 112.4 | R405 L408 L449 L450 R470 | R405-L452 HydrophobicContact CB-CD1 4.48Å; R405-L452 HydrophobicContact CG-CD1 3.57Å; L408-L452 HydrophobicContact CD1-CB 4.32Å; L449-L452 HydrophobicContact CD1-CD1 4.49Å; L449-L452 WeakPolarHBondContact O-CB 3.47Å; L449-L452 PolarHBondContact O-N 2.92Å; L450-L452 PolarHBondContact O-N 3.29Å; L450-L452 VanDerWaalsContact O-N 3.14Å; L452-R470 PolarHBondContact O-NH2 3.18Å |
| 453 | V | 96.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -79.9 | -41.3 | -176.9 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | L408 I421 I424 L449 L450 F455 S474 L477 | L408-V453 HydrophobicContact CD1-CG2 3.75Å; I421-V453 HydrophobicContact CD1-CG1 3.75Å; I421-V453 HydrophobicContact CG1-CB 4.4Å; I421-V453 HydrophobicContact CG1-CG1 3.67Å; I421-V453 HydrophobicContact CG1-CG2 3.93Å; I421-V453 HydrophobicContact CG2-CG1 4.03Å; I424-V453 HydrophobicContact CD1-CG2 3.96Å; L449-V453 WeakPolarHBondContact O-CG2 3.42Å; L449-V453 PolarHBondContact O-N 3.23Å; L450-V453 PolarHBondContact O-N 2.97Å; V453-F455 VanDerWaalsContact C-N 3.26Å; V453-F455 PolarHBondContact O-N 2.58Å; V453-S474 VanDerWaalsContact CG1-OG 3.24Å; V453-S474 WeakPolarHBondContact CG1-OG 3.42Å; V453-S474 PolarHBondContact O-OG 2.92Å; V453-L477 HydrophobicContact CG1-CD2 4.06Å |
| 454 | L | 95.8 | Very high | 93.8 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -94.9 | 47.2 | -177.8 | -54 | -179.3 | 0 | 0 | 0 | 110.6 | L450 L478 I501 F505 | L450-L454 HydrophobicContact CB-CD1 4.25Å; L450-L454 HydrophobicContact CD2-CD1 4.39Å; L450-L454 WeakPolarHBondContact O-CB 3.39Å; L450-L454 PolarHBondContact O-N 3.03Å; L454-L478 HydrophobicContact CD1-CD1 4.47Å; L454-I501 HydrophobicContact CD1-CD1 3.89Å; L454-I501 HydrophobicContact CD1-CG1 3.95Å; L454-I501 HydrophobicContact CD1-CG2 3.95Å; L454-F505 VanDerWaalsContact C-CD2 3.45Å; L454-F505 HydrophobicContact CB-CB 4.27Å; L454-F505 HydrophobicContact CB-CD1 4.33Å; L454-F505 HydrophobicContact CB-CD2 4.17Å; L454-F505 HydrophobicContact CB-CG 4Å; L454-F505 HydrophobicContact CD2-CD1 4.13Å; L454-F505 HydrophobicContact CD2-CE1 3.97Å; L454-F505 HydrophobicContact CD2-CZ 4.29Å; L454-F505 WeakPolarHBondContact O-CD2 3.32Å |
| 455 | F | 92.1 | Very high | 93.8 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 48% | 0.478 | 23% | 0.231 | S | C | . | . | trans | -120.6 | 134.7 | -178.5 | 174.3 | -106.7 | 0 | 0 | 0 | 110.3 | V453 P457 | V453-F455 VanDerWaalsContact C-N 3.26Å; V453-F455 PolarHBondContact O-N 2.58Å; F455-P457 HydrophobicContact CE1-CB 3.83Å; F455-P457 HydrophobicContact CZ-CB 4.38Å | ||
| 456 | L | 93 | Very high | 93.7 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | trans | -111.3 | 112.7 | 172.1 | -72.2 | 173.9 | 0 | 0 | 0 | 108.4 | E458 G459 T462 I471 F505 P508 L509 | L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 2.79Å; L456-G459 PolarHBondContact O-N 3.26Å; L456-T462 HydrophobicContact CD2-CG2 4.17Å; L456-I471 HydrophobicContact CD2-CD1 4.16Å; L456-I471 HydrophobicContact CD2-CG1 4.33Å; L456-F505 HydrophobicContact CD1-CD2 4.35Å; L456-F505 HydrophobicContact CD2-CE2 4.32Å; L456-F505 HydrophobicContact CG-CD2 4.02Å; L456-F505 HydrophobicContact CG-CE2 4.15Å; L456-P508 HydrophobicContact CD1-CB 4.07Å; L456-L509 HydrophobicContact CD1-CB 4.11Å | ||
| 457 | P | 88.2 | Confident | 93.7 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 37% | 0.37 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -41.1 | -170.7 | 17.1 | -26.7 | 0 | 0 | 0 | 114.3 | F455 T462 | F455-P457 HydrophobicContact CE1-CB 3.83Å; F455-P457 HydrophobicContact CZ-CB 4.38Å; P457-T462 HydrophobicContact CG-CG2 4.04Å |
| 458 | E | 91.1 | Very high | 93.8 | Very high | 113 Ų | 113 | 47 Ų | 47 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 21.7 | 175.2 | -55.5 | 77.4 | -155.8 | 0 | 0 | 112 | L456 A460 E461 T462 | L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 2.79Å; E458-A460 PolarHBondContact O-N 3.01Å; E458-E461 HydrophobicContact CB-CB 4.21Å; E458-E461 PolarHBondContact O-N 2.85Å; E458-T462 PolarHBondContact N-OG1 3.47Å |
| 459 | G | 92.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | 56 | -124 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L456 E461 T462 | L456-G459 PolarHBondContact O-N 3.26Å; G459-E461 PolarHBondContact O-N 2.99Å; G459-T462 PolarHBondContact N-OG1 3.19Å; G459-T462 WeakPolarHBondContact O-CB 3.36Å; G459-T462 PolarHBondContact O-N 3.32Å; G459-T462 PolarHBondContact O-OG1 2.76Å |
| 460 | A | 93.4 | Very high | 93.9 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -67.9 | -18.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E458 I511 G512 | E458-A460 PolarHBondContact O-N 3.01Å; A460-I511 HydrophobicContact CB-CB 3.9Å; A460-I511 HydrophobicContact CB-CG2 3.66Å; A460-G512 WeakPolarHBondContact O-CA 3.48Å |
| 461 | E | 92 | Very high | 94 | Very high | 159 Ų | 159 | 50.3 Ų | 50.3 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -92 | 1.3 | -179.3 | -62 | -177.3 | 174.1 | 0 | 0 | 113 | E458 G459 D463 | E458-E461 HydrophobicContact CB-CB 4.21Å; E458-E461 PolarHBondContact O-N 2.85Å; G459-E461 PolarHBondContact O-N 2.99Å; E461-D463 PolarHBondContact O-N 3.04Å |
| 462 | T | 93.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -56.2 | 134.9 | 178.9 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | L456 P457 E458 G459 L464 N467 | L456-T462 HydrophobicContact CD2-CG2 4.17Å; P457-T462 HydrophobicContact CG-CG2 4.04Å; E458-T462 PolarHBondContact N-OG1 3.47Å; G459-T462 PolarHBondContact N-OG1 3.19Å; G459-T462 WeakPolarHBondContact O-CB 3.36Å; G459-T462 PolarHBondContact O-N 3.32Å; G459-T462 PolarHBondContact O-OG1 2.76Å; T462-L464 WeakPolarHBondContact O-CG 3.26Å; T462-L464 PolarHBondContact O-N 3.26Å; T462-N467 HydrophobicContact CG2-CB 4.43Å |
| 463 | D | 94.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 32% | 0.316 | 25% | 0.246 | S | C | . | . | trans | -65.5 | 102.2 | 171.6 | -172.8 | -30.3 | 0 | 0 | 0 | 110.2 | E461 L465 Q466 N467 | E461-D463 PolarHBondContact O-N 3.04Å; D463-L465 VanDerWaalsContact C-N 3.3Å; D463-L465 PolarHBondContact O-N 3.34Å; D463-L465 WeakPolarHBondContact OD1-CA 3.37Å; D463-L465 WeakPolarHBondContact OD1-CB 3.48Å; D463-L465 PolarHBondContact OD1-N 3.29Å; D463-Q466 HydrophobicContact CB-CB 4.27Å; D463-Q466 PolarHBondContact OD1-N 3.49Å; D463-N467 WeakPolarHBondContact O-CB 3.49Å; D463-N467 PolarHBondContact O-N 2.7Å; D463-N467 VanDerWaalsContact O-N 3.16Å; D463-N467 PolarHBondContact O-ND2 3.46Å | ||
| 464 | L | 94.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20.8 | -177 | -57.4 | -173.7 | 0 | 0 | 0 | 113.2 | T462 S468 I471 L509 L513 F565 | T462-L464 WeakPolarHBondContact O-CG 3.26Å; T462-L464 PolarHBondContact O-N 3.26Å; L464-S468 VanDerWaalsContact O-CA 3.28Å; L464-S468 WeakPolarHBondContact O-CA 3.5Å; L464-S468 VanDerWaalsContact O-CB 3.32Å; L464-S468 WeakPolarHBondContact O-CB 3.38Å; L464-S468 PolarHBondContact O-N 3.49Å; L464-I471 HydrophobicContact CD2-CD1 3.68Å; L464-L509 HydrophobicContact CD1-CD1 4.42Å; L464-L509 HydrophobicContact CD2-CD1 3.79Å; L464-L513 HydrophobicContact CD1-CB 4.43Å; L464-L513 HydrophobicContact CD1-CD2 3.78Å; L464-L513 HydrophobicContact CD1-CG 3.87Å; L464-F565 HydrophobicContact CB-CD1 4.21Å; L464-F565 HydrophobicContact CB-CE1 3.82Å |
| 465 | L | 93.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 46 Ų | 46 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -49.9 | 176.8 | -67.9 | 177.7 | 0 | 0 | 0 | 110.4 | D463 N467 S468 Y520 A561 T564 F565 | D463-L465 VanDerWaalsContact C-N 3.3Å; D463-L465 PolarHBondContact O-N 3.34Å; D463-L465 WeakPolarHBondContact OD1-CA 3.37Å; D463-L465 WeakPolarHBondContact OD1-CB 3.48Å; D463-L465 PolarHBondContact OD1-N 3.29Å; L465-N467 PolarHBondContact O-N 3.18Å; L465-S468 WeakPolarHBondContact O-CB 3.48Å; L465-S468 PolarHBondContact O-N 3.49Å; L465-S468 PolarHBondContact O-OG 2.96Å; L465-Y520 HydrophobicContact CD1-CE1 4.18Å; L465-Y520 WeakPolarHBondContact CD1-OH 3.24Å; L465-A561 HydrophobicContact CD1-CB 3.61Å; L465-A561 HydrophobicContact CD2-CB 3.73Å; L465-A561 HydrophobicContact CG-CB 4.26Å; L465-T564 HydrophobicContact CD2-CG2 4.09Å; L465-F565 HydrophobicContact CD1-CZ 4.22Å; L465-F565 HydrophobicContact CD2-CD1 4.28Å; L465-F565 HydrophobicContact CD2-CE1 3.5Å; L465-F565 HydrophobicContact CD2-CZ 3.72Å; L465-F565 HydrophobicContact CG-CE1 3.7Å; L465-F565 HydrophobicContact CG-CZ 3.71Å |
| 466 | Q | 91.4 | Very high | 94.8 | Very high | 133 Ų | 133 | 43.6 Ų | 43.6 | 62% | 0.621 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -34.9 | 178.2 | -172.4 | 176.6 | -0.2 | 0 | 0 | 111.6 | S414 D463 | S414-Q466 WeakPolarHBondContact CB-O 3.18Å; S414-Q466 PolarHBondContact OG-O 2.84Å; D463-Q466 HydrophobicContact CB-CB 4.27Å; D463-Q466 PolarHBondContact OD1-N 3.49Å |
| 467 | N | 94.8 | Very high | 95 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 5.5 | -179.5 | -68.5 | -72 | 0 | 0 | 0 | 114.6 | T462 D463 L465 D469 R470 I471 | T462-N467 HydrophobicContact CG2-CB 4.43Å; D463-N467 WeakPolarHBondContact O-CB 3.49Å; D463-N467 PolarHBondContact O-N 2.7Å; D463-N467 VanDerWaalsContact O-N 3.16Å; D463-N467 PolarHBondContact O-ND2 3.46Å; L465-N467 PolarHBondContact O-N 3.18Å; N467-D469 PolarHBondContact O-N 2.83Å; N467-R470 PolarHBondContact O-N 3Å; N467-R470 VanDerWaalsContact O-N 3.14Å; N467-I471 HydrophobicContact CB-CD1 3.82Å; N467-I471 HydrophobicContact CB-CG1 4.21Å; N467-I471 WeakPolarHBondContact O-CG1 3.24Å; N467-I471 PolarHBondContact O-N 3Å |
| 468 | S | 95.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.1 | -47.8 | -172.6 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | L464 L465 R470 I471 M472 | L464-S468 VanDerWaalsContact O-CA 3.28Å; L464-S468 WeakPolarHBondContact O-CA 3.5Å; L464-S468 VanDerWaalsContact O-CB 3.32Å; L464-S468 WeakPolarHBondContact O-CB 3.38Å; L464-S468 PolarHBondContact O-N 3.49Å; L465-S468 WeakPolarHBondContact O-CB 3.48Å; L465-S468 PolarHBondContact O-N 3.49Å; L465-S468 PolarHBondContact O-OG 2.96Å; S468-R470 PolarHBondContact O-N 3.28Å; S468-I471 PolarHBondContact O-N 3.14Å; S468-M472 VanDerWaalsContact O-CB 3.29Å; S468-M472 WeakPolarHBondContact O-CB 3.48Å; S468-M472 VanDerWaalsContact O-CG 3.23Å; S468-M472 WeakPolarHBondContact O-CG 3.49Å; S468-M472 PolarHBondContact O-N 2.8Å |
| 469 | D | 95.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 39.6 Ų | 39.6 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 178.6 | -71.7 | -25.8 | 0 | 0 | 0 | 112.5 | A418 N467 A473 | A418-D469 HydrophobicContact CB-CB 4.11Å; A418-D469 WeakPolarHBondContact CB-O 3.47Å; N467-D469 PolarHBondContact O-N 2.83Å; D469-A473 WeakPolarHBondContact O-CB 3.34Å; D469-A473 PolarHBondContact O-N 3.26Å |
| 470 | R | 97.4 | Very high | 95.9 | Very high | 27 Ų | 27 | 40.2 Ų | 40.2 | 10% | 0.102 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -49.5 | 179.1 | -177.4 | -161.1 | 179.4 | 150.6 | -13.3 | 110.4 | E417 I421 L452 N467 S468 M472 A473 S474 | E417-R470 HydrophobicContact CB-CG 4.15Å; E417-R470 IonicContact OE1-NH1 3.5Å; E417-R470 WeakPolarHBondContact OE2-CD 3.42Å; E417-R470 IonicContact OE2-CZ 2.82Å; E417-R470 IonicContact OE2-NE 3.95Å; E417-R470 PolarHBondContact OE2-NE 3.01Å; E417-R470 IonicContact OE2-NH1 3.34Å; E417-R470 PolarHBondContact OE2-NH1 3.24Å; I421-R470 HydrophobicContact CD1-CG 3.87Å; L452-R470 PolarHBondContact O-NH2 3.18Å; N467-R470 PolarHBondContact O-N 3Å; N467-R470 VanDerWaalsContact O-N 3.14Å; S468-R470 PolarHBondContact O-N 3.28Å; R470-M472 VanDerWaalsContact C-N 3.32Å; R470-M472 PolarHBondContact O-N 3.19Å; R470-A473 PolarHBondContact O-N 3.03Å; R470-S474 WeakPolarHBondContact O-CB 3.26Å; R470-S474 PolarHBondContact O-N 3.05Å; R470-S474 PolarHBondContact O-OG 3.4Å; R470-S474 VanDerWaalsContact O-OG 3.12Å |
| 471 | I | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | -179.4 | -68 | 167.7 | 0 | 0 | 0 | 110.3 | L456 L464 N467 S468 A473 S474 L475 L509 I568 | L456-I471 HydrophobicContact CD2-CD1 4.16Å; L456-I471 HydrophobicContact CD2-CG1 4.33Å; L464-I471 HydrophobicContact CD2-CD1 3.68Å; N467-I471 HydrophobicContact CB-CD1 3.82Å; N467-I471 HydrophobicContact CB-CG1 4.21Å; N467-I471 WeakPolarHBondContact O-CG1 3.24Å; N467-I471 PolarHBondContact O-N 3Å; S468-I471 PolarHBondContact O-N 3.14Å; I471-A473 PolarHBondContact O-N 3.31Å; I471-S474 WeakPolarHBondContact O-CB 3.44Å; I471-S474 PolarHBondContact O-N 2.84Å; I471-L475 HydrophobicContact CG2-CD1 4.05Å; I471-L475 HydrophobicContact CG2-CG 4.41Å; I471-L475 WeakPolarHBondContact O-CG 3.2Å; I471-L475 PolarHBondContact O-N 3.31Å; I471-L509 HydrophobicContact CD1-CD1 4.28Å; I471-L509 HydrophobicContact CG2-CD1 4.06Å; I471-L509 HydrophobicContact CG2-CD2 3.87Å; I471-I568 HydrophobicContact CG2-CG2 3.86Å |
| 472 | M | 97.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 18% | 0.177 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 177 | -77 | -65.2 | -67.6 | 0 | 0 | 112 | S468 R470 N476 L567 I568 V571 | S468-M472 VanDerWaalsContact O-CB 3.29Å; S468-M472 WeakPolarHBondContact O-CB 3.48Å; S468-M472 VanDerWaalsContact O-CG 3.23Å; S468-M472 WeakPolarHBondContact O-CG 3.49Å; S468-M472 PolarHBondContact O-N 2.8Å; R470-M472 VanDerWaalsContact C-N 3.32Å; R470-M472 PolarHBondContact O-N 3.19Å; M472-N476 WeakPolarHBondContact O-CB 3.39Å; M472-N476 PolarHBondContact O-N 3.5Å; M472-N476 PolarHBondContact O-ND2 3.36Å; M472-L567 HydrophobicContact CE-CD1 4.23Å; M472-L567 HydrophobicContact CE-CD2 4.04Å; M472-L567 HydrophobicContact CE-CG 3.81Å; M472-L567 HydrophobicContact SD-CG 4.25Å; M472-I568 HydrophobicContact CG-CG1 4.06Å; M472-I568 HydrophobicContact SD-CB 4.39Å; M472-I568 HydrophobicContact SD-CG1 3.87Å; M472-V571 HydrophobicContact CE-CG2 3.72Å; M472-V571 HydrophobicContact SD-CB 4.48Å; M472-V571 HydrophobicContact SD-CG2 4.13Å |
| 473 | A | 98.2 | Very high | 96.1 | Very high | 19 Ų | 19 | 35 Ų | 35 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A418 I421 D469 R470 I471 N476 L477 | A418-A473 HydrophobicContact CB-CB 3.78Å; I421-A473 HydrophobicContact CB-CB 3.96Å; I421-A473 HydrophobicContact CD1-CB 4.12Å; I421-A473 HydrophobicContact CG2-CB 3.82Å; D469-A473 WeakPolarHBondContact O-CB 3.34Å; D469-A473 PolarHBondContact O-N 3.26Å; R470-A473 PolarHBondContact O-N 3.03Å; I471-A473 PolarHBondContact O-N 3.31Å; A473-N476 PolarHBondContact O-N 2.89Å; A473-L477 WeakPolarHBondContact O-CB 3.46Å; A473-L477 PolarHBondContact O-N 3.48Å |
| 474 | S | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 176.3 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | I421 V453 R470 I471 N476 L477 L478 | I421-S474 WeakPolarHBondContact CD1-OG 3.49Å; V453-S474 VanDerWaalsContact CG1-OG 3.24Å; V453-S474 WeakPolarHBondContact CG1-OG 3.42Å; V453-S474 PolarHBondContact O-OG 2.92Å; R470-S474 WeakPolarHBondContact O-CB 3.26Å; R470-S474 PolarHBondContact O-N 3.05Å; R470-S474 PolarHBondContact O-OG 3.4Å; R470-S474 VanDerWaalsContact O-OG 3.12Å; I471-S474 WeakPolarHBondContact O-CB 3.44Å; I471-S474 PolarHBondContact O-N 2.84Å; S474-N476 PolarHBondContact O-N 3.24Å; S474-L477 WeakPolarHBondContact O-CB 3.35Å; S474-L477 PolarHBondContact O-N 3.01Å; S474-L478 PolarHBondContact O-N 3.19Å |
| 475 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.9 | -74.1 | 173.3 | 0 | 0 | 0 | 112 | I471 L477 L478 R479 F505 L506 L509 I568 V571 L572 | I471-L475 HydrophobicContact CG2-CD1 4.05Å; I471-L475 HydrophobicContact CG2-CG 4.41Å; I471-L475 WeakPolarHBondContact O-CG 3.2Å; I471-L475 PolarHBondContact O-N 3.31Å; L475-L477 VanDerWaalsContact C-N 3.33Å; L475-L477 PolarHBondContact O-N 2.85Å; L475-L478 PolarHBondContact O-N 3.46Å; L475-R479 VanDerWaalsContact O-CB 3.31Å; L475-R479 WeakPolarHBondContact O-CB 3.45Å; L475-R479 PolarHBondContact O-N 2.99Å; L475-F505 HydrophobicContact CD2-CE1 3.98Å; L475-F505 HydrophobicContact CG-CE1 4.47Å; L475-L506 HydrophobicContact CD2-CD2 4.17Å; L475-L509 HydrophobicContact CD1-CD2 4.08Å; L475-L509 HydrophobicContact CD2-CD2 4.2Å; L475-L509 HydrophobicContact CG-CD2 4.38Å; L475-I568 HydrophobicContact CD1-CG2 3.89Å; L475-V571 HydrophobicContact CB-CG1 3.75Å; L475-V571 HydrophobicContact CD1-CB 4.31Å; L475-V571 HydrophobicContact CD1-CG1 4.31Å; L475-L572 HydrophobicContact CD1-CB 4.27Å; L475-L572 HydrophobicContact CD2-CB 4.39Å; L475-L572 HydrophobicContact CD2-CD1 3.99Å |
| 476 | N | 98.2 | Very high | 95.2 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.2 | -32.5 | 176.2 | -81.4 | -67.5 | 0 | 0 | 0 | 112.7 | M472 A473 S474 Y480 | M472-N476 WeakPolarHBondContact O-CB 3.39Å; M472-N476 PolarHBondContact O-N 3.5Å; M472-N476 PolarHBondContact O-ND2 3.36Å; A473-N476 PolarHBondContact O-N 2.89Å; S474-N476 PolarHBondContact O-N 3.24Å; N476-Y480 WeakPolarHBondContact O-CB 3.48Å; N476-Y480 PolarHBondContact O-N 3.4Å |
| 477 | L | 98.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -48.7 | 170.3 | 171.9 | 61 | 0 | 0 | 0 | 110.6 | I421 I424 K425 I428 L450 V453 A473 S474 L475 R479 Y480 L481 | I421-L477 HydrophobicContact CG2-CB 4.05Å; I421-L477 HydrophobicContact CG2-CD2 4.01Å; I424-L477 HydrophobicContact CG2-CD2 4.34Å; K425-L477 HydrophobicContact CB-CD1 3.87Å; K425-L477 HydrophobicContact CG-CD1 3.95Å; I428-L477 HydrophobicContact CD1-CD1 3.77Å; L450-L477 HydrophobicContact CD2-CD2 3.71Å; L450-L477 HydrophobicContact CD2-CG 4.41Å; V453-L477 HydrophobicContact CG1-CD2 4.06Å; A473-L477 WeakPolarHBondContact O-CB 3.46Å; A473-L477 PolarHBondContact O-N 3.48Å; S474-L477 WeakPolarHBondContact O-CB 3.35Å; S474-L477 PolarHBondContact O-N 3.01Å; L475-L477 VanDerWaalsContact C-N 3.33Å; L475-L477 PolarHBondContact O-N 2.85Å; L477-R479 VanDerWaalsContact C-N 3.34Å; L477-R479 PolarHBondContact O-N 2.88Å; L477-Y480 WeakPolarHBondContact O-CB 3.19Å; L477-Y480 PolarHBondContact O-N 3.24Å; L477-Y480 VanDerWaalsContact O-N 3.07Å; L477-L481 HydrophobicContact CD1-CD1 4.27Å; L477-L481 HydrophobicContact CD1-CG 4.2Å; L477-L481 HydrophobicContact CG-CD1 4.23Å; L477-L481 WeakPolarHBondContact O-CG 3.31Å; L477-L481 PolarHBondContact O-N 3.12Å |
| 478 | L | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 179.3 | -171.2 | 58.4 | 0 | 0 | 0 | 111.5 | L454 S474 L475 Y480 L481 V482 L494 I501 L506 V575 | L454-L478 HydrophobicContact CD1-CD1 4.47Å; S474-L478 PolarHBondContact O-N 3.19Å; L475-L478 PolarHBondContact O-N 3.46Å; L478-Y480 VanDerWaalsContact C-N 3.27Å; L478-Y480 PolarHBondContact O-N 2.92Å; L478-L481 PolarHBondContact O-N 3.45Å; L478-L481 VanDerWaalsContact O-N 3.17Å; L478-V482 WeakPolarHBondContact O-CG2 3.35Å; L478-V482 PolarHBondContact O-N 3.29Å; L478-L494 HydrophobicContact CD1-CD1 3.54Å; L478-I501 HydrophobicContact CD1-CG2 4.46Å; L478-I501 HydrophobicContact CD2-CG2 3.96Å; L478-L506 HydrophobicContact CD2-CD1 4.31Å; L478-L506 HydrophobicContact CD2-CD2 3.83Å; L478-L506 HydrophobicContact CD2-CG 4.44Å; L478-V575 HydrophobicContact CB-CG1 4.49Å; L478-V575 HydrophobicContact CD2-CG1 3.79Å; L478-V575 HydrophobicContact CG-CG1 3.9Å |
| 479 | R | 97.1 | Very high | 93.8 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -53.1 | -45.6 | 171.4 | -175.2 | 178.8 | 170.7 | -173.4 | 0.8 | 111.8 | L475 L477 I483 V575 L578 | L475-R479 VanDerWaalsContact O-CB 3.31Å; L475-R479 WeakPolarHBondContact O-CB 3.45Å; L475-R479 PolarHBondContact O-N 2.99Å; L477-R479 VanDerWaalsContact C-N 3.34Å; L477-R479 PolarHBondContact O-N 2.88Å; R479-I483 HydrophobicContact CG-CD1 3.94Å; R479-I483 WeakPolarHBondContact O-CD1 3.48Å; R479-I483 WeakPolarHBondContact O-CG1 3.46Å; R479-I483 PolarHBondContact O-N 2.76Å; R479-V575 HydrophobicContact CB-CG2 3.78Å; R479-V575 HydrophobicContact CG-CG2 4.48Å; R479-L578 HydrophobicContact CG-CD1 3.85Å |
| 480 | Y | 97 | Very high | 93.4 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 179.2 | 172.3 | -94 | 0 | 0 | 0 | 111.9 | K425 I428 D429 N476 L477 L478 I483 K484 | K425-Y480 HydrophobicContact CD-CG 4.21Å; K425-Y480 HydrophobicContact CG-CD1 3.93Å; K425-Y480 HydrophobicContact CG-CE1 4.43Å; K425-Y480 HydrophobicContact CG-CG 4.03Å; I428-Y480 HydrophobicContact CG2-CE1 4.24Å; D429-Y480 VanDerWaalsContact CA-OH 3.31Å; D429-Y480 WeakPolarHBondContact CA-OH 3.19Å; D429-Y480 HydrophobicContact CB-CE1 4.49Å; D429-Y480 WeakPolarHBondContact CB-OH 3.18Å; D429-Y480 PolarHBondContact OD1-OH 3.19Å; N476-Y480 WeakPolarHBondContact O-CB 3.48Å; N476-Y480 PolarHBondContact O-N 3.4Å; L477-Y480 WeakPolarHBondContact O-CB 3.19Å; L477-Y480 PolarHBondContact O-N 3.24Å; L477-Y480 VanDerWaalsContact O-N 3.07Å; L478-Y480 VanDerWaalsContact C-N 3.27Å; L478-Y480 PolarHBondContact O-N 2.92Å; Y480-I483 PolarHBondContact O-N 3.43Å; Y480-K484 HydrophobicContact CD2-CG 4.07Å; Y480-K484 HydrophobicContact CE1-CB 4.5Å; Y480-K484 HydrophobicContact CE1-CG 4.13Å; Y480-K484 HydrophobicContact CE2-CD 4.34Å; Y480-K484 HydrophobicContact CE2-CG 3.57Å; Y480-K484 WeakPolarHBondContact O-CB 3.38Å; Y480-K484 WeakPolarHBondContact O-CG 3.42Å; Y480-K484 PolarHBondContact O-N 2.96Å; Y480-K484 VanDerWaalsContact O-N 3.07Å |
| 481 | L | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | -179.8 | -67 | 171.1 | 0 | 0 | 0 | 112 | I428 L446 L450 L477 L478 I483 K484 D485 T492 L494 | I428-L481 HydrophobicContact CD1-CD2 4.23Å; I428-L481 HydrophobicContact CG2-CD2 3.89Å; L446-L481 HydrophobicContact CD2-CD2 4.39Å; L450-L481 HydrophobicContact CD1-CD1 3.95Å; L450-L481 HydrophobicContact CD2-CD1 4.07Å; L477-L481 HydrophobicContact CD1-CD1 4.27Å; L477-L481 HydrophobicContact CD1-CG 4.2Å; L477-L481 HydrophobicContact CG-CD1 4.23Å; L477-L481 WeakPolarHBondContact O-CG 3.31Å; L477-L481 PolarHBondContact O-N 3.12Å; L478-L481 PolarHBondContact O-N 3.45Å; L478-L481 VanDerWaalsContact O-N 3.17Å; L481-I483 PolarHBondContact O-N 3.14Å; L481-K484 PolarHBondContact O-N 2.7Å; L481-K484 VanDerWaalsContact O-N 3.15Å; L481-D485 PolarHBondContact O-N 2.87Å; L481-T492 HydrophobicContact CD2-CG2 3.87Å; L481-L494 HydrophobicContact CB-CD2 3.76Å |
| 482 | V | 94.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -35.8 | 178.6 | 175.3 | 0 | 0 | 0 | 0 | 112 | L478 L494 W495 L578 I579 K582 | L478-V482 WeakPolarHBondContact O-CG2 3.35Å; L478-V482 PolarHBondContact O-N 3.29Å; V482-L494 HydrophobicContact CB-CD2 4.45Å; V482-L494 HydrophobicContact CG2-CD2 3.69Å; V482-W495 HydrophobicContact CG1-CH2 4.15Å; V482-L578 HydrophobicContact CG1-CB 3.8Å; V482-I579 HydrophobicContact CG1-CG1 4.16Å; V482-I579 HydrophobicContact CG2-CD1 4.44Å; V482-I579 HydrophobicContact CG2-CG1 3.75Å; V482-K582 HydrophobicContact CG1-CG 4.18Å; V482-K582 WeakPolarHBondContact O-CE 3.23Å |
| 483 | I | 93.6 | Very high | 92.1 | Very high | 75 Ų | 75 | 43.4 Ų | 43.4 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.5 | -40.5 | 179.1 | -69.9 | 168.2 | 0 | 0 | 0 | 111.2 | R479 Y480 L481 L578 | R479-I483 HydrophobicContact CG-CD1 3.94Å; R479-I483 WeakPolarHBondContact O-CD1 3.48Å; R479-I483 WeakPolarHBondContact O-CG1 3.46Å; R479-I483 PolarHBondContact O-N 2.76Å; Y480-I483 PolarHBondContact O-N 3.43Å; L481-I483 PolarHBondContact O-N 3.14Å; I483-L578 HydrophobicContact CD1-CD1 3.91Å; I483-L578 HydrophobicContact CG1-CD1 3.88Å; I483-L578 HydrophobicContact CG1-CD2 4.39Å |
| 484 | K | 91.2 | Very high | 91.9 | Very high | 117 Ų | 117 | 42.5 Ų | 42.5 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -89.7 | -36.4 | -167.2 | -76.1 | -63.3 | -168.1 | -177 | 0 | 114.9 | L432 Y480 L481 | L432-K484 HydrophobicContact CD1-CB 4.5Å; Y480-K484 HydrophobicContact CD2-CG 4.07Å; Y480-K484 HydrophobicContact CE1-CB 4.5Å; Y480-K484 HydrophobicContact CE1-CG 4.13Å; Y480-K484 HydrophobicContact CE2-CD 4.34Å; Y480-K484 HydrophobicContact CE2-CG 3.57Å; Y480-K484 WeakPolarHBondContact O-CB 3.38Å; Y480-K484 WeakPolarHBondContact O-CG 3.42Å; Y480-K484 PolarHBondContact O-N 2.96Å; Y480-K484 VanDerWaalsContact O-N 3.07Å; L481-K484 PolarHBondContact O-N 2.7Å; L481-K484 VanDerWaalsContact O-N 3.15Å |
| 485 | D | 86.3 | Confident | 91.6 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -102.8 | 125.1 | -178.1 | -167.3 | 13.9 | 0 | 0 | 0 | 109.8 | L481 N490 Q491 T492 W495 | L481-D485 PolarHBondContact O-N 2.87Å; D485-N490 PolarHBondContact OD1-N 3.5Å; D485-N490 VanDerWaalsContact OD2-C 3.27Å; D485-N490 WeakPolarHBondContact OD2-CA 3.49Å; D485-Q491 PolarHBondContact OD1-N 2.71Å; D485-Q491 PolarHBondContact OD2-N 2.95Å; D485-T492 HydrophobicContact CB-CG2 3.87Å; D485-T492 VanDerWaalsContact OD2-CB 3.26Å; D485-T492 WeakPolarHBondContact OD2-CB 3.37Å; D485-T492 WeakPolarHBondContact OD2-CG2 3.48Å; D485-T492 PolarHBondContact OD2-N 3.3Å; D485-T492 PolarHBondContact OD2-OG1 2.98Å; D485-W495 WeakPolarHBondContact O-CZ2 3.48Å; D485-W495 PolarHBondContact O-NE1 3.3Å |
| 486 | N | 85.2 | Confident | 91.3 | Very high | 85 Ų | 85 | 48.3 Ų | 48.3 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | trans | -87.2 | 150.3 | 178.5 | -67.4 | -36.2 | 0 | 0 | 0 | 110.1 | N488 D489 N490 W495 K582 | N486-N488 VanDerWaalsContact C-N 3.25Å; N486-N488 PolarHBondContact O-N 2.85Å; N486-D489 PolarHBondContact O-N 2.78Å; N486-N490 PolarHBondContact O-N 3.01Å; N486-W495 VanDerWaalsContact C-NE1 3.3Å; N486-K582 PolarHBondContact OD1-NZ 2.77Å | ||
| 487 | E | 84.1 | Confident | 91 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.3 | -177.3 | -170.8 | -179.3 | 176.9 | 0 | 0 | 113.4 | D489 W495 T586 | E487-D489 VanDerWaalsContact C-N 3.31Å; E487-D489 PolarHBondContact O-N 2.94Å; E487-W495 VanDerWaalsContact CA-CD1 3.5Å; E487-W495 HydrophobicContact CB-CD2 3.91Å; E487-W495 HydrophobicContact CB-CE3 4.26Å; E487-W495 HydrophobicContact CB-CG 4.13Å; E487-W495 HydrophobicContact CG-CB 4.27Å; E487-W495 HydrophobicContact CG-CD2 4.1Å; E487-W495 HydrophobicContact CG-CE3 4.21Å; E487-W495 HydrophobicContact CG-CG 4.13Å; E487-T586 HydrophobicContact CB-CG2 4.19Å; E487-T586 HydrophobicContact CG-CG2 4.45Å; E487-T586 WeakPolarHBondContact OE2-CB 3.17Å; E487-T586 PolarHBondContact OE2-OG1 3.46Å |
| 488 | N | 83.4 | Confident | 90.8 | Very high | 109 Ų | 109 | 48.9 Ų | 48.9 | 58% | 0.583 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -21.6 | 179.9 | -66.3 | -30 | 0 | 0 | 0 | 114.1 | N486 T586 | N486-N488 VanDerWaalsContact C-N 3.25Å; N486-N488 PolarHBondContact O-N 2.85Å; N488-T586 WeakPolarHBondContact OD1-CG2 3.35Å |
| 489 | D | 84.3 | Confident | 90.5 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -48.2 | -179.5 | -163.8 | 2.7 | 0 | 0 | 0 | 110.2 | N486 E487 Q491 | N486-D489 PolarHBondContact O-N 2.78Å; E487-D489 VanDerWaalsContact C-N 3.31Å; E487-D489 PolarHBondContact O-N 2.94Å; D489-Q491 HydrophobicContact CB-CG 4.48Å; D489-Q491 VanDerWaalsContact CG-CG 3.49Å; D489-Q491 PolarHBondContact O-N 3.35Å; D489-Q491 VanDerWaalsContact O-N 3.16Å; D489-Q491 WeakPolarHBondContact OD1-CG 3.29Å; D489-Q491 PolarHBondContact OD1-NE2 2.93Å; D489-Q491 PolarHBondContact OD2-NE2 3.2Å |
| 490 | N | 88.7 | Confident | 90.4 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 21% | 0.214 | 26% | 0.264 | C | S | . | . | trans | 47.2 | 41.4 | 175.3 | -168 | 33.6 | 0 | 0 | 0 | 113.6 | D485 N486 T492 G493 L494 W495 T496 | D485-N490 PolarHBondContact OD1-N 3.5Å; D485-N490 VanDerWaalsContact OD2-C 3.27Å; D485-N490 WeakPolarHBondContact OD2-CA 3.49Å; N486-N490 PolarHBondContact O-N 3.01Å; N490-T492 PolarHBondContact O-N 3.35Å; N490-G493 PolarHBondContact O-N 2.7Å; N490-G493 VanDerWaalsContact OD1-C 3.29Å; N490-G493 VanDerWaalsContact OD1-CA 3.26Å; N490-G493 WeakPolarHBondContact OD1-CA 3.33Å; N490-G493 PolarHBondContact OD1-N 3.33Å; N490-L494 PolarHBondContact OD1-N 2.72Å; N490-W495 HydrophobicContact CB-CB 4.43Å; N490-W495 WeakPolarHBondContact OD1-CB 3.23Å; N490-W495 PolarHBondContact OD1-N 3.07Å; N490-T496 PolarHBondContact ND2-OG1 2.8Å | ||
| 491 | Q | 88 | Confident | 90.3 | Very high | 91 Ų | 91 | 49 Ų | 49 | 43% | 0.425 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.2 | -178.8 | -60.5 | -169.7 | 34.7 | 0 | 0 | 111.9 | L432 T442 G443 D485 D489 | L432-Q491 HydrophobicContact CD2-CB 4.06Å; T442-Q491 WeakPolarHBondContact CB-O 3.49Å; G443-Q491 PolarHBondContact N-O 3.03Å; D485-Q491 PolarHBondContact OD1-N 2.71Å; D485-Q491 PolarHBondContact OD2-N 2.95Å; D489-Q491 HydrophobicContact CB-CG 4.48Å; D489-Q491 VanDerWaalsContact CG-CG 3.49Å; D489-Q491 PolarHBondContact O-N 3.35Å; D489-Q491 VanDerWaalsContact O-N 3.16Å; D489-Q491 WeakPolarHBondContact OD1-CG 3.29Å; D489-Q491 PolarHBondContact OD1-NE2 2.93Å; D489-Q491 PolarHBondContact OD2-NE2 3.2Å |
| 492 | T | 88.4 | Confident | 90.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -21 | -178.9 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | L432 G443 L446 L481 D485 N490 L494 | L432-T492 HydrophobicContact CD1-CG2 4.22Å; L432-T492 HydrophobicContact CD2-CG2 4.1Å; G443-T492 PolarHBondContact N-O 3.27Å; L446-T492 HydrophobicContact CD2-CG2 4.26Å; L481-T492 HydrophobicContact CD2-CG2 3.87Å; D485-T492 HydrophobicContact CB-CG2 3.87Å; D485-T492 VanDerWaalsContact OD2-CB 3.26Å; D485-T492 WeakPolarHBondContact OD2-CB 3.37Å; D485-T492 WeakPolarHBondContact OD2-CG2 3.48Å; D485-T492 PolarHBondContact OD2-N 3.3Å; D485-T492 PolarHBondContact OD2-OG1 2.98Å; N490-T492 PolarHBondContact O-N 3.35Å; T492-L494 WeakPolarHBondContact OG1-CB 3.49Å; T492-L494 PolarHBondContact OG1-N 3.19Å |
| 493 | G | 89.9 | Confident | 90.3 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 76.8 | 7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114 | N490 W495 T496 | N490-G493 PolarHBondContact O-N 2.7Å; N490-G493 VanDerWaalsContact OD1-C 3.29Å; N490-G493 VanDerWaalsContact OD1-CA 3.26Å; N490-G493 WeakPolarHBondContact OD1-CA 3.33Å; N490-G493 PolarHBondContact OD1-N 3.33Å; G493-W495 PolarHBondContact O-N 3.22Å; G493-T496 PolarHBondContact O-OG1 3.33Å |
| 494 | L | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 178.9 | 172.7 | 68.9 | 0 | 0 | 0 | 111.9 | L478 L481 V482 N490 T492 T496 E497 L498 I501 | L478-L494 HydrophobicContact CD1-CD1 3.54Å; L481-L494 HydrophobicContact CB-CD2 3.76Å; V482-L494 HydrophobicContact CB-CD2 4.45Å; V482-L494 HydrophobicContact CG2-CD2 3.69Å; N490-L494 PolarHBondContact OD1-N 2.72Å; T492-L494 WeakPolarHBondContact OG1-CB 3.49Å; T492-L494 PolarHBondContact OG1-N 3.19Å; L494-T496 PolarHBondContact O-N 2.98Å; L494-E497 CarbonylContact O-C 3.55Å; L494-E497 PolarHBondContact O-N 3.22Å; L494-L498 PolarHBondContact O-N 3.04Å; L494-I501 HydrophobicContact CD1-CD1 3.65Å |
| 495 | W | 93.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -29.1 | -170.4 | -62.2 | 102.6 | 0 | 0 | 0 | 112.4 | V482 D485 N486 E487 N490 G493 E497 L498 K582 | V482-W495 HydrophobicContact CG1-CH2 4.15Å; D485-W495 WeakPolarHBondContact O-CZ2 3.48Å; D485-W495 PolarHBondContact O-NE1 3.3Å; N486-W495 VanDerWaalsContact C-NE1 3.3Å; E487-W495 VanDerWaalsContact CA-CD1 3.5Å; E487-W495 HydrophobicContact CB-CD2 3.91Å; E487-W495 HydrophobicContact CB-CE3 4.26Å; E487-W495 HydrophobicContact CB-CG 4.13Å; E487-W495 HydrophobicContact CG-CB 4.27Å; E487-W495 HydrophobicContact CG-CD2 4.1Å; E487-W495 HydrophobicContact CG-CE3 4.21Å; E487-W495 HydrophobicContact CG-CG 4.13Å; N490-W495 HydrophobicContact CB-CB 4.43Å; N490-W495 WeakPolarHBondContact OD1-CB 3.23Å; N490-W495 PolarHBondContact OD1-N 3.07Å; G493-W495 PolarHBondContact O-N 3.22Å; W495-E497 VanDerWaalsContact C-N 3.35Å; W495-L498 HydrophobicContact CE3-CD2 4.02Å; W495-L498 HydrophobicContact CZ3-CD2 4.07Å; W495-K582 HydrophobicContact CH2-CB 3.53Å; W495-K582 HydrophobicContact CH2-CG 4.24Å; W495-K582 HydrophobicContact CZ2-CB 4.19Å; W495-K582 HydrophobicContact CZ3-CB 4.39Å |
| 496 | T | 91.3 | Very high | 91.1 | Very high | 96 Ų | 96 | 52 Ų | 52 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.2 | -32 | 172 | 27.5 | 0 | 0 | 0 | 0 | 113.1 | N490 G493 L494 | N490-T496 PolarHBondContact ND2-OG1 2.8Å; G493-T496 PolarHBondContact O-OG1 3.33Å; L494-T496 PolarHBondContact O-N 2.98Å |
| 497 | E | 92.4 | Very high | 91.6 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -101.1 | -1.4 | -176.5 | -64.8 | -58.6 | 143.6 | 0 | 0 | 113.7 | V447 L494 W495 G499 N500 I501 | V447-E497 HydrophobicContact CB-CG 4.4Å; V447-E497 HydrophobicContact CG1-CG 3.62Å; V447-E497 HydrophobicContact CG2-CG 3.85Å; L494-E497 CarbonylContact O-C 3.55Å; L494-E497 PolarHBondContact O-N 3.22Å; W495-E497 VanDerWaalsContact C-N 3.35Å; E497-G499 VanDerWaalsContact C-N 3.29Å; E497-G499 PolarHBondContact O-N 3Å; E497-N500 WeakPolarHBondContact O-CA 3.35Å; E497-N500 WeakPolarHBondContact O-CB 3.41Å; E497-N500 PolarHBondContact O-N 2.88Å; E497-N500 PolarHBondContact OE2-ND2 3.18Å; E497-I501 HydrophobicContact CB-CD1 4.17Å; E497-I501 HydrophobicContact CB-CG1 4.49Å; E497-I501 WeakPolarHBondContact O-CG1 3.45Å; E497-I501 PolarHBondContact O-N 2.8Å |
| 498 | L | 92.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.5 | -44.6 | -173.3 | -177.9 | 64.5 | 0 | 0 | 0 | 112.5 | L494 W495 N500 I501 E502 I579 | L494-L498 PolarHBondContact O-N 3.04Å; W495-L498 HydrophobicContact CE3-CD2 4.02Å; W495-L498 HydrophobicContact CZ3-CD2 4.07Å; L498-N500 VanDerWaalsContact C-N 3.32Å; L498-N500 PolarHBondContact O-N 3.25Å; L498-I501 PolarHBondContact O-N 3.06Å; L498-E502 WeakPolarHBondContact O-CG 3.42Å; L498-E502 PolarHBondContact O-N 3.13Å; L498-I579 HydrophobicContact CD1-CD1 3.88Å; L498-I579 HydrophobicContact CD1-CG1 4.16Å; L498-I579 HydrophobicContact CD1-CG2 4.09Å; L498-I579 HydrophobicContact CD2-CG2 3.74Å; L498-I579 HydrophobicContact CG-CG2 4.42Å |
| 499 | G | 92.3 | Very high | 93 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.8 | -34.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E497 N503 | E497-G499 VanDerWaalsContact C-N 3.29Å; E497-G499 PolarHBondContact O-N 3Å; G499-N503 WeakPolarHBondContact O-CB 3.44Å; G499-N503 VanDerWaalsContact O-CG 3.28Å; G499-N503 PolarHBondContact O-N 3.35Å; G499-N503 PolarHBondContact O-ND2 3.49Å |
| 500 | N | 93.6 | Very high | 93.6 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.9 | -42.2 | 175.4 | -68.9 | -22.5 | 0 | 0 | 0 | 110.7 | E497 L498 N503 N504 | E497-N500 WeakPolarHBondContact O-CA 3.35Å; E497-N500 WeakPolarHBondContact O-CB 3.41Å; E497-N500 PolarHBondContact O-N 2.88Å; E497-N500 PolarHBondContact OE2-ND2 3.18Å; L498-N500 VanDerWaalsContact C-N 3.32Å; L498-N500 PolarHBondContact O-N 3.25Å; N500-N503 PolarHBondContact O-N 3.29Å; N500-N504 VanDerWaalsContact O-CB 3.28Å; N500-N504 WeakPolarHBondContact O-CB 3.29Å; N500-N504 PolarHBondContact O-N 3.33Å; N500-N504 PolarHBondContact O-ND2 3.38Å |
| 501 | I | 95.3 | Very high | 94 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 177 | -66.7 | 167.3 | 0 | 0 | 0 | 111 | L454 L478 L494 E497 L498 N503 F505 L506 | L454-I501 HydrophobicContact CD1-CD1 3.89Å; L454-I501 HydrophobicContact CD1-CG1 3.95Å; L454-I501 HydrophobicContact CD1-CG2 3.95Å; L478-I501 HydrophobicContact CD1-CG2 4.46Å; L478-I501 HydrophobicContact CD2-CG2 3.96Å; L494-I501 HydrophobicContact CD1-CD1 3.65Å; E497-I501 HydrophobicContact CB-CD1 4.17Å; E497-I501 HydrophobicContact CB-CG1 4.49Å; E497-I501 WeakPolarHBondContact O-CG1 3.45Å; E497-I501 PolarHBondContact O-N 2.8Å; L498-I501 PolarHBondContact O-N 3.06Å; I501-N503 VanDerWaalsContact C-N 3.33Å; I501-N503 PolarHBondContact O-N 3.44Å; I501-F505 WeakPolarHBondContact O-CA 3.28Å; I501-F505 WeakPolarHBondContact O-CB 3.33Å; I501-F505 PolarHBondContact O-N 3.09Å; I501-L506 HydrophobicContact CG2-CD1 4.49Å; I501-L506 HydrophobicContact CG2-CG 4.35Å; I501-L506 PolarHBondContact O-N 3.44Å; I501-L506 VanDerWaalsContact O-N 3.14Å |
| 502 | E | 94.6 | Very high | 94.4 | Very high | 63 Ų | 63 | 41 Ų | 41 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -58.6 | -45.4 | 175.8 | -78.4 | 178.3 | -178.8 | 0 | 0 | 111.9 | L498 L506 K507 | L498-E502 WeakPolarHBondContact O-CG 3.42Å; L498-E502 PolarHBondContact O-N 3.13Å; E502-L506 HydrophobicContact CG-CD1 4.03Å; E502-K507 WeakPolarHBondContact O-CB 3.32Å; E502-K507 VanDerWaalsContact O-CG 3.31Å; E502-K507 WeakPolarHBondContact O-CG 3.34Å; E502-K507 PolarHBondContact O-N 3.09Å |
| 503 | N | 94.4 | Very high | 94.8 | Very high | 81 Ų | 81 | 41 Ų | 41 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -76.4 | -35.8 | -175.7 | -70.5 | -36.3 | 0 | 0 | 0 | 113.6 | G499 N500 I501 K507 P508 | G499-N503 WeakPolarHBondContact O-CB 3.44Å; G499-N503 VanDerWaalsContact O-CG 3.28Å; G499-N503 PolarHBondContact O-N 3.35Å; G499-N503 PolarHBondContact O-ND2 3.49Å; N500-N503 PolarHBondContact O-N 3.29Å; I501-N503 VanDerWaalsContact C-N 3.33Å; I501-N503 PolarHBondContact O-N 3.44Å; N503-K507 PolarHBondContact OD1-NZ 3.44Å; N503-P508 VanDerWaalsContact O-CD 3.3Å; N503-P508 WeakPolarHBondContact O-CD 3.49Å; N503-P508 WeakPolarHBondContact O-CG 3.24Å |
| 504 | N | 94.3 | Very high | 95.1 | Very high | 114 Ų | 114 | 45 Ų | 45 | 61% | 0.61 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -99.1 | -18.4 | -171.7 | -62.2 | -20 | 0 | 0 | 0 | 113.5 | N500 | N500-N504 VanDerWaalsContact O-CB 3.28Å; N500-N504 WeakPolarHBondContact O-CB 3.29Å; N500-N504 PolarHBondContact O-N 3.33Å; N500-N504 PolarHBondContact O-ND2 3.38Å |
| 505 | F | 97.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -125 | -59.1 | -177.6 | -176.5 | -107.5 | 0 | 0 | 0 | 112.9 | L454 L456 L475 I501 P508 L509 | L454-F505 VanDerWaalsContact C-CD2 3.45Å; L454-F505 HydrophobicContact CB-CB 4.27Å; L454-F505 HydrophobicContact CB-CD1 4.33Å; L454-F505 HydrophobicContact CB-CD2 4.17Å; L454-F505 HydrophobicContact CB-CG 4Å; L454-F505 HydrophobicContact CD2-CD1 4.13Å; L454-F505 HydrophobicContact CD2-CE1 3.97Å; L454-F505 HydrophobicContact CD2-CZ 4.29Å; L454-F505 WeakPolarHBondContact O-CD2 3.32Å; L456-F505 HydrophobicContact CD1-CD2 4.35Å; L456-F505 HydrophobicContact CD2-CE2 4.32Å; L456-F505 HydrophobicContact CG-CD2 4.02Å; L456-F505 HydrophobicContact CG-CE2 4.15Å; L475-F505 HydrophobicContact CD2-CE1 3.98Å; L475-F505 HydrophobicContact CG-CE1 4.47Å; I501-F505 WeakPolarHBondContact O-CA 3.28Å; I501-F505 WeakPolarHBondContact O-CB 3.33Å; I501-F505 PolarHBondContact O-N 3.09Å; F505-P508 WeakPolarHBondContact O-CD 3.11Å; F505-L509 HydrophobicContact CE1-CD2 4.47Å; F505-L509 HydrophobicContact CZ-CD2 4.35Å; F505-L509 WeakPolarHBondContact O-CB 3.36Å; F505-L509 PolarHBondContact O-N 3.13Å |
| 506 | L | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -68.3 | -48.9 | -171.4 | -57.4 | 177.6 | 0 | 0 | 0 | 113.1 | L475 L478 I501 E502 L509 H510 L572 I579 | L475-L506 HydrophobicContact CD2-CD2 4.17Å; L478-L506 HydrophobicContact CD2-CD1 4.31Å; L478-L506 HydrophobicContact CD2-CD2 3.83Å; L478-L506 HydrophobicContact CD2-CG 4.44Å; I501-L506 HydrophobicContact CG2-CD1 4.49Å; I501-L506 HydrophobicContact CG2-CG 4.35Å; I501-L506 PolarHBondContact O-N 3.44Å; I501-L506 VanDerWaalsContact O-N 3.14Å; E502-L506 HydrophobicContact CG-CD1 4.03Å; L506-L509 PolarHBondContact O-N 3.28Å; L506-H510 PolarHBondContact O-CD2 3.12Å; L506-H510 PolarHBondContact O-N 3.05Å; L506-L572 HydrophobicContact CB-CD1 4.27Å; L506-L572 HydrophobicContact CD2-CD1 3.54Å; L506-L572 HydrophobicContact CG-CD1 4.44Å; L506-I579 HydrophobicContact CD1-CD1 4.11Å |
| 507 | K | 96.4 | Very high | 95.4 | Very high | 102 Ų | 102 | 45.8 Ų | 45.8 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -47.1 | 178.5 | -70.3 | 172.8 | -170.9 | 168.1 | 0 | 112.5 | E502 N503 L509 H510 I511 | E502-K507 WeakPolarHBondContact O-CB 3.32Å; E502-K507 VanDerWaalsContact O-CG 3.31Å; E502-K507 WeakPolarHBondContact O-CG 3.34Å; E502-K507 PolarHBondContact O-N 3.09Å; N503-K507 PolarHBondContact OD1-NZ 3.44Å; K507-L509 VanDerWaalsContact C-N 3.26Å; K507-L509 PolarHBondContact O-N 3.31Å; K507-H510 WeakPolarHBondContact O-CB 3.4Å; K507-H510 PolarHBondContact O-N 2.96Å; K507-I511 WeakPolarHBondContact O-CG1 3.27Å; K507-I511 PolarHBondContact O-N 2.89Å; K507-I511 VanDerWaalsContact O-N 3.08Å |
| 508 | P | 97.5 | Very high | 95.5 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 16% | 0.156 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -35.8 | 174.1 | -26.2 | 36.6 | 0 | 0 | 0 | 113.1 | L456 N503 F505 I511 G512 | L456-P508 HydrophobicContact CD1-CB 4.07Å; N503-P508 VanDerWaalsContact O-CD 3.3Å; N503-P508 WeakPolarHBondContact O-CD 3.49Å; N503-P508 WeakPolarHBondContact O-CG 3.24Å; F505-P508 WeakPolarHBondContact O-CD 3.11Å; P508-I511 PolarHBondContact O-N 3.16Å; P508-G512 PolarHBondContact O-N 3.26Å |
| 509 | L | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.8 | -175.2 | 59.2 | 0 | 0 | 0 | 112.2 | L456 L464 I471 L475 F505 L506 K507 I511 G512 L513 I568 L572 | L456-L509 HydrophobicContact CD1-CB 4.11Å; L464-L509 HydrophobicContact CD1-CD1 4.42Å; L464-L509 HydrophobicContact CD2-CD1 3.79Å; I471-L509 HydrophobicContact CD1-CD1 4.28Å; I471-L509 HydrophobicContact CG2-CD1 4.06Å; I471-L509 HydrophobicContact CG2-CD2 3.87Å; L475-L509 HydrophobicContact CD1-CD2 4.08Å; L475-L509 HydrophobicContact CD2-CD2 4.2Å; L475-L509 HydrophobicContact CG-CD2 4.38Å; F505-L509 HydrophobicContact CE1-CD2 4.47Å; F505-L509 HydrophobicContact CZ-CD2 4.35Å; F505-L509 WeakPolarHBondContact O-CB 3.36Å; F505-L509 PolarHBondContact O-N 3.13Å; L506-L509 PolarHBondContact O-N 3.28Å; K507-L509 VanDerWaalsContact C-N 3.26Å; K507-L509 PolarHBondContact O-N 3.31Å; L509-I511 VanDerWaalsContact C-N 3.34Å; L509-I511 PolarHBondContact O-N 3.29Å; L509-G512 PolarHBondContact O-N 2.72Å; L509-L513 HydrophobicContact CG-CD1 4.24Å; L509-L513 WeakPolarHBondContact O-CB 3.34Å; L509-L513 WeakPolarHBondContact O-CG 3.38Å; L509-L513 PolarHBondContact O-N 3.46Å; L509-I568 HydrophobicContact CD1-CG2 4.41Å; L509-I568 HydrophobicContact CD2-CG2 4.26Å; L509-L572 HydrophobicContact CB-CD2 4.46Å; L509-L572 HydrophobicContact CD2-CD1 4.46Å; L509-L572 HydrophobicContact CD2-CD2 4.1Å; L509-L572 HydrophobicContact CG-CD2 4.11Å |
| 510 | H | 97.1 | Very high | 95.5 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 21% | 0.213 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.4 | -46 | 171.8 | -87.4 | -64.8 | 0 | 0 | 0 | 112.3 | L506 K507 L513 N514 L572 E576 | L506-H510 PolarHBondContact O-CD2 3.12Å; L506-H510 PolarHBondContact O-N 3.05Å; K507-H510 WeakPolarHBondContact O-CB 3.4Å; K507-H510 PolarHBondContact O-N 2.96Å; H510-L513 PolarHBondContact O-N 3.4Å; H510-N514 WeakPolarHBondContact O-CB 3.36Å; H510-N514 PolarHBondContact O-N 3.47Å; H510-N514 PolarHBondContact O-ND2 3.01Å; H510-N514 VanDerWaalsContact O-ND2 3.09Å; H510-L572 VanDerWaalsContact CE1-CD2 3.46Å; H510-L572 WeakPolarHBondContact CE1-CD2 3.41Å; H510-E576 IonicContact CD2-OE1 4Å; H510-E576 PolarHBondContact CD2-OE1 3.18Å; H510-E576 IonicContact CE1-OE2 2.65Å; H510-E576 IonicContact NE2-OE1 2.55Å; H510-E576 PolarHBondContact NE2-OE1 3.08Å; H510-E576 IonicContact NE2-OE2 2.81Å; H510-E576 PolarHBondContact NE2-OE2 3.22Å |
| 511 | I | 97.2 | Very high | 95.5 | Very high | 87 Ų | 87 | 50.7 Ų | 50.7 | 45% | 0.446 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 178.4 | -62.7 | 166.6 | 0 | 0 | 0 | 109.8 | A460 K507 P508 L509 L513 N514 M515 | A460-I511 HydrophobicContact CB-CB 3.9Å; A460-I511 HydrophobicContact CB-CG2 3.66Å; K507-I511 WeakPolarHBondContact O-CG1 3.27Å; K507-I511 PolarHBondContact O-N 2.89Å; K507-I511 VanDerWaalsContact O-N 3.08Å; P508-I511 PolarHBondContact O-N 3.16Å; L509-I511 VanDerWaalsContact C-N 3.34Å; L509-I511 PolarHBondContact O-N 3.29Å; I511-L513 VanDerWaalsContact C-N 3.35Å; I511-L513 PolarHBondContact O-N 2.94Å; I511-N514 PolarHBondContact O-N 2.89Å; I511-M515 HydrophobicContact CG2-CG 4.35Å; I511-M515 HydrophobicContact CG2-SD 3.77Å; I511-M515 WeakPolarHBondContact O-CB 3.46Å; I511-M515 VanDerWaalsContact O-CG 3.32Å; I511-M515 WeakPolarHBondContact O-CG 3.28Å; I511-M515 PolarHBondContact O-N 2.87Å |
| 512 | G | 96.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A460 P508 L509 S516 | A460-G512 WeakPolarHBondContact O-CA 3.48Å; P508-G512 PolarHBondContact O-N 3.26Å; L509-G512 PolarHBondContact O-N 2.72Å; G512-S516 WeakPolarHBondContact O-CB 3.33Å; G512-S516 PolarHBondContact O-N 2.93Å; G512-S516 PolarHBondContact O-OG 3.32Å |
| 513 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.7 | -77.8 | 166.4 | 0 | 0 | 0 | 111.4 | L464 L509 H510 I511 M515 S516 K517 F565 I568 E569 L572 | L464-L513 HydrophobicContact CD1-CB 4.43Å; L464-L513 HydrophobicContact CD1-CD2 3.78Å; L464-L513 HydrophobicContact CD1-CG 3.87Å; L509-L513 HydrophobicContact CG-CD1 4.24Å; L509-L513 WeakPolarHBondContact O-CB 3.34Å; L509-L513 WeakPolarHBondContact O-CG 3.38Å; L509-L513 PolarHBondContact O-N 3.46Å; H510-L513 PolarHBondContact O-N 3.4Å; I511-L513 VanDerWaalsContact C-N 3.35Å; I511-L513 PolarHBondContact O-N 2.94Å; L513-M515 PolarHBondContact O-N 3.14Å; L513-S516 PolarHBondContact O-N 3.43Å; L513-K517 WeakPolarHBondContact O-CB 3.44Å; L513-K517 VanDerWaalsContact O-CG 3.32Å; L513-K517 WeakPolarHBondContact O-CG 3.39Å; L513-K517 PolarHBondContact O-N 3.31Å; L513-F565 HydrophobicContact CD2-CB 3.88Å; L513-F565 HydrophobicContact CD2-CD1 4.34Å; L513-F565 HydrophobicContact CD2-CG 4.42Å; L513-I568 HydrophobicContact CD1-CG2 4.09Å; L513-I568 HydrophobicContact CD2-CB 4.13Å; L513-I568 HydrophobicContact CD2-CG2 4.12Å; L513-E569 HydrophobicContact CD1-CB 4.01Å; L513-E569 HydrophobicContact CD1-CG 4.4Å; L513-L572 HydrophobicContact CD1-CD2 3.86Å |
| 514 | N | 96.2 | Very high | 94.7 | Very high | 91 Ų | 91 | 48.1 Ų | 48.1 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 178 | -74.5 | -37.7 | 0 | 0 | 0 | 111.7 | H510 I511 A518 | H510-N514 WeakPolarHBondContact O-CB 3.36Å; H510-N514 PolarHBondContact O-N 3.47Å; H510-N514 PolarHBondContact O-ND2 3.01Å; H510-N514 VanDerWaalsContact O-ND2 3.09Å; I511-N514 PolarHBondContact O-N 2.89Å; N514-A518 VanDerWaalsContact O-CB 3.26Å; N514-A518 WeakPolarHBondContact O-CB 3.2Å; N514-A518 PolarHBondContact O-N 3.28Å |
| 515 | M | 94.6 | Very high | 94.4 | Very high | 98 Ų | 98 | 48.6 Ų | 48.6 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.6 | -72.8 | 177.1 | 61.9 | 0 | 0 | 111.5 | I511 L513 A518 H519 | I511-M515 HydrophobicContact CG2-CG 4.35Å; I511-M515 HydrophobicContact CG2-SD 3.77Å; I511-M515 WeakPolarHBondContact O-CB 3.46Å; I511-M515 VanDerWaalsContact O-CG 3.32Å; I511-M515 WeakPolarHBondContact O-CG 3.28Å; I511-M515 PolarHBondContact O-N 2.87Å; L513-M515 PolarHBondContact O-N 3.14Å; M515-A518 PolarHBondContact O-N 3.34Å; M515-H519 WeakPolarHBondContact O-CB 3.42Å; M515-H519 PolarHBondContact O-N 2.73Å |
| 516 | S | 94.3 | Very high | 93.8 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -47.4 | -178.7 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | G512 L513 A518 H519 Y520 | G512-S516 WeakPolarHBondContact O-CB 3.33Å; G512-S516 PolarHBondContact O-N 2.93Å; G512-S516 PolarHBondContact O-OG 3.32Å; L513-S516 PolarHBondContact O-N 3.43Å; S516-A518 PolarHBondContact O-N 3.19Å; S516-H519 PolarHBondContact O-N 3.39Å; S516-Y520 VanDerWaalsContact O-CD2 3.25Å; S516-Y520 WeakPolarHBondContact O-CD2 3.45Å; S516-Y520 PolarHBondContact O-N 3.21Å |
| 517 | K | 95.1 | Very high | 93 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 176.7 | -71.7 | -176.2 | -172.1 | -162.7 | 0 | 111.4 | L513 H519 Y520 E521 L562 F565 D566 E569 | L513-K517 WeakPolarHBondContact O-CB 3.44Å; L513-K517 VanDerWaalsContact O-CG 3.32Å; L513-K517 WeakPolarHBondContact O-CG 3.39Å; L513-K517 PolarHBondContact O-N 3.31Å; K517-H519 VanDerWaalsContact C-N 3.3Å; K517-H519 PolarHBondContact O-N 3.36Å; K517-Y520 PolarHBondContact O-N 3.05Å; K517-E521 VanDerWaalsContact O-CB 3.29Å; K517-E521 WeakPolarHBondContact O-CB 3.36Å; K517-E521 VanDerWaalsContact O-CG 3.24Å; K517-E521 WeakPolarHBondContact O-CG 3.44Å; K517-E521 PolarHBondContact O-N 3.25Å; K517-L562 HydrophobicContact CB-CD2 4.46Å; K517-L562 HydrophobicContact CG-CD2 4.4Å; K517-F565 HydrophobicContact CD-CB 4.36Å; K517-F565 HydrophobicContact CG-CB 3.85Å; K517-F565 HydrophobicContact CG-CD2 3.95Å; K517-F565 HydrophobicContact CG-CG 4.3Å; K517-D566 WeakPolarHBondContact CE-OD1 3.45Å; K517-D566 IonicContact NZ-OD1 2.57Å; K517-D566 PolarHBondContact NZ-OD1 3.4Å; K517-E569 IonicContact NZ-OE1 3.64Å; K517-E569 IonicContact NZ-OE2 2.74Å; K517-E569 PolarHBondContact NZ-OE2 3.23Å |
| 518 | A | 94 | Very high | 92.3 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N514 M515 S516 A522 | N514-A518 VanDerWaalsContact O-CB 3.26Å; N514-A518 WeakPolarHBondContact O-CB 3.2Å; N514-A518 PolarHBondContact O-N 3.28Å; M515-A518 PolarHBondContact O-N 3.34Å; S516-A518 PolarHBondContact O-N 3.19Å; A518-A522 VanDerWaalsContact O-CB 3.27Å; A518-A522 WeakPolarHBondContact O-CB 3.41Å; A518-A522 PolarHBondContact O-N 3.29Å |
| 519 | H | 92.4 | Very high | 91.4 | Very high | 106 Ų | 106 | 55.5 Ų | 55.5 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.8 | -52.2 | 176.2 | 176.6 | -94.9 | 0 | 0 | 0 | 112 | M515 S516 K517 A522 E523 | M515-H519 WeakPolarHBondContact O-CB 3.42Å; M515-H519 PolarHBondContact O-N 2.73Å; S516-H519 PolarHBondContact O-N 3.39Å; K517-H519 VanDerWaalsContact C-N 3.3Å; K517-H519 PolarHBondContact O-N 3.36Å; H519-A522 PolarHBondContact O-N 2.94Å; H519-E523 WeakPolarHBondContact O-CB 3.38Å; H519-E523 PolarHBondContact O-N 3.3Å |
| 520 | Y | 92.4 | Very high | 90.1 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 9% | 0.09 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.8 | -35.3 | -177.3 | -82.8 | -103.1 | 0 | 0 | 0 | 112.8 | L465 S516 K517 E523 I524 V541 L558 A561 F565 | L465-Y520 HydrophobicContact CD1-CE1 4.18Å; L465-Y520 WeakPolarHBondContact CD1-OH 3.24Å; S516-Y520 VanDerWaalsContact O-CD2 3.25Å; S516-Y520 WeakPolarHBondContact O-CD2 3.45Å; S516-Y520 PolarHBondContact O-N 3.21Å; K517-Y520 PolarHBondContact O-N 3.05Å; Y520-E523 PolarHBondContact O-N 3.04Å; Y520-I524 WeakPolarHBondContact O-CB 3.34Å; Y520-I524 WeakPolarHBondContact O-CD1 3.46Å; Y520-I524 VanDerWaalsContact O-CG1 3.24Å; Y520-I524 WeakPolarHBondContact O-CG1 3.4Å; Y520-I524 PolarHBondContact O-N 3.5Å; Y520-V541 WeakPolarHBondContact OH-CG1 3.2Å; Y520-L558 HydrophobicContact CD1-CB 4.41Å; Y520-L558 HydrophobicContact CD1-CD2 3.58Å; Y520-L558 HydrophobicContact CE1-CD2 3.76Å; Y520-A561 HydrophobicContact CD1-CB 3.65Å; Y520-A561 HydrophobicContact CE1-CB 3.52Å; Y520-A561 HydrophobicContact CG-CB 4.45Å; Y520-F565 AromaticContact CD2-CE2 3.77Å; Y520-F565 HydrophobicContact CD2-CE2 3.77Å; Y520-F565 HydrophobicContact CD2-CZ 4.17Å; Y520-F565 HydrophobicContact CE2-CE2 4.1Å; Y520-F565 HydrophobicContact CE2-CZ 4.02Å; Y520-F565 HydrophobicContact CG-CE2 4.09Å |
| 521 | E | 93.2 | Very high | 88.6 | Confident | 111 Ų | 111 | 58.5 Ų | 58.5 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 173.1 | -74.2 | 175.6 | 177.1 | 0 | 0 | 112 | K517 E523 I524 K525 L562 | K517-E521 VanDerWaalsContact O-CB 3.29Å; K517-E521 WeakPolarHBondContact O-CB 3.36Å; K517-E521 VanDerWaalsContact O-CG 3.24Å; K517-E521 WeakPolarHBondContact O-CG 3.44Å; K517-E521 PolarHBondContact O-N 3.25Å; E521-E523 VanDerWaalsContact C-N 3.35Å; E521-I524 PolarHBondContact O-N 3.35Å; E521-K525 WeakPolarHBondContact O-CB 3.22Å; E521-K525 PolarHBondContact O-N 3.48Å; E521-L562 HydrophobicContact CG-CD1 4.01Å; E521-L562 HydrophobicContact CG-CD2 4.16Å |
| 522 | A | 91.1 | Very high | 87 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A518 H519 I524 K525 N526 | A518-A522 VanDerWaalsContact O-CB 3.27Å; A518-A522 WeakPolarHBondContact O-CB 3.41Å; A518-A522 PolarHBondContact O-N 3.29Å; H519-A522 PolarHBondContact O-N 2.94Å; A522-I524 PolarHBondContact O-N 2.96Å; A522-K525 PolarHBondContact O-N 2.91Å; A522-N526 WeakPolarHBondContact O-CB 3.49Å; A522-N526 PolarHBondContact O-N 3.11Å; A522-N526 PolarHBondContact O-ND2 3.44Å |
| 523 | E | 88.1 | Confident | 85.1 | Confident | 46 Ų | 46 | 66 Ų | 66 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 178.7 | -168 | 57 | -151.8 | 0 | 0 | 112.4 | H519 Y520 E521 N526 S527 I539 L558 | H519-E523 WeakPolarHBondContact O-CB 3.38Å; H519-E523 PolarHBondContact O-N 3.3Å; Y520-E523 PolarHBondContact O-N 3.04Å; E521-E523 VanDerWaalsContact C-N 3.35Å; E523-N526 PolarHBondContact O-N 3.09Å; E523-S527 VanDerWaalsContact O-CB 3.23Å; E523-S527 WeakPolarHBondContact O-CB 3.31Å; E523-S527 PolarHBondContact O-N 3.35Å; E523-S527 PolarHBondContact O-OG 3.45Å; E523-I539 HydrophobicContact CG-CG2 4.47Å; E523-L558 HydrophobicContact CB-CD1 4.39Å; E523-L558 HydrophobicContact CG-CD1 3.97Å; E523-L558 HydrophobicContact CG-CD2 4.41Å |
| 524 | I | 88.6 | Confident | 83 | Confident | 12 Ų | 12 | 75.3 Ų | 75.3 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 172.6 | -73.2 | 165 | 0 | 0 | 0 | 110.6 | Y520 E521 A522 S527 Q528 L555 L558 L562 | Y520-I524 WeakPolarHBondContact O-CB 3.34Å; Y520-I524 WeakPolarHBondContact O-CD1 3.46Å; Y520-I524 VanDerWaalsContact O-CG1 3.24Å; Y520-I524 WeakPolarHBondContact O-CG1 3.4Å; Y520-I524 PolarHBondContact O-N 3.5Å; E521-I524 PolarHBondContact O-N 3.35Å; A522-I524 PolarHBondContact O-N 2.96Å; I524-S527 PolarHBondContact O-N 3.11Å; I524-Q528 HydrophobicContact CG2-CG 4.46Å; I524-Q528 WeakPolarHBondContact O-CB 3.38Å; I524-Q528 VanDerWaalsContact O-CG 3.24Å; I524-Q528 WeakPolarHBondContact O-CG 3.3Å; I524-Q528 PolarHBondContact O-N 3Å; I524-L555 HydrophobicContact CB-CD2 4.44Å; I524-L555 HydrophobicContact CG1-CD2 4.43Å; I524-L555 HydrophobicContact CG2-CD2 4.09Å; I524-L558 HydrophobicContact CD1-CB 3.86Å; I524-L558 HydrophobicContact CG1-CB 3.55Å; I524-L558 HydrophobicContact CG1-CD1 3.77Å; I524-L558 HydrophobicContact CG1-CG 4.31Å; I524-L562 HydrophobicContact CD1-CD1 3.52Å; I524-L562 HydrophobicContact CD1-CG 4.27Å |
| 525 | K | 88.8 | Confident | 80.8 | Confident | 124 Ų | 124 | 76.8 Ų | 76.8 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 179.9 | -173.7 | -176.4 | 174.2 | -171.2 | 0 | 111.3 | E521 A522 S527 Q528 E529 | E521-K525 WeakPolarHBondContact O-CB 3.22Å; E521-K525 PolarHBondContact O-N 3.48Å; A522-K525 PolarHBondContact O-N 2.91Å; K525-S527 PolarHBondContact O-N 3.28Å; K525-Q528 PolarHBondContact O-N 3.44Å; K525-E529 WeakPolarHBondContact CE-OE1 3.43Å; K525-E529 WeakPolarHBondContact O-CG 3.43Å; K525-E529 PolarHBondContact O-N 2.91Å |
| 526 | N | 85.1 | Confident | 78.4 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 47% | 0.465 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 177 | -67.7 | -16.4 | 0 | 0 | 0 | 111.4 | A522 E523 Q528 E529 A530 | A522-N526 WeakPolarHBondContact O-CB 3.49Å; A522-N526 PolarHBondContact O-N 3.11Å; A522-N526 PolarHBondContact O-ND2 3.44Å; E523-N526 PolarHBondContact O-N 3.09Å; N526-Q528 PolarHBondContact O-N 2.97Å; N526-E529 PolarHBondContact O-N 3.42Å; N526-A530 WeakPolarHBondContact O-CB 3.49Å; N526-A530 PolarHBondContact O-N 3.24Å |
| 527 | S | 80.8 | Confident | 76.3 | Confident | 2 Ų | 2 | 81.7 Ų | 81.7 | 1% | 0.014 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.2 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | E523 I524 K525 Q531 | E523-S527 VanDerWaalsContact O-CB 3.23Å; E523-S527 WeakPolarHBondContact O-CB 3.31Å; E523-S527 PolarHBondContact O-N 3.35Å; E523-S527 PolarHBondContact O-OG 3.45Å; I524-S527 PolarHBondContact O-N 3.11Å; K525-S527 PolarHBondContact O-N 3.28Å; S527-Q531 WeakPolarHBondContact O-CB 3.47Å; S527-Q531 VanDerWaalsContact O-CG 3.23Å; S527-Q531 WeakPolarHBondContact O-CG 3.47Å; S527-Q531 PolarHBondContact O-N 3.47Å |
| 528 | Q | 81.6 | Confident | 74.1 | Confident | 82 Ų | 82 | 85.4 Ų | 85.4 | 38% | 0.383 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.9 | -32.5 | 176 | -71.8 | 173.6 | 5.5 | 0 | 0 | 112.7 | I524 K525 N526 K532 L555 | I524-Q528 HydrophobicContact CG2-CG 4.46Å; I524-Q528 WeakPolarHBondContact O-CB 3.38Å; I524-Q528 VanDerWaalsContact O-CG 3.24Å; I524-Q528 WeakPolarHBondContact O-CG 3.3Å; I524-Q528 PolarHBondContact O-N 3Å; K525-Q528 PolarHBondContact O-N 3.44Å; N526-Q528 PolarHBondContact O-N 2.97Å; Q528-K532 WeakPolarHBondContact O-CG 3.5Å; Q528-L555 HydrophobicContact CG-CD1 4.11Å; Q528-L555 HydrophobicContact CG-CD2 4.11Å |
| 529 | E | 79 | Confident | 72.3 | Confident | 104 Ų | 104 | 83 Ų | 83 | 49% | 0.486 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74 | -41.3 | 174.8 | -72.5 | -179.9 | -172.1 | 0 | 0 | 111.6 | K525 N526 K532 S533 | K525-E529 WeakPolarHBondContact CE-OE1 3.43Å; K525-E529 WeakPolarHBondContact O-CG 3.43Å; K525-E529 PolarHBondContact O-N 2.91Å; N526-E529 PolarHBondContact O-N 3.42Å; E529-K532 WeakPolarHBondContact O-CB 3.23Å; E529-K532 PolarHBondContact O-N 3.06Å; E529-K532 VanDerWaalsContact O-N 3.14Å; E529-S533 PolarHBondContact O-N 3.26Å |
| 530 | A | 69.6 | Low | 70.3 | Confident | 27 Ų | 27 | 81.5 Ų | 81.5 | 22% | 0.223 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N526 K532 S533 K534 | N526-A530 WeakPolarHBondContact O-CB 3.49Å; N526-A530 PolarHBondContact O-N 3.24Å; A530-K532 PolarHBondContact O-N 2.86Å; A530-S533 WeakPolarHBondContact CA-OG 3.48Å; A530-S533 PolarHBondContact O-N 2.92Å; A530-S533 PolarHBondContact O-OG 2.87Å; A530-K534 PolarHBondContact O-N 3.44Å |
| 531 | Q | 65.6 | Low | 68.4 | Low | 83 Ų | 83 | 82.5 Ų | 82.5 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.6 | -27.7 | 171.8 | -78.5 | 174.2 | 20.6 | 0 | 0 | 112.7 | S527 S533 P551 L555 | S527-Q531 WeakPolarHBondContact O-CB 3.47Å; S527-Q531 VanDerWaalsContact O-CG 3.23Å; S527-Q531 WeakPolarHBondContact O-CG 3.47Å; S527-Q531 PolarHBondContact O-N 3.47Å; Q531-S533 VanDerWaalsContact C-N 3.35Å; Q531-P551 HydrophobicContact CG-CB 3.91Å; Q531-P551 PolarHBondContact NE2-O 3.3Å; Q531-L555 VanDerWaalsContact NE2-CD1 3.33Å |
| 532 | K | 62.8 | Low | 66.2 | Low | 175 Ų | 175 | 80.8 Ų | 80.8 | 76% | 0.761 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -76.4 | -22 | 173.5 | -66.3 | 169.7 | -173.5 | 170.9 | 0 | 112.4 | Q528 E529 A530 | Q528-K532 WeakPolarHBondContact O-CG 3.5Å; E529-K532 WeakPolarHBondContact O-CB 3.23Å; E529-K532 PolarHBondContact O-N 3.06Å; E529-K532 VanDerWaalsContact O-N 3.14Å; A530-K532 PolarHBondContact O-N 2.86Å |
| 533 | S | 56.7 | Low | 64.3 | Low | 71 Ų | 71 | 82 Ų | 82 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -98.8 | -4.8 | -178.8 | 66.2 | 0 | 0 | 0 | 0 | 115.7 | E529 A530 Q531 | E529-S533 PolarHBondContact O-N 3.26Å; A530-S533 WeakPolarHBondContact CA-OG 3.48Å; A530-S533 PolarHBondContact O-N 2.92Å; A530-S533 PolarHBondContact O-OG 2.87Å; Q531-S533 VanDerWaalsContact C-N 3.35Å |
| 534 | K | 53.6 | Low | 62.1 | Low | 195 Ų | 195 | 87.2 Ų | 87.2 | 85% | 0.848 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 30.1 | 178.6 | -67.8 | -171.5 | 176.3 | -178.5 | 0 | 116.1 | A530 | A530-K534 PolarHBondContact O-N 3.44Š|
| 535 | D | 48.6 | Very low | 60.5 | Low | 122 Ų | 122 | 94.2 Ų | 94.2 | 65% | 0.652 | 52% | 0.52 | S | S | * | . | trans | -96.7 | 142.6 | 170.2 | -68.3 | -40 | 0 | 0 | 0 | 111.4 | C537 | D535-C537 PolarHBondContact O-N 2.88Š| ||
| 536 | L | 46.1 | Very low | 58.9 | Low | 177 Ų | 177 | 90.2 Ų | 90.2 | 93% | 0.927 | 50% | 0.504 | S | S | * | . | trans | -65.1 | 113 | 177.6 | -87.3 | 143.4 | 0 | 0 | 0 | 109.8 | ||||
| 537 | C | 48.8 | Very low | 57.3 | Low | 47 Ų | 47 | 90.6 Ų | 90.6 | 32% | 0.318 | 51% | 0.511 | S | S | . | . | trans | -91 | 109.9 | -179.8 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | D535 | D535-C537 PolarHBondContact O-N 2.88Š| ||
| 538 | S | 50.3 | Low | 56.2 | Low | 97 Ų | 97 | 98.4 Ų | 98.4 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | trans | -88.6 | 117.2 | 164.2 | 54.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 539 | I | 54.5 | Low | 55.3 | Low | 4 Ų | 4 | 97.8 Ų | 97.8 | 2% | 0.021 | 55% | 0.55 | C | S | . | * | trans | -103 | 131.9 | -179.5 | -58.1 | 173.3 | 0 | 0 | 0 | 108.5 | E523 V541 I546 Q554 | E523-I539 HydrophobicContact CG-CG2 4.47Å; I539-V541 HydrophobicContact CG2-CG2 4.3Å; I539-I546 HydrophobicContact CB-CD1 4.12Å; I539-I546 HydrophobicContact CG2-CD1 3.88Å; I539-I546 PolarHBondContact O-N 2.82Å; I539-Q554 HydrophobicContact CD1-CB 3.74Å; I539-Q554 HydrophobicContact CD1-CG 4.02Å; I539-Q554 VanDerWaalsContact CD1-OE1 3.3Å | ||
| 540 | T | 51.1 | Low | 55 | Low | 75 Ų | 75 | 96.3 Ų | 96.3 | 46% | 0.46 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.9 | 175 | -41 | 0 | 0 | 0 | 0 | 108.8 | E544 | T540-E544 WeakPolarHBondContact CA-O 3.48Å; T540-E544 WeakPolarHBondContact CG2-O 3.49Å |
| 541 | V | 53.5 | Low | 55 | Low | 45 Ų | 45 | 98.2 Ų | 98.2 | 27% | 0.273 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.7 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 107.7 | Y520 I539 G543 E544 I546 | Y520-V541 WeakPolarHBondContact OH-CG1 3.2Å; I539-V541 HydrophobicContact CG2-CG2 4.3Å; V541-G543 PolarHBondContact O-N 3.02Å; V541-G543 VanDerWaalsContact O-N 3.14Å; V541-E544 PolarHBondContact N-O 3.34Å; V541-E544 VanDerWaalsContact N-O 3.13Å; V541-E544 PolarHBondContact O-N 3.25Å; V541-I546 HydrophobicContact CB-CD1 4.39Å; V541-I546 HydrophobicContact CG2-CD1 3.75Å; V541-I546 HydrophobicContact CG2-CG1 4.37Å |
| 542 | G | 46 | Very low | 55.4 | Low | 75 Ų | 75 | 100.2 Ų | 100.2 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.7 | 18.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 543 | G | 50.3 | Low | 56.1 | Low | 71 Ų | 71 | 96.9 Ų | 96.9 | 73% | 0.732 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.1 | -1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V541 | V541-G543 PolarHBondContact O-N 3.02Å; V541-G543 VanDerWaalsContact O-N 3.14Å |
| 544 | E | 43.7 | Very low | 57 | Low | 157 Ų | 157 | 94.1 Ų | 94.1 | 73% | 0.734 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.6 | 174.8 | -64.5 | -170.6 | 164.1 | 0 | 0 | 111.7 | T540 V541 | T540-E544 WeakPolarHBondContact CA-O 3.48Å; T540-E544 WeakPolarHBondContact CG2-O 3.49Å; V541-E544 PolarHBondContact N-O 3.34Å; V541-E544 VanDerWaalsContact N-O 3.13Å; V541-E544 PolarHBondContact O-N 3.25Å |
| 545 | E | 53 | Low | 58.4 | Low | 159 Ų | 159 | 85.8 Ų | 85.8 | 74% | 0.743 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.8 | 175.9 | -69.4 | -174.4 | 172.7 | 0 | 0 | 110.1 | ||
| 546 | I | 55.2 | Low | 60.2 | Low | 39 Ų | 39 | 86 Ų | 86 | 20% | 0.2 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 135.8 | 175.9 | -58.4 | 179 | 0 | 0 | 0 | 108.8 | I539 V541 M549 | I539-I546 HydrophobicContact CB-CD1 4.12Å; I539-I546 HydrophobicContact CG2-CD1 3.88Å; I539-I546 PolarHBondContact O-N 2.82Å; V541-I546 HydrophobicContact CB-CD1 4.39Å; V541-I546 HydrophobicContact CG2-CD1 3.75Å; V541-I546 HydrophobicContact CG2-CG1 4.37Å; I546-M549 HydrophobicContact CG2-CE 3.26Å |
| 547 | P | 53.3 | Low | 62.1 | Low | 96 Ų | 96 | 81.1 Ų | 81.1 | 62% | 0.623 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 145.4 | 175 | 20.7 | -31.5 | 0 | 0 | 0 | 111.4 | M549 | P547-M549 HydrophobicContact CG-CE 4.36Å; P547-M549 WeakPolarHBondContact O-CG 3.48Å; P547-M549 PolarHBondContact O-N 3.38Å |
| 548 | N | 56 | Low | 64 | Low | 165 Ų | 165 | 79 Ų | 79 | 88% | 0.882 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -51.6 | 95.3 | -178 | -90.5 | -26.4 | 0 | 0 | 0 | 111.9 | ||
| 549 | M | 63.1 | Low | 65.9 | Low | 69 Ų | 69 | 78 Ų | 78 | 34% | 0.34 | 44% | 0.444 | S | S | . | . | trans | -113.1 | 152.2 | 177.8 | -78.7 | -168.1 | -82.1 | 0 | 0 | 110.1 | I546 P547 Q554 | I546-M549 HydrophobicContact CG2-CE 3.26Å; P547-M549 HydrophobicContact CG-CE 4.36Å; P547-M549 WeakPolarHBondContact O-CG 3.48Å; P547-M549 PolarHBondContact O-N 3.38Å; M549-Q554 HydrophobicContact CB-CG 4.3Å | ||
| 550 | P | 73.6 | Confident | 67.7 | Low | 73 Ų | 73 | 81 Ų | 81 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | trans | -56.1 | 142.8 | 174.2 | -23.4 | 33.2 | 0 | 0 | 0 | 111.6 | E552 M553 Q554 | P550-E552 PolarHBondContact O-N 2.88Å; P550-E552 VanDerWaalsContact O-N 3.08Å; P550-M553 HydrophobicContact CG-SD 4.3Å; P550-M553 WeakPolarHBondContact O-CB 3.4Å; P550-M553 PolarHBondContact O-N 3.32Å; P550-Q554 PolarHBondContact O-N 3.48Å | ||
| 551 | P | 69 | Low | 69.7 | Low | 67 Ų | 67 | 77.7 Ų | 77.7 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.9 | -28.5 | -175.5 | -24.3 | 32.3 | 0 | 0 | 0 | 114.6 | Q531 L555 | Q531-P551 HydrophobicContact CG-CB 3.91Å; Q531-P551 PolarHBondContact NE2-O 3.3Å; P551-L555 PolarHBondContact O-N 2.94Å |
| 552 | E | 74.6 | Confident | 71.7 | Confident | 125 Ų | 125 | 76.5 Ų | 76.5 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.7 | -35.9 | 175.8 | -163.7 | -162.9 | 142.2 | 0 | 0 | 112.4 | P550 K556 | P550-E552 PolarHBondContact O-N 2.88Å; P550-E552 VanDerWaalsContact O-N 3.08Å; E552-K556 WeakPolarHBondContact O-CG 3.41Å; E552-K556 PolarHBondContact O-N 3.14Å; E552-K556 WeakPolarHBondContact OE1-CE 3.42Å; E552-K556 IonicContact OE1-NZ 2.97Å; E552-K556 PolarHBondContact OE1-NZ 3.21Å |
| 553 | M | 77.4 | Confident | 74 | Confident | 106 Ų | 106 | 79.5 Ų | 79.5 | 52% | 0.522 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.8 | -37.2 | 176 | -71.6 | -174.4 | 175.6 | 0 | 0 | 111.1 | P550 K556 V557 | P550-M553 HydrophobicContact CG-SD 4.3Å; P550-M553 WeakPolarHBondContact O-CB 3.4Å; P550-M553 PolarHBondContact O-N 3.32Å; M553-K556 PolarHBondContact O-N 2.91Å; M553-V557 WeakPolarHBondContact O-CG2 3.4Å; M553-V557 PolarHBondContact O-N 2.75Å; M553-V557 VanDerWaalsContact O-N 3.11Å |
| 554 | Q | 74.5 | Confident | 76.2 | Confident | 12 Ų | 12 | 77.9 Ų | 77.9 | 6% | 0.056 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 174.1 | -71.5 | 176.6 | -19.6 | 0 | 0 | 111.9 | I539 M549 P550 K556 V557 L558 | I539-Q554 HydrophobicContact CD1-CB 3.74Å; I539-Q554 HydrophobicContact CD1-CG 4.02Å; I539-Q554 VanDerWaalsContact CD1-OE1 3.3Å; M549-Q554 HydrophobicContact CB-CG 4.3Å; P550-Q554 PolarHBondContact O-N 3.48Å; Q554-K556 VanDerWaalsContact C-N 3.3Å; Q554-K556 PolarHBondContact O-N 3.01Å; Q554-V557 PolarHBondContact O-N 3.42Å; Q554-V557 VanDerWaalsContact O-N 3.16Å; Q554-L558 PolarHBondContact O-N 3.36Å; Q554-L558 VanDerWaalsContact O-N 3.14Å |
| 555 | L | 83.7 | Confident | 78.7 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.9 | -39 | 175.6 | -76.9 | 174.3 | 0 | 0 | 0 | 112.6 | I524 Q528 Q531 P551 V557 L558 H559 | I524-L555 HydrophobicContact CB-CD2 4.44Å; I524-L555 HydrophobicContact CG1-CD2 4.43Å; I524-L555 HydrophobicContact CG2-CD2 4.09Å; Q528-L555 HydrophobicContact CG-CD1 4.11Å; Q528-L555 HydrophobicContact CG-CD2 4.11Å; Q531-L555 VanDerWaalsContact NE2-CD1 3.33Å; P551-L555 PolarHBondContact O-N 2.94Å; L555-V557 VanDerWaalsContact C-N 3.32Å; L555-V557 PolarHBondContact O-N 3.28Å; L555-L558 PolarHBondContact O-N 3.45Å; L555-H559 PolarHBondContact O-CD2 3.47Å; L555-H559 PolarHBondContact O-N 3.18Å |
| 556 | K | 86.4 | Confident | 80.8 | Confident | 127 Ų | 127 | 66.7 Ų | 66.7 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.1 | -37.8 | 176.6 | -74.1 | 175.5 | -173.3 | 163.8 | 0 | 112.2 | E552 M553 Q554 H559 S560 | E552-K556 WeakPolarHBondContact O-CG 3.41Å; E552-K556 PolarHBondContact O-N 3.14Å; E552-K556 WeakPolarHBondContact OE1-CE 3.42Å; E552-K556 IonicContact OE1-NZ 2.97Å; E552-K556 PolarHBondContact OE1-NZ 3.21Å; M553-K556 PolarHBondContact O-N 2.91Å; Q554-K556 VanDerWaalsContact C-N 3.3Å; Q554-K556 PolarHBondContact O-N 3.01Å; K556-H559 PolarHBondContact O-N 3.37Å; K556-S560 PolarHBondContact O-N 3.14Å |
| 557 | V | 85.9 | Confident | 82.8 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | M553 Q554 L555 H559 S560 A561 | M553-V557 WeakPolarHBondContact O-CG2 3.4Å; M553-V557 PolarHBondContact O-N 2.75Å; M553-V557 VanDerWaalsContact O-N 3.11Å; Q554-V557 PolarHBondContact O-N 3.42Å; Q554-V557 VanDerWaalsContact O-N 3.16Å; L555-V557 VanDerWaalsContact C-N 3.32Å; L555-V557 PolarHBondContact O-N 3.28Å; V557-H559 VanDerWaalsContact C-N 3.35Å; V557-H559 PolarHBondContact O-N 3.31Å; V557-S560 WeakPolarHBondContact O-CB 3.22Å; V557-S560 PolarHBondContact O-N 2.96Å; V557-S560 VanDerWaalsContact O-N 3.14Å; V557-A561 PolarHBondContact O-N 3.27Å; V557-A561 VanDerWaalsContact O-N 3.12Å |
| 558 | L | 87.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 177.2 | -62.8 | 175 | 0 | 0 | 0 | 112.1 | Y520 E523 I524 Q554 L555 S560 A561 L562 | Y520-L558 HydrophobicContact CD1-CB 4.41Å; Y520-L558 HydrophobicContact CD1-CD2 3.58Å; Y520-L558 HydrophobicContact CE1-CD2 3.76Å; E523-L558 HydrophobicContact CB-CD1 4.39Å; E523-L558 HydrophobicContact CG-CD1 3.97Å; E523-L558 HydrophobicContact CG-CD2 4.41Å; I524-L558 HydrophobicContact CD1-CB 3.86Å; I524-L558 HydrophobicContact CG1-CB 3.55Å; I524-L558 HydrophobicContact CG1-CD1 3.77Å; I524-L558 HydrophobicContact CG1-CG 4.31Å; Q554-L558 PolarHBondContact O-N 3.36Å; Q554-L558 VanDerWaalsContact O-N 3.14Å; L555-L558 PolarHBondContact O-N 3.45Å; L558-S560 VanDerWaalsContact C-N 3.33Å; L558-S560 PolarHBondContact O-N 3.39Å; L558-A561 WeakPolarHBondContact O-CB 3.35Å; L558-A561 PolarHBondContact O-N 3.46Å; L558-L562 PolarHBondContact O-N 3.16Å |
| 559 | H | 91.4 | Very high | 86.9 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 34% | 0.343 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 173.8 | -80.3 | -62.1 | 0 | 0 | 0 | 112.7 | L555 K556 V557 A561 L562 F563 | L555-H559 PolarHBondContact O-CD2 3.47Å; L555-H559 PolarHBondContact O-N 3.18Å; K556-H559 PolarHBondContact O-N 3.37Å; V557-H559 VanDerWaalsContact C-N 3.35Å; V557-H559 PolarHBondContact O-N 3.31Å; H559-A561 VanDerWaalsContact C-N 3.26Å; H559-A561 PolarHBondContact O-N 3.06Å; H559-L562 PolarHBondContact O-N 2.78Å; H559-F563 HydrophobicContact CB-CE2 4.45Å; H559-F563 VanDerWaalsContact O-CD2 3.23Å; H559-F563 WeakPolarHBondContact O-CD2 3.44Å; H559-F563 WeakPolarHBondContact O-CG 3.46Å; H559-F563 PolarHBondContact O-N 2.81Å; H559-F563 VanDerWaalsContact O-N 3.14Å |
| 560 | S | 92.4 | Very high | 88.5 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 174.1 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | K556 V557 L558 F563 T564 | K556-S560 PolarHBondContact O-N 3.14Å; V557-S560 WeakPolarHBondContact O-CB 3.22Å; V557-S560 PolarHBondContact O-N 2.96Å; V557-S560 VanDerWaalsContact O-N 3.14Å; L558-S560 VanDerWaalsContact C-N 3.33Å; L558-S560 PolarHBondContact O-N 3.39Å; S560-F563 PolarHBondContact O-N 3.14Å; S560-T564 PolarHBondContact O-N 3.46Å; S560-T564 PolarHBondContact O-OG1 3.2Å |
| 561 | A | 92.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 5% | 0.05 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L465 Y520 V557 L558 H559 F563 T564 F565 | L465-A561 HydrophobicContact CD1-CB 3.61Å; L465-A561 HydrophobicContact CD2-CB 3.73Å; L465-A561 HydrophobicContact CG-CB 4.26Å; Y520-A561 HydrophobicContact CD1-CB 3.65Å; Y520-A561 HydrophobicContact CE1-CB 3.52Å; Y520-A561 HydrophobicContact CG-CB 4.45Å; V557-A561 PolarHBondContact O-N 3.27Å; V557-A561 VanDerWaalsContact O-N 3.12Å; L558-A561 WeakPolarHBondContact O-CB 3.35Å; L558-A561 PolarHBondContact O-N 3.46Å; H559-A561 VanDerWaalsContact C-N 3.26Å; H559-A561 PolarHBondContact O-N 3.06Å; A561-F563 VanDerWaalsContact C-N 3.32Å; A561-F563 PolarHBondContact O-N 3.11Å; A561-T564 WeakPolarHBondContact O-CB 3.25Å; A561-T564 PolarHBondContact O-N 3.26Å; A561-T564 VanDerWaalsContact O-N 3.11Å; A561-F565 HydrophobicContact CB-CE2 4.29Å; A561-F565 HydrophobicContact CB-CZ 4.42Å; A561-F565 WeakPolarHBondContact O-CD2 3.32Å; A561-F565 WeakPolarHBondContact O-CG 3.4Å; A561-F565 PolarHBondContact O-N 3.2Å; A561-F565 VanDerWaalsContact O-N 3.09Å |
| 562 | L | 94.6 | Very high | 91.1 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 176.8 | -68.1 | -176.8 | 0 | 0 | 0 | 112.3 | K517 E521 I524 L558 H559 T564 F565 D566 | K517-L562 HydrophobicContact CB-CD2 4.46Å; K517-L562 HydrophobicContact CG-CD2 4.4Å; E521-L562 HydrophobicContact CG-CD1 4.01Å; E521-L562 HydrophobicContact CG-CD2 4.16Å; I524-L562 HydrophobicContact CD1-CD1 3.52Å; I524-L562 HydrophobicContact CD1-CG 4.27Å; L558-L562 PolarHBondContact O-N 3.16Å; H559-L562 PolarHBondContact O-N 2.78Å; L562-T564 VanDerWaalsContact C-N 3.28Å; L562-T564 PolarHBondContact O-N 3.36Å; L562-F565 HydrophobicContact CD2-CD2 4.09Å; L562-F565 PolarHBondContact O-N 2.92Å; L562-F565 VanDerWaalsContact O-N 3.11Å; L562-D566 PolarHBondContact O-N 2.88Å |
| 563 | F | 95.3 | Very high | 92.1 | Very high | 138 Ų | 138 | 50.1 Ų | 50.1 | 61% | 0.605 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61 | -37.2 | 175.7 | -63.7 | -42.9 | 0 | 0 | 0 | 112.7 | H559 S560 A561 L567 | H559-F563 HydrophobicContact CB-CE2 4.45Å; H559-F563 VanDerWaalsContact O-CD2 3.23Å; H559-F563 WeakPolarHBondContact O-CD2 3.44Å; H559-F563 WeakPolarHBondContact O-CG 3.46Å; H559-F563 PolarHBondContact O-N 2.81Å; H559-F563 VanDerWaalsContact O-N 3.14Å; S560-F563 PolarHBondContact O-N 3.14Å; A561-F563 VanDerWaalsContact C-N 3.32Å; A561-F563 PolarHBondContact O-N 3.11Å; F563-L567 WeakPolarHBondContact O-CB 3.32Å; F563-L567 PolarHBondContact O-N 3.22Å |
| 564 | T | 95.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.2 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | L465 S560 A561 L562 L567 I568 | L465-T564 HydrophobicContact CD2-CG2 4.09Å; S560-T564 PolarHBondContact O-N 3.46Å; S560-T564 PolarHBondContact O-OG1 3.2Å; A561-T564 WeakPolarHBondContact O-CB 3.25Å; A561-T564 PolarHBondContact O-N 3.26Å; A561-T564 VanDerWaalsContact O-N 3.11Å; L562-T564 VanDerWaalsContact C-N 3.28Å; L562-T564 PolarHBondContact O-N 3.36Å; T564-L567 PolarHBondContact O-N 3.21Å; T564-I568 HydrophobicContact CG2-CD1 4.19Å; T564-I568 WeakPolarHBondContact O-CG1 3.44Å; T564-I568 PolarHBondContact O-N 3.14Å |
| 565 | F | 97.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -42.6 | 177.3 | -55.5 | -34.1 | 0 | 0 | 0 | 112.5 | L464 L465 L513 K517 Y520 A561 L562 L567 I568 E569 | L464-F565 HydrophobicContact CB-CD1 4.21Å; L464-F565 HydrophobicContact CB-CE1 3.82Å; L465-F565 HydrophobicContact CD1-CZ 4.22Å; L465-F565 HydrophobicContact CD2-CD1 4.28Å; L465-F565 HydrophobicContact CD2-CE1 3.5Å; L465-F565 HydrophobicContact CD2-CZ 3.72Å; L465-F565 HydrophobicContact CG-CE1 3.7Å; L465-F565 HydrophobicContact CG-CZ 3.71Å; L513-F565 HydrophobicContact CD2-CB 3.88Å; L513-F565 HydrophobicContact CD2-CD1 4.34Å; L513-F565 HydrophobicContact CD2-CG 4.42Å; K517-F565 HydrophobicContact CD-CB 4.36Å; K517-F565 HydrophobicContact CG-CB 3.85Å; K517-F565 HydrophobicContact CG-CD2 3.95Å; K517-F565 HydrophobicContact CG-CG 4.3Å; Y520-F565 AromaticContact CD2-CE2 3.77Å; Y520-F565 HydrophobicContact CD2-CE2 3.77Å; Y520-F565 HydrophobicContact CD2-CZ 4.17Å; Y520-F565 HydrophobicContact CE2-CE2 4.1Å; Y520-F565 HydrophobicContact CE2-CZ 4.02Å; Y520-F565 HydrophobicContact CG-CE2 4.09Å; A561-F565 HydrophobicContact CB-CE2 4.29Å; A561-F565 HydrophobicContact CB-CZ 4.42Å; A561-F565 WeakPolarHBondContact O-CD2 3.32Å; A561-F565 WeakPolarHBondContact O-CG 3.4Å; A561-F565 PolarHBondContact O-N 3.2Å; A561-F565 VanDerWaalsContact O-N 3.09Å; L562-F565 HydrophobicContact CD2-CD2 4.09Å; L562-F565 PolarHBondContact O-N 2.92Å; L562-F565 VanDerWaalsContact O-N 3.11Å; F565-L567 VanDerWaalsContact C-N 3.29Å; F565-L567 PolarHBondContact O-N 3.12Å; F565-I568 PolarHBondContact O-N 2.76Å; F565-E569 WeakPolarHBondContact O-CB 3.13Å; F565-E569 PolarHBondContact O-N 2.65Å |
| 566 | D | 96.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 174.6 | -73.5 | -19.7 | 0 | 0 | 0 | 111.7 | K517 L562 E569 S570 | K517-D566 WeakPolarHBondContact CE-OD1 3.45Å; K517-D566 IonicContact NZ-OD1 2.57Å; K517-D566 PolarHBondContact NZ-OD1 3.4Å; L562-D566 PolarHBondContact O-N 2.88Å; D566-E569 PolarHBondContact O-N 2.55Å; D566-S570 WeakPolarHBondContact O-CB 3.49Å; D566-S570 PolarHBondContact O-N 2.57Å |
| 567 | L | 97.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 48.8 Ų | 48.8 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 175.7 | 179.8 | 61.9 | 0 | 0 | 0 | 111.3 | M472 F563 T564 F565 E569 S570 V571 | M472-L567 HydrophobicContact CE-CD1 4.23Å; M472-L567 HydrophobicContact CE-CD2 4.04Å; M472-L567 HydrophobicContact CE-CG 3.81Å; M472-L567 HydrophobicContact SD-CG 4.25Å; F563-L567 WeakPolarHBondContact O-CB 3.32Å; F563-L567 PolarHBondContact O-N 3.22Å; T564-L567 PolarHBondContact O-N 3.21Å; F565-L567 VanDerWaalsContact C-N 3.29Å; F565-L567 PolarHBondContact O-N 3.12Å; L567-E569 PolarHBondContact O-N 3.45Å; L567-S570 PolarHBondContact O-N 2.85Å; L567-S570 PolarHBondContact O-OG 3.34Å; L567-V571 PolarHBondContact O-N 3.13Å |
| 568 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 178.2 | -64.7 | 166.2 | 0 | 0 | 0 | 110.4 | I471 M472 L475 L509 L513 T564 F565 S570 V571 L572 | I471-I568 HydrophobicContact CG2-CG2 3.86Å; M472-I568 HydrophobicContact CG-CG1 4.06Å; M472-I568 HydrophobicContact SD-CB 4.39Å; M472-I568 HydrophobicContact SD-CG1 3.87Å; L475-I568 HydrophobicContact CD1-CG2 3.89Å; L509-I568 HydrophobicContact CD1-CG2 4.41Å; L509-I568 HydrophobicContact CD2-CG2 4.26Å; L513-I568 HydrophobicContact CD1-CG2 4.09Å; L513-I568 HydrophobicContact CD2-CB 4.13Å; L513-I568 HydrophobicContact CD2-CG2 4.12Å; T564-I568 HydrophobicContact CG2-CD1 4.19Å; T564-I568 WeakPolarHBondContact O-CG1 3.44Å; T564-I568 PolarHBondContact O-N 3.14Å; F565-I568 PolarHBondContact O-N 2.76Å; I568-S570 VanDerWaalsContact C-N 3.32Å; I568-S570 PolarHBondContact O-N 3.49Å; I568-V571 PolarHBondContact O-N 3.23Å; I568-L572 WeakPolarHBondContact O-CB 3.2Å; I568-L572 PolarHBondContact O-N 3.01Å |
| 569 | E | 97.6 | Very high | 95.9 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 29% | 0.285 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -40.3 | -179.6 | -169.3 | 176.4 | -131.4 | 0 | 0 | 111.9 | L513 K517 F565 D566 L567 V571 L572 A573 | L513-E569 HydrophobicContact CD1-CB 4.01Å; L513-E569 HydrophobicContact CD1-CG 4.4Å; K517-E569 IonicContact NZ-OE1 3.64Å; K517-E569 IonicContact NZ-OE2 2.74Å; K517-E569 PolarHBondContact NZ-OE2 3.23Å; F565-E569 WeakPolarHBondContact O-CB 3.13Å; F565-E569 PolarHBondContact O-N 2.65Å; D566-E569 PolarHBondContact O-N 2.55Å; L567-E569 PolarHBondContact O-N 3.45Å; E569-V571 VanDerWaalsContact C-N 3.29Å; E569-V571 PolarHBondContact O-N 3.3Å; E569-L572 PolarHBondContact O-N 3.43Å; E569-A573 WeakPolarHBondContact O-CB 3.48Å; E569-A573 PolarHBondContact O-N 3.39Å |
| 570 | S | 97.5 | Very high | 95.9 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 177.7 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | D566 L567 I568 R574 | D566-S570 WeakPolarHBondContact O-CB 3.49Å; D566-S570 PolarHBondContact O-N 2.57Å; L567-S570 PolarHBondContact O-N 2.85Å; L567-S570 PolarHBondContact O-OG 3.34Å; I568-S570 VanDerWaalsContact C-N 3.32Å; I568-S570 PolarHBondContact O-N 3.49Å; S570-R574 PolarHBondContact O-N 2.88Å |
| 571 | V | 97.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 9% | 0.085 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.9 | -40.9 | 177 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | M472 L475 L567 I568 E569 R574 V575 | M472-V571 HydrophobicContact CE-CG2 3.72Å; M472-V571 HydrophobicContact SD-CB 4.48Å; M472-V571 HydrophobicContact SD-CG2 4.13Å; L475-V571 HydrophobicContact CB-CG1 3.75Å; L475-V571 HydrophobicContact CD1-CB 4.31Å; L475-V571 HydrophobicContact CD1-CG1 4.31Å; L567-V571 PolarHBondContact O-N 3.13Å; I568-V571 PolarHBondContact O-N 3.23Å; E569-V571 VanDerWaalsContact C-N 3.29Å; E569-V571 PolarHBondContact O-N 3.3Å; V571-R574 PolarHBondContact O-N 2.92Å; V571-V575 WeakPolarHBondContact O-CG2 3.24Å; V571-V575 PolarHBondContact O-N 2.74Å |
| 572 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -51.8 | 175.9 | 175.4 | 57.1 | 0 | 0 | 0 | 111.4 | L475 L506 L509 H510 L513 I568 E569 R574 V575 E576 | L475-L572 HydrophobicContact CD1-CB 4.27Å; L475-L572 HydrophobicContact CD2-CB 4.39Å; L475-L572 HydrophobicContact CD2-CD1 3.99Å; L506-L572 HydrophobicContact CB-CD1 4.27Å; L506-L572 HydrophobicContact CD2-CD1 3.54Å; L506-L572 HydrophobicContact CG-CD1 4.44Å; L509-L572 HydrophobicContact CB-CD2 4.46Å; L509-L572 HydrophobicContact CD2-CD1 4.46Å; L509-L572 HydrophobicContact CD2-CD2 4.1Å; L509-L572 HydrophobicContact CG-CD2 4.11Å; H510-L572 VanDerWaalsContact CE1-CD2 3.46Å; H510-L572 WeakPolarHBondContact CE1-CD2 3.41Å; L513-L572 HydrophobicContact CD1-CD2 3.86Å; I568-L572 WeakPolarHBondContact O-CB 3.2Å; I568-L572 PolarHBondContact O-N 3.01Å; E569-L572 PolarHBondContact O-N 3.43Å; L572-R574 PolarHBondContact O-N 3.29Å; L572-V575 WeakPolarHBondContact O-CB 3.24Å; L572-V575 PolarHBondContact O-N 2.85Å; L572-E576 HydrophobicContact CD1-CG 4.47Å; L572-E576 PolarHBondContact O-N 3.16Å |
| 573 | A | 97.1 | Very high | 95.1 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.9 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E569 E576 E577 | E569-A573 WeakPolarHBondContact O-CB 3.48Å; E569-A573 PolarHBondContact O-N 3.39Å; A573-E576 PolarHBondContact O-N 3.33Å; A573-E577 WeakPolarHBondContact O-CB 3.49Å; A573-E577 PolarHBondContact O-N 2.93Å |
| 574 | R | 97.4 | Very high | 94.3 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 33% | 0.328 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.4 | -34.6 | 176.5 | 179.8 | 56.4 | -172.3 | -179.6 | 4.8 | 113.1 | S570 V571 L572 E577 L578 | S570-R574 PolarHBondContact O-N 2.88Å; V571-R574 PolarHBondContact O-N 2.92Å; L572-R574 PolarHBondContact O-N 3.29Å; R574-E577 WeakPolarHBondContact CD-OE2 3.37Å; R574-E577 IonicContact CZ-OE1 2.81Å; R574-E577 IonicContact CZ-OE2 3.29Å; R574-E577 IonicContact NE-OE2 3.28Å; R574-E577 IonicContact NH1-OE1 3.96Å; R574-E577 PolarHBondContact NH1-OE1 3.08Å; R574-E577 IonicContact NH1-OE2 3.16Å; R574-E577 PolarHBondContact NH1-OE2 3.09Å; R574-L578 HydrophobicContact CG-CD1 4.36Å; R574-L578 WeakPolarHBondContact O-CD1 3.26Å; R574-L578 VanDerWaalsContact O-CG 3.29Å; R574-L578 WeakPolarHBondContact O-CG 3.47Å; R574-L578 PolarHBondContact O-N 3.33Å |
| 575 | V | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 175.6 | 168.8 | 0 | 0 | 0 | 0 | 110 | L478 R479 V571 L572 L578 I579 | L478-V575 HydrophobicContact CB-CG1 4.49Å; L478-V575 HydrophobicContact CD2-CG1 3.79Å; L478-V575 HydrophobicContact CG-CG1 3.9Å; R479-V575 HydrophobicContact CB-CG2 3.78Å; R479-V575 HydrophobicContact CG-CG2 4.48Å; V571-V575 WeakPolarHBondContact O-CG2 3.24Å; V571-V575 PolarHBondContact O-N 2.74Å; L572-V575 WeakPolarHBondContact O-CB 3.24Å; L572-V575 PolarHBondContact O-N 2.85Å; V575-L578 WeakPolarHBondContact O-CB 3.29Å; V575-L578 PolarHBondContact O-N 3.3Å; V575-I579 HydrophobicContact CG1-CD1 3.77Å; V575-I579 HydrophobicContact CG1-CG1 4.49Å; V575-I579 WeakPolarHBondContact O-CG1 3.49Å; V575-I579 PolarHBondContact O-N 3.48Å |
| 576 | E | 95.7 | Very high | 91.1 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 179.5 | -67.3 | -179.3 | 148.6 | 0 | 0 | 112.4 | H510 L572 A573 L578 I579 E580 | H510-E576 IonicContact CD2-OE1 4Å; H510-E576 PolarHBondContact CD2-OE1 3.18Å; H510-E576 IonicContact CE1-OE2 2.65Å; H510-E576 IonicContact NE2-OE1 2.55Å; H510-E576 PolarHBondContact NE2-OE1 3.08Å; H510-E576 IonicContact NE2-OE2 2.81Å; H510-E576 PolarHBondContact NE2-OE2 3.22Å; L572-E576 HydrophobicContact CD1-CG 4.47Å; L572-E576 PolarHBondContact O-N 3.16Å; A573-E576 PolarHBondContact O-N 3.33Å; E576-L578 VanDerWaalsContact C-N 3.27Å; E576-L578 PolarHBondContact O-N 2.98Å; E576-I579 PolarHBondContact O-N 3.5Å; E576-E580 PolarHBondContact O-N 2.96Å |
| 577 | E | 96.4 | Very high | 89.4 | Confident | 84 Ų | 84 | 51.1 Ų | 51.1 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.6 | -44.2 | 173.5 | -172.1 | -159.2 | 155.7 | 0 | 0 | 111.3 | A573 R574 E580 I581 | A573-E577 WeakPolarHBondContact O-CB 3.49Å; A573-E577 PolarHBondContact O-N 2.93Å; R574-E577 WeakPolarHBondContact CD-OE2 3.37Å; R574-E577 IonicContact CZ-OE1 2.81Å; R574-E577 IonicContact CZ-OE2 3.29Å; R574-E577 IonicContact NE-OE2 3.28Å; R574-E577 IonicContact NH1-OE1 3.96Å; R574-E577 PolarHBondContact NH1-OE1 3.08Å; R574-E577 IonicContact NH1-OE2 3.16Å; R574-E577 PolarHBondContact NH1-OE2 3.09Å; E577-E580 PolarHBondContact O-N 3.38Å; E577-I581 HydrophobicContact CG-CD1 3.93Å; E577-I581 WeakPolarHBondContact O-CB 3.24Å; E577-I581 WeakPolarHBondContact O-CD1 3.23Å; E577-I581 WeakPolarHBondContact O-CG1 3.46Å; E577-I581 PolarHBondContact O-N 3.06Å |
| 578 | L | 94.6 | Very high | 87.5 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 178.7 | -74.8 | 169.3 | 0 | 0 | 0 | 112.6 | R479 V482 I483 R574 V575 E576 E580 K582 | R479-L578 HydrophobicContact CG-CD1 3.85Å; V482-L578 HydrophobicContact CG1-CB 3.8Å; I483-L578 HydrophobicContact CD1-CD1 3.91Å; I483-L578 HydrophobicContact CG1-CD1 3.88Å; I483-L578 HydrophobicContact CG1-CD2 4.39Å; R574-L578 HydrophobicContact CG-CD1 4.36Å; R574-L578 WeakPolarHBondContact O-CD1 3.26Å; R574-L578 VanDerWaalsContact O-CG 3.29Å; R574-L578 WeakPolarHBondContact O-CG 3.47Å; R574-L578 PolarHBondContact O-N 3.33Å; V575-L578 WeakPolarHBondContact O-CB 3.29Å; V575-L578 PolarHBondContact O-N 3.3Å; E576-L578 VanDerWaalsContact C-N 3.27Å; E576-L578 PolarHBondContact O-N 2.98Å; L578-E580 VanDerWaalsContact C-N 3.35Å; L578-K582 WeakPolarHBondContact O-CB 3.41Å; L578-K582 WeakPolarHBondContact O-CG 3.47Å; L578-K582 PolarHBondContact O-N 3.27Å |
| 579 | I | 93.2 | Very high | 85.5 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 5% | 0.046 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.1 | -50 | 174.9 | -70.9 | 163.1 | 0 | 0 | 0 | 109.1 | V482 L498 L506 V575 E576 I581 K582 T583 | V482-I579 HydrophobicContact CG1-CG1 4.16Å; V482-I579 HydrophobicContact CG2-CD1 4.44Å; V482-I579 HydrophobicContact CG2-CG1 3.75Å; L498-I579 HydrophobicContact CD1-CD1 3.88Å; L498-I579 HydrophobicContact CD1-CG1 4.16Å; L498-I579 HydrophobicContact CD1-CG2 4.09Å; L498-I579 HydrophobicContact CD2-CG2 3.74Å; L498-I579 HydrophobicContact CG-CG2 4.42Å; L506-I579 HydrophobicContact CD1-CD1 4.11Å; V575-I579 HydrophobicContact CG1-CD1 3.77Å; V575-I579 HydrophobicContact CG1-CG1 4.49Å; V575-I579 WeakPolarHBondContact O-CG1 3.49Å; V575-I579 PolarHBondContact O-N 3.48Å; E576-I579 PolarHBondContact O-N 3.5Å; I579-I581 PolarHBondContact O-N 2.84Å; I579-K582 PolarHBondContact O-N 2.98Å; I579-T583 PolarHBondContact O-N 2.95Å; I579-T583 PolarHBondContact O-OG1 3.36Å |
| 580 | E | 92.1 | Very high | 83.3 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | -179.5 | -170.2 | -176.6 | -174.2 | 0 | 0 | 112.2 | E576 E577 L578 K584 | E576-E580 PolarHBondContact O-N 2.96Å; E577-E580 PolarHBondContact O-N 3.38Å; L578-E580 VanDerWaalsContact C-N 3.35Å; E580-K584 HydrophobicContact CG-CD 4.15Å; E580-K584 WeakPolarHBondContact O-CB 3.27Å; E580-K584 WeakPolarHBondContact O-CG 3.43Å; E580-K584 PolarHBondContact O-N 3.01Å; E580-K584 VanDerWaalsContact OE1-CE 3.22Å; E580-K584 WeakPolarHBondContact OE1-CE 3.38Å; E580-K584 IonicContact OE1-NZ 2.75Å; E580-K584 PolarHBondContact OE1-NZ 3.5Å |
| 581 | I | 91.1 | Very high | 81.2 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 46% | 0.456 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 179 | -71.1 | 165.6 | 0 | 0 | 0 | 111 | E577 I579 S585 | E577-I581 HydrophobicContact CG-CD1 3.93Å; E577-I581 WeakPolarHBondContact O-CB 3.24Å; E577-I581 WeakPolarHBondContact O-CD1 3.23Å; E577-I581 WeakPolarHBondContact O-CG1 3.46Å; E577-I581 PolarHBondContact O-N 3.06Å; I579-I581 PolarHBondContact O-N 2.84Å; I581-S585 WeakPolarHBondContact O-CB 3.42Å; I581-S585 PolarHBondContact O-N 2.92Å; I581-S585 PolarHBondContact O-OG 3.28Å |
| 582 | K | 87.2 | Confident | 78.9 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 22% | 0.217 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.8 | -46.4 | -177.1 | -77.8 | -74.5 | -165.5 | 168.1 | 0 | 111.5 | V482 N486 W495 L578 I579 K584 S585 T586 | V482-K582 HydrophobicContact CG1-CG 4.18Å; V482-K582 WeakPolarHBondContact O-CE 3.23Å; N486-K582 PolarHBondContact OD1-NZ 2.77Å; W495-K582 HydrophobicContact CH2-CB 3.53Å; W495-K582 HydrophobicContact CH2-CG 4.24Å; W495-K582 HydrophobicContact CZ2-CB 4.19Å; W495-K582 HydrophobicContact CZ3-CB 4.39Å; L578-K582 WeakPolarHBondContact O-CB 3.41Å; L578-K582 WeakPolarHBondContact O-CG 3.47Å; L578-K582 PolarHBondContact O-N 3.27Å; I579-K582 PolarHBondContact O-N 2.98Å; K582-K584 PolarHBondContact O-N 3.22Å; K582-S585 PolarHBondContact O-N 3.48Å; K582-S585 PolarHBondContact O-OG 2.92Å; K582-T586 PolarHBondContact O-N 3.37Å; K582-T586 PolarHBondContact O-OG1 2.87Å |
| 583 | T | 83.9 | Confident | 76.5 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 32% | 0.319 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 179.3 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | I579 S587 | I579-T583 PolarHBondContact O-N 2.95Å; I579-T583 PolarHBondContact O-OG1 3.36Å; T583-S587 PolarHBondContact O-N 2.97Å |
| 584 | K | 78.4 | Confident | 73.7 | Confident | 107 Ų | 107 | 83.4 Ų | 83.4 | 47% | 0.465 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 176 | -75.3 | -178.8 | -175.5 | 175 | 0 | 112.3 | E580 K582 T586 S587 E588 | E580-K584 HydrophobicContact CG-CD 4.15Å; E580-K584 WeakPolarHBondContact O-CB 3.27Å; E580-K584 WeakPolarHBondContact O-CG 3.43Å; E580-K584 PolarHBondContact O-N 3.01Å; E580-K584 VanDerWaalsContact OE1-CE 3.22Å; E580-K584 WeakPolarHBondContact OE1-CE 3.38Å; E580-K584 IonicContact OE1-NZ 2.75Å; E580-K584 PolarHBondContact OE1-NZ 3.5Å; K582-K584 PolarHBondContact O-N 3.22Å; K584-T586 VanDerWaalsContact C-N 3.29Å; K584-T586 PolarHBondContact O-N 2.87Å; K584-S587 PolarHBondContact O-N 3.23Å; K584-S587 VanDerWaalsContact O-N 3.13Å; K584-S587 PolarHBondContact O-OG 3.46Å; K584-E588 PolarHBondContact O-N 3.04Å; K584-E588 VanDerWaalsContact O-N 3.09Å |
| 585 | S | 67 | Low | 72.5 | Confident | 50 Ų | 50 | 83.2 Ų | 83.2 | 35% | 0.35 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 178.5 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | I581 K582 E588 E589 | I581-S585 WeakPolarHBondContact O-CB 3.42Å; I581-S585 PolarHBondContact O-N 2.92Å; I581-S585 PolarHBondContact O-OG 3.28Å; K582-S585 PolarHBondContact O-N 3.48Å; K582-S585 PolarHBondContact O-OG 2.92Å; S585-E588 PolarHBondContact O-N 3.38Å; S585-E589 PolarHBondContact O-N 3.42Å; S585-E589 VanDerWaalsContact O-N 3.09Å |
| 586 | T | 59.8 | Low | 71.2 | Confident | 10 Ų | 10 | 87.6 Ų | 87.6 | 6% | 0.061 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.8 | -35.1 | 0 | 0 | 0 | 0 | 112.3 | E487 N488 K582 K584 N590 | E487-T586 HydrophobicContact CB-CG2 4.19Å; E487-T586 HydrophobicContact CG-CG2 4.45Å; E487-T586 WeakPolarHBondContact OE2-CB 3.17Å; E487-T586 PolarHBondContact OE2-OG1 3.46Å; N488-T586 WeakPolarHBondContact OD1-CG2 3.35Å; K582-T586 PolarHBondContact O-N 3.37Å; K582-T586 PolarHBondContact O-OG1 2.87Å; K584-T586 VanDerWaalsContact C-N 3.29Å; K584-T586 PolarHBondContact O-N 2.87Å; T586-N590 WeakPolarHBondContact O-CB 3.38Å; T586-N590 PolarHBondContact O-N 3.3Å; T586-N590 VanDerWaalsContact O-N 3.13Å; T586-N590 PolarHBondContact O-ND2 3.48Å; T586-N590 VanDerWaalsContact O-ND2 3.12Å |
| 587 | S | 60.5 | Low | 69.8 | Low | 62 Ų | 62 | 88.8 Ų | 88.8 | 43% | 0.434 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.9 | -34 | 178.4 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | T583 K584 I591 | T583-S587 PolarHBondContact O-N 2.97Å; K584-S587 PolarHBondContact O-N 3.23Å; K584-S587 VanDerWaalsContact O-N 3.13Å; K584-S587 PolarHBondContact O-OG 3.46Å; S587-I591 VanDerWaalsContact O-CD1 3.27Å; S587-I591 WeakPolarHBondContact O-CD1 3.39Å; S587-I591 VanDerWaalsContact O-CG1 3.24Å; S587-I591 WeakPolarHBondContact O-CG1 3.47Å; S587-I591 PolarHBondContact O-N 3.14Å |
| 588 | E | 58.7 | Low | 68.3 | Low | 143 Ų | 143 | 89.1 Ų | 89.1 | 67% | 0.668 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -74.3 | -39.2 | 175.2 | -69.8 | 179.3 | 177.5 | 0 | 0 | 112.4 | K584 S585 N590 I591 G592 | K584-E588 PolarHBondContact O-N 3.04Å; K584-E588 VanDerWaalsContact O-N 3.09Å; S585-E588 PolarHBondContact O-N 3.38Å; E588-N590 VanDerWaalsContact C-N 3.33Å; E588-N590 PolarHBondContact O-N 3.02Å; E588-I591 PolarHBondContact O-N 3.17Å; E588-G592 PolarHBondContact O-N 2.95Å |
| 589 | E | 54.9 | Low | 66.6 | Low | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.1 | -37.7 | 173.8 | -78.4 | -176.5 | 169.3 | 0 | 0 | 112.4 | S585 I591 G592 | S585-E589 PolarHBondContact O-N 3.42Å; S585-E589 VanDerWaalsContact O-N 3.09Å; E589-I591 VanDerWaalsContact C-N 3.27Å; E589-I591 PolarHBondContact O-N 3.24Å; E589-G592 PolarHBondContact O-N 2.83Å |
| 590 | N | 52.3 | Low | 64.9 | Low | 95 Ų | 95 | 99.3 Ų | 99.3 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.8 | -17.2 | 176.9 | -77.2 | -37.4 | 0 | 0 | 0 | 114 | T586 E588 | T586-N590 WeakPolarHBondContact O-CB 3.38Å; T586-N590 PolarHBondContact O-N 3.3Å; T586-N590 VanDerWaalsContact O-N 3.13Å; T586-N590 PolarHBondContact O-ND2 3.48Å; T586-N590 VanDerWaalsContact O-ND2 3.12Å; E588-N590 VanDerWaalsContact C-N 3.33Å; E588-N590 PolarHBondContact O-N 3.02Å |
| 591 | I | 53.1 | Low | 62.9 | Low | 128 Ų | 128 | 98.9 Ų | 98.9 | 66% | 0.656 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -85.6 | -24.9 | 174.9 | -66.4 | 163.5 | 0 | 0 | 0 | 111.1 | S587 E588 E589 I593 | S587-I591 VanDerWaalsContact O-CD1 3.27Å; S587-I591 WeakPolarHBondContact O-CD1 3.39Å; S587-I591 VanDerWaalsContact O-CG1 3.24Å; S587-I591 WeakPolarHBondContact O-CG1 3.47Å; S587-I591 PolarHBondContact O-N 3.14Å; E588-I591 PolarHBondContact O-N 3.17Å; E589-I591 VanDerWaalsContact C-N 3.27Å; E589-I591 PolarHBondContact O-N 3.24Å; I591-I593 PolarHBondContact O-N 3.02Å |
| 592 | G | 49.4 | Very low | 60.7 | Low | 68 Ų | 68 | 99.6 Ų | 99.6 | 70% | 0.701 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | E588 E589 | E588-G592 PolarHBondContact O-N 2.95Å; E589-G592 PolarHBondContact O-N 2.83Å |
| 593 | I | 46.4 | Very low | 58.5 | Low | 150 Ų | 150 | 103.8 Ų | 103.8 | 77% | 0.769 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 24.5 | 180 | -53.7 | 170.1 | 0 | 0 | 0 | 111.6 | I591 | I591-I593 PolarHBondContact O-N 3.02Š|
| 594 | K | 38 | Very low | 56.2 | Low | 258 Ų | 258 | 108.5 Ų | 108.5 | 100% | 1.122 | 57% | 0.573 | S | S | * | * | trans | -100.3 | 0 | 171.2 | -87.9 | -172.7 | 177.6 | 176 | 0 | 113.5 |
Retrieved 594 of 594 residues in 3375.8 ms
(Link to these results)