| 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 | 47.1 | Very low | 79.2 | Confident | 244 Ų | 244 | 84.5 Ų | 84.5 | 100% | 1.202 | 42% | 0.418 | S | S | * | . | 0 | 115.3 | 0 | -132.2 | 176.4 | -89.5 | 0 | 0 | 106 | |||||
| 2 | K | 63.1 | Low | 80 | Confident | 122 Ų | 122 | 80.9 Ų | 80.9 | 53% | 0.53 | 40% | 0.402 | S | S | . | . | trans | -65.7 | 146.3 | 178.3 | -77.6 | -178.6 | 175.6 | 178.5 | 0 | 109.5 | E6 E10 | K2-E6 WeakPolarHBondContact CA-OE2 3.42Å; K2-E10 IonicContact NZ-OE1 3.01Å; K2-E10 PolarHBondContact NZ-OE1 3.19Å; K2-E10 IonicContact NZ-OE2 2.71Å; K2-E10 PolarHBondContact NZ-OE2 2.71Å | ||
| 3 | N | 78.2 | Confident | 80.7 | Confident | 98 Ų | 98 | 81.3 Ų | 81.3 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | trans | -81.1 | 151.3 | 179.2 | -165 | -7.7 | 0 | 0 | 0 | 110.7 | I5 E6 L7 | N3-I5 PolarHBondContact O-N 2.93Å; N3-I5 VanDerWaalsContact O-N 3.16Å; N3-E6 HydrophobicContact CB-CG 4.25Å; N3-E6 PolarHBondContact N-OE2 3.26Å; N3-E6 WeakPolarHBondContact O-CB 3.36Å; N3-E6 PolarHBondContact O-N 3.41Å; N3-L7 PolarHBondContact O-N 2.9Å | ||
| 4 | L | 81 | Confident | 81.2 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -53.9 | -36.6 | -177.8 | -179.9 | 65.9 | 0 | 0 | 0 | 113.3 | K8 C30 L33 M40 | L4-K8 PolarHBondContact O-N 2.95Å; L4-C30 HydrophobicContact CD1-CB 4.3Å; L4-C30 WeakPolarHBondContact CD1-O 3.44Å; L4-L33 HydrophobicContact CD1-CB 3.91Å; L4-M40 HydrophobicContact CD1-SD 3.96Å; L4-M40 HydrophobicContact CD2-CE 3.64Å; L4-M40 HydrophobicContact CD2-SD 3.3Å; L4-M40 WeakPolarHBondContact CD2-SD 3.33Å; L4-M40 HydrophobicContact CG-CE 4.09Å; L4-M40 HydrophobicContact CG-SD 3.4Å; L4-M40 WeakPolarHBondContact CG-SD 3.34Å |
| 5 | I | 82.4 | Confident | 81.8 | Confident | 110 Ų | 110 | 76 Ų | 76 | 56% | 0.564 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.8 | -38.3 | 177.8 | -62 | 172.8 | 0 | 0 | 0 | 110.9 | N3 K8 T9 | N3-I5 PolarHBondContact O-N 2.93Å; N3-I5 VanDerWaalsContact O-N 3.16Å; I5-K8 PolarHBondContact O-N 2.74Å; I5-T9 WeakPolarHBondContact O-CG2 3.34Å; I5-T9 PolarHBondContact O-N 3.18Å; I5-T9 PolarHBondContact O-OG1 2.7Å |
| 6 | E | 84.5 | Confident | 82.2 | Confident | 102 Ų | 102 | 80.6 Ų | 80.6 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 180 | -61.7 | 172 | 163.4 | 0 | 0 | 110.8 | K2 N3 K8 T9 E10 | K2-E6 WeakPolarHBondContact CA-OE2 3.42Å; N3-E6 HydrophobicContact CB-CG 4.25Å; N3-E6 PolarHBondContact N-OE2 3.26Å; N3-E6 WeakPolarHBondContact O-CB 3.36Å; N3-E6 PolarHBondContact O-N 3.41Å; E6-K8 PolarHBondContact O-N 3.12Å; E6-T9 WeakPolarHBondContact CA-OG1 3.44Å; E6-T9 PolarHBondContact O-N 3.44Å; E6-T9 PolarHBondContact O-OG1 3.4Å; E6-E10 WeakPolarHBondContact O-CB 3.45Å; E6-E10 PolarHBondContact O-N 3.2Å |
| 7 | L | 85.1 | Confident | 82.5 | Confident | 8 Ų | 8 | 84.7 Ų | 84.7 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.6 | -80 | 161.9 | 0 | 0 | 0 | 111.9 | N3 T9 E10 A11 L26 C30 L33 | N3-L7 PolarHBondContact O-N 2.9Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.01Å; L7-E10 PolarHBondContact O-N 2.94Å; L7-A11 WeakPolarHBondContact O-CB 3.42Å; L7-A11 PolarHBondContact O-N 3.07Å; L7-L26 HydrophobicContact CD2-CD2 4.3Å; L7-C30 VanDerWaalsContact C-SG 3.6Å; L7-C30 WeakPolarHBondContact CB-SG 3.48Å; L7-L33 HydrophobicContact CD1-CD1 3.42Å; L7-L33 VanDerWaalsContact CD1-CD1 3.42Å |
| 8 | K | 86.8 | Confident | 82.5 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 26% | 0.261 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 175.7 | 174.2 | -175.1 | 159.4 | -172.1 | 0 | 111.5 | L4 I5 E6 N12 C30 L44 | L4-K8 PolarHBondContact O-N 2.95Å; I5-K8 PolarHBondContact O-N 2.74Å; E6-K8 PolarHBondContact O-N 3.12Å; K8-N12 WeakPolarHBondContact O-CB 3.44Å; K8-N12 PolarHBondContact O-N 3.44Å; K8-N12 PolarHBondContact O-ND2 3.31Å; K8-N12 VanDerWaalsContact O-ND2 3.1Å; K8-C30 PolarHBondContact N-SG 3.48Å; K8-L44 HydrophobicContact CG-CD2 4.49Å |
| 9 | T | 87.3 | Confident | 82.8 | Confident | 77 Ų | 77 | 81.4 Ų | 81.4 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 177 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | I5 E6 L7 N12 E13 | I5-T9 WeakPolarHBondContact O-CG2 3.34Å; I5-T9 PolarHBondContact O-N 3.18Å; I5-T9 PolarHBondContact O-OG1 2.7Å; E6-T9 WeakPolarHBondContact CA-OG1 3.44Å; E6-T9 PolarHBondContact O-N 3.44Å; E6-T9 PolarHBondContact O-OG1 3.4Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.01Å; T9-N12 PolarHBondContact O-N 3.25Å; T9-E13 WeakPolarHBondContact O-CG 3.42Å; T9-E13 PolarHBondContact O-N 3.46Å |
| 10 | E | 88.3 | Confident | 83.1 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 175.9 | -168.3 | 172.1 | -176.3 | 0 | 0 | 111.5 | K2 E6 L7 N12 E13 L14 L26 | K2-E10 IonicContact NZ-OE1 3.01Å; K2-E10 PolarHBondContact NZ-OE1 3.19Å; K2-E10 IonicContact NZ-OE2 2.71Å; K2-E10 PolarHBondContact NZ-OE2 2.71Å; E6-E10 WeakPolarHBondContact O-CB 3.45Å; E6-E10 PolarHBondContact O-N 3.2Å; L7-E10 PolarHBondContact O-N 2.94Å; E10-N12 VanDerWaalsContact C-N 3.33Å; E10-N12 PolarHBondContact O-N 3.44Å; E10-E13 PolarHBondContact O-N 3.16Å; E10-E13 VanDerWaalsContact O-N 3.12Å; E10-L14 PolarHBondContact O-N 2.98Å; E10-L26 HydrophobicContact CB-CD1 4.08Å; E10-L26 HydrophobicContact CG-CD1 3.7Å |
| 11 | A | 87 | Confident | 83.2 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 L14 F15 L26 Y27 | L7-A11 WeakPolarHBondContact O-CB 3.42Å; L7-A11 PolarHBondContact O-N 3.07Å; A11-L14 PolarHBondContact O-N 3.38Å; A11-F15 WeakPolarHBondContact O-CB 3.46Å; A11-F15 PolarHBondContact O-N 3.04Å; A11-L26 HydrophobicContact CB-CB 3.65Å; A11-L26 HydrophobicContact CB-CD1 4.32Å; A11-Y27 HydrophobicContact CB-CD1 3.45Å; A11-Y27 VanDerWaalsContact CB-CD1 3.45Å; A11-Y27 HydrophobicContact CB-CE1 3.31Å; A11-Y27 HydrophobicContact CB-CE2 4.43Å; A11-Y27 HydrophobicContact CB-CG 4.11Å; A11-Y27 PolarHBondContact O-OH 3.3Å |
| 12 | N | 89.5 | Confident | 85.1 | Confident | 41 Ų | 41 | 79.9 Ų | 79.9 | 22% | 0.219 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 174.8 | -72.1 | -34.2 | 0 | 0 | 0 | 112 | K8 T9 E10 F15 K16 Y27 N47 | K8-N12 WeakPolarHBondContact O-CB 3.44Å; K8-N12 PolarHBondContact O-N 3.44Å; K8-N12 PolarHBondContact O-ND2 3.31Å; K8-N12 VanDerWaalsContact O-ND2 3.1Å; T9-N12 PolarHBondContact O-N 3.25Å; E10-N12 VanDerWaalsContact C-N 3.33Å; E10-N12 PolarHBondContact O-N 3.44Å; N12-F15 WeakPolarHBondContact O-CB 3.48Å; N12-F15 PolarHBondContact O-N 3.46Å; N12-K16 WeakPolarHBondContact O-CG 3.36Å; N12-K16 PolarHBondContact O-N 3.31Å; N12-Y27 PolarHBondContact OD1-OH 3.47Å; N12-N47 PolarHBondContact OD1-ND2 2.97Å |
| 13 | E | 88.7 | Confident | 86.2 | Confident | 86 Ų | 86 | 74 Ų | 74 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 174.4 | -71.5 | -53.6 | 128.8 | 0 | 0 | 111.7 | T9 E10 F15 K16 K17 | T9-E13 WeakPolarHBondContact O-CG 3.42Å; T9-E13 PolarHBondContact O-N 3.46Å; E10-E13 PolarHBondContact O-N 3.16Å; E10-E13 VanDerWaalsContact O-N 3.12Å; E13-F15 VanDerWaalsContact C-N 3.35Å; E13-K16 PolarHBondContact O-N 2.98Å; E13-K16 IonicContact OE1-NZ 3.44Å; E13-K16 PolarHBondContact OE1-NZ 3.19Å; E13-K17 WeakPolarHBondContact O-CG 3.45Å; E13-K17 PolarHBondContact O-N 3.38Å |
| 14 | L | 88.3 | Confident | 86.7 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -41 | 171.5 | -68.8 | -176.8 | 0 | 0 | 0 | 112.1 | E10 A11 K16 K17 G18 L19 E22 A23 L26 | E10-L14 PolarHBondContact O-N 2.98Å; A11-L14 PolarHBondContact O-N 3.38Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.38Å; L14-K17 CarbonylContact O-C 3.51Å; L14-K17 PolarHBondContact O-N 2.91Å; L14-G18 PolarHBondContact O-N 3.17Å; L14-L19 HydrophobicContact CD2-CD1 4.13Å; L14-L19 PolarHBondContact O-N 3Å; L14-E22 HydrophobicContact CD1-CB 3.87Å; L14-A23 HydrophobicContact CB-CB 3.91Å; L14-L26 HydrophobicContact CD1-CD1 3.43Å; L14-L26 VanDerWaalsContact CD1-CD1 3.43Å; L14-L26 HydrophobicContact CD1-CG 4.11Å; L14-L26 HydrophobicContact CG-CD1 4.35Å |
| 15 | F | 90.2 | Very high | 87 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.5 | -179.7 | -92.8 | 0 | 0 | 0 | 111.8 | A11 N12 E13 K17 G18 Y20 A23 Q50 C51 | A11-F15 WeakPolarHBondContact O-CB 3.46Å; A11-F15 PolarHBondContact O-N 3.04Å; N12-F15 WeakPolarHBondContact O-CB 3.48Å; N12-F15 PolarHBondContact O-N 3.46Å; E13-F15 VanDerWaalsContact C-N 3.35Å; F15-K17 VanDerWaalsContact C-N 3.32Å; F15-K17 PolarHBondContact O-N 3.38Å; F15-G18 PolarHBondContact O-N 3.46Å; F15-Y20 AromaticContact CD2-CD1 3.74Å; F15-Y20 HydrophobicContact CD2-CD1 3.74Å; F15-Y20 AromaticContact CD2-CE1 3.94Å; F15-Y20 HydrophobicContact CD2-CE1 3.94Å; F15-Y20 AromaticContact CE2-CD1 3.87Å; F15-Y20 HydrophobicContact CE2-CD1 3.87Å; F15-Y20 AromaticContact CE2-CE1 3.84Å; F15-Y20 HydrophobicContact CE2-CE1 3.84Å; F15-Y20 HydrophobicContact CZ-CE1 4.34Å; F15-A23 HydrophobicContact CB-CB 4.27Å; F15-Q50 HydrophobicContact CE2-CB 4.3Å; F15-Q50 HydrophobicContact CE2-CG 4.03Å; F15-Q50 HydrophobicContact CZ-CB 4.37Å; F15-Q50 HydrophobicContact CZ-CG 3.73Å; F15-C51 WeakPolarHBondContact CD2-SG 3.48Å |
| 16 | K | 87.8 | Confident | 87.3 | Confident | 149 Ų | 149 | 66.7 Ų | 66.7 | 65% | 0.648 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.1 | -35.5 | 175.7 | -72.4 | 174.9 | -172.4 | 170.1 | 0 | 112.6 | N12 E13 L14 G18 | N12-K16 WeakPolarHBondContact O-CG 3.36Å; N12-K16 PolarHBondContact O-N 3.31Å; E13-K16 PolarHBondContact O-N 2.98Å; E13-K16 IonicContact OE1-NZ 3.44Å; E13-K16 PolarHBondContact OE1-NZ 3.19Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.38Å; K16-G18 PolarHBondContact O-N 3.05Å |
| 17 | K | 87.1 | Confident | 87.5 | Confident | 151 Ų | 151 | 61.8 Ų | 61.8 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -3.6 | 173.7 | -70.3 | 176.8 | -174.2 | -179.6 | 0 | 113.6 | E13 L14 F15 L19 | E13-K17 WeakPolarHBondContact O-CG 3.45Å; E13-K17 PolarHBondContact O-N 3.38Å; L14-K17 CarbonylContact O-C 3.51Å; L14-K17 PolarHBondContact O-N 2.91Å; F15-K17 VanDerWaalsContact C-N 3.32Å; F15-K17 PolarHBondContact O-N 3.38Å; K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 HydrophobicContact CB-CD1 4.49Å; K17-L19 HydrophobicContact CB-CG 4.49Å; K17-L19 PolarHBondContact O-N 2.91Å |
| 18 | G | 82.8 | Confident | 87.6 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 5.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L14 F15 K16 Y20 | L14-G18 PolarHBondContact O-N 3.17Å; F15-G18 PolarHBondContact O-N 3.46Å; K16-G18 PolarHBondContact O-N 3.05Å; G18-Y20 WeakPolarHBondContact O-CD2 3.38Å; G18-Y20 PolarHBondContact O-N 3.49Å |
| 19 | L | 88.6 | Confident | 87.5 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | trans | -83.3 | 67.6 | 179.1 | -63.8 | 172.5 | 0 | 0 | 0 | 110.1 | L14 K17 R21 E22 A23 | L14-L19 HydrophobicContact CD2-CD1 4.13Å; L14-L19 PolarHBondContact O-N 3Å; K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 HydrophobicContact CB-CD1 4.49Å; K17-L19 HydrophobicContact CB-CG 4.49Å; K17-L19 PolarHBondContact O-N 2.91Å; L19-R21 PolarHBondContact O-N 3.49Å; L19-E22 HydrophobicContact CB-CB 4.42Å; L19-E22 PolarHBondContact O-N 2.88Å; L19-A23 WeakPolarHBondContact O-CB 3.4Å; L19-A23 PolarHBondContact O-N 3.1Å | ||
| 20 | Y | 88.1 | Confident | 87.5 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | -169.2 | -54.9 | -53 | 0 | 0 | 0 | 114.1 | F15 G18 A23 I24 N54 L55 | F15-Y20 AromaticContact CD2-CD1 3.74Å; F15-Y20 HydrophobicContact CD2-CD1 3.74Å; F15-Y20 AromaticContact CD2-CE1 3.94Å; F15-Y20 HydrophobicContact CD2-CE1 3.94Å; F15-Y20 AromaticContact CE2-CD1 3.87Å; F15-Y20 HydrophobicContact CE2-CD1 3.87Å; F15-Y20 AromaticContact CE2-CE1 3.84Å; F15-Y20 HydrophobicContact CE2-CE1 3.84Å; F15-Y20 HydrophobicContact CZ-CE1 4.34Å; G18-Y20 WeakPolarHBondContact O-CD2 3.38Å; G18-Y20 PolarHBondContact O-N 3.49Å; Y20-A23 PolarHBondContact O-N 3.43Å; Y20-I24 WeakPolarHBondContact O-CD1 3.3Å; Y20-I24 WeakPolarHBondContact O-CG1 3.41Å; Y20-I24 PolarHBondContact O-N 3.18Å; Y20-N54 HydrophobicContact CD2-CB 3.98Å; Y20-N54 HydrophobicContact CE2-CB 3.77Å; Y20-N54 HydrophobicContact CG-CB 4.44Å; Y20-N54 PolarHBondContact OH-ND2 3.04Å; Y20-L55 HydrophobicContact CD2-CD2 4.44Å |
| 21 | R | 85.8 | Confident | 87.4 | Confident | 197 Ų | 197 | 60.7 Ų | 60.7 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.3 | -43.5 | 178.6 | -72.3 | -175.1 | -178 | 146.2 | 0.3 | 112.2 | L19 I24 G25 L55 | L19-R21 PolarHBondContact O-N 3.49Å; R21-I24 PolarHBondContact O-N 2.86Å; R21-G25 PolarHBondContact O-N 3.36Å; R21-G25 VanDerWaalsContact O-N 3.1Å; R21-L55 HydrophobicContact CG-CD1 4Å; R21-L55 HydrophobicContact CG-CD2 4.34Å |
| 22 | E | 85.8 | Confident | 87.2 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 177.3 | -62.7 | 174.2 | -159.4 | 0 | 0 | 110.9 | L14 L19 I24 G25 L26 | L14-E22 HydrophobicContact CD1-CB 3.87Å; L19-E22 HydrophobicContact CB-CB 4.42Å; L19-E22 PolarHBondContact O-N 2.88Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 3.01Å; E22-G25 PolarHBondContact O-N 3.15Å; E22-G25 VanDerWaalsContact O-N 3.17Å; E22-L26 PolarHBondContact O-N 2.87Å |
| 23 | A | 87.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L14 F15 L19 Y20 G25 L26 Y27 | L14-A23 HydrophobicContact CB-CB 3.91Å; F15-A23 HydrophobicContact CB-CB 4.27Å; L19-A23 WeakPolarHBondContact O-CB 3.4Å; L19-A23 PolarHBondContact O-N 3.1Å; Y20-A23 PolarHBondContact O-N 3.43Å; A23-G25 VanDerWaalsContact C-N 3.33Å; A23-G25 PolarHBondContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 3.42Å; A23-Y27 HydrophobicContact CB-CD2 4.43Å; A23-Y27 HydrophobicContact CB-CE2 4.01Å; A23-Y27 WeakPolarHBondContact O-CB 3.44Å; A23-Y27 WeakPolarHBondContact O-CD2 3.02Å; A23-Y27 VanDerWaalsContact O-CG 3.25Å; A23-Y27 PolarHBondContact O-N 3.47Å |
| 24 | I | 88.2 | Confident | 86.1 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 8% | 0.082 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.3 | -45 | 173.9 | -69.2 | 160.7 | 0 | 0 | 0 | 110.6 | Y20 R21 E22 L26 Y27 D28 K48 C51 F52 L55 | Y20-I24 WeakPolarHBondContact O-CD1 3.3Å; Y20-I24 WeakPolarHBondContact O-CG1 3.41Å; Y20-I24 PolarHBondContact O-N 3.18Å; R21-I24 PolarHBondContact O-N 2.86Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 3.01Å; I24-L26 VanDerWaalsContact C-N 3.35Å; I24-L26 PolarHBondContact O-N 3.28Å; I24-Y27 PolarHBondContact O-N 3.5Å; I24-Y27 VanDerWaalsContact O-N 3.15Å; I24-D28 PolarHBondContact O-N 3.39Å; I24-K48 HydrophobicContact CG1-CG 4.38Å; I24-K48 HydrophobicContact CG2-CD 4.48Å; I24-K48 HydrophobicContact CG2-CG 4.3Å; I24-C51 HydrophobicContact CD1-CB 3.56Å; I24-C51 HydrophobicContact CG1-CB 3.49Å; I24-C51 VanDerWaalsContact CG1-CB 3.49Å; I24-F52 HydrophobicContact CD1-CD1 3.93Å; I24-F52 HydrophobicContact CD1-CE1 3.75Å; I24-F52 HydrophobicContact CD1-CZ 4.24Å; I24-F52 HydrophobicContact CG2-CZ 4.43Å; I24-L55 HydrophobicContact CD1-CD1 3.88Å |
| 25 | G | 87.5 | Confident | 85.2 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.1 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | R21 E22 A23 D28 E29 | R21-G25 PolarHBondContact O-N 3.36Å; R21-G25 VanDerWaalsContact O-N 3.1Å; E22-G25 PolarHBondContact O-N 3.15Å; E22-G25 VanDerWaalsContact O-N 3.17Å; A23-G25 VanDerWaalsContact C-N 3.33Å; A23-G25 PolarHBondContact O-N 3.1Å; G25-D28 PolarHBondContact O-N 3.34Å; G25-E29 PolarHBondContact O-N 3.45Å |
| 26 | L | 87.6 | Confident | 84.2 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69 | -34.5 | 175.9 | -67.7 | -172 | 0 | 0 | 0 | 113 | L7 E10 A11 L14 E22 A23 I24 D28 E29 C30 | L7-L26 HydrophobicContact CD2-CD2 4.3Å; E10-L26 HydrophobicContact CB-CD1 4.08Å; E10-L26 HydrophobicContact CG-CD1 3.7Å; A11-L26 HydrophobicContact CB-CB 3.65Å; A11-L26 HydrophobicContact CB-CD1 4.32Å; L14-L26 HydrophobicContact CD1-CD1 3.43Å; L14-L26 VanDerWaalsContact CD1-CD1 3.43Å; L14-L26 HydrophobicContact CD1-CG 4.11Å; L14-L26 HydrophobicContact CG-CD1 4.35Å; E22-L26 PolarHBondContact O-N 2.87Å; A23-L26 PolarHBondContact O-N 3.42Å; I24-L26 VanDerWaalsContact C-N 3.35Å; I24-L26 PolarHBondContact O-N 3.28Å; L26-D28 VanDerWaalsContact C-N 3.33Å; L26-E29 PolarHBondContact O-N 3.19Å; L26-C30 WeakPolarHBondContact O-CB 3.49Å; L26-C30 PolarHBondContact O-N 3.09Å; L26-C30 PolarHBondContact O-SG 3.01Å |
| 27 | Y | 88.9 | Confident | 84 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 174.1 | -69.6 | -45.6 | 0 | 0 | 0 | 112 | A11 N12 A23 I24 C30 L31 L44 N47 | A11-Y27 HydrophobicContact CB-CD1 3.45Å; A11-Y27 VanDerWaalsContact CB-CD1 3.45Å; A11-Y27 HydrophobicContact CB-CE1 3.31Å; A11-Y27 HydrophobicContact CB-CE2 4.43Å; A11-Y27 HydrophobicContact CB-CG 4.11Å; A11-Y27 PolarHBondContact O-OH 3.3Å; N12-Y27 PolarHBondContact OD1-OH 3.47Å; A23-Y27 HydrophobicContact CB-CD2 4.43Å; A23-Y27 HydrophobicContact CB-CE2 4.01Å; A23-Y27 WeakPolarHBondContact O-CB 3.44Å; A23-Y27 WeakPolarHBondContact O-CD2 3.02Å; A23-Y27 VanDerWaalsContact O-CG 3.25Å; A23-Y27 PolarHBondContact O-N 3.47Å; I24-Y27 PolarHBondContact O-N 3.5Å; I24-Y27 VanDerWaalsContact O-N 3.15Å; Y27-C30 WeakPolarHBondContact O-CB 3.49Å; Y27-C30 PolarHBondContact O-N 2.95Å; Y27-L31 WeakPolarHBondContact O-CB 3.42Å; Y27-L31 WeakPolarHBondContact O-CG 3.3Å; Y27-L31 PolarHBondContact O-N 3.05Å; Y27-L44 HydrophobicContact CD1-CD2 3.48Å; Y27-L44 VanDerWaalsContact CD1-CD2 3.48Å; Y27-L44 HydrophobicContact CE1-CD2 4.18Å; Y27-L44 HydrophobicContact CG-CD2 4.33Å; Y27-N47 HydrophobicContact CD2-CB 4.35Å; Y27-N47 HydrophobicContact CE1-CB 4.12Å; Y27-N47 HydrophobicContact CE2-CB 3.76Å; Y27-N47 PolarHBondContact OH-ND2 3.31Å |
| 28 | D | 87.1 | Confident | 83.8 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 175.3 | -77 | -21.7 | 0 | 0 | 0 | 111.4 | I24 G25 L26 C30 L31 G32 K48 | I24-D28 PolarHBondContact O-N 3.39Å; G25-D28 PolarHBondContact O-N 3.34Å; L26-D28 VanDerWaalsContact C-N 3.33Å; D28-C30 VanDerWaalsContact C-N 3.35Å; D28-L31 PolarHBondContact O-N 2.67Å; D28-G32 PolarHBondContact O-N 3.03Å; D28-K48 VanDerWaalsContact CG-NZ 3.27Å; D28-K48 WeakPolarHBondContact OD1-CE 3.2Å; D28-K48 IonicContact OD1-NZ 3.09Å; D28-K48 PolarHBondContact OD1-NZ 3.45Å; D28-K48 IonicContact OD2-NZ 2.88Å; D28-K48 PolarHBondContact OD2-NZ 2.97Å |
| 29 | E | 86 | Confident | 83.9 | Confident | 105 Ų | 105 | 66 Ų | 66 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 170.5 | -165.9 | 179.2 | 178.9 | 0 | 0 | 111.6 | G25 L26 L31 G32 L33 | G25-E29 PolarHBondContact O-N 3.45Å; L26-E29 PolarHBondContact O-N 3.19Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.1Å; E29-G32 PolarHBondContact O-N 3.33Å; E29-L33 PolarHBondContact O-N 3.14Å |
| 30 | C | 87.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 172.8 | -68.9 | 0 | 0 | 0 | 0 | 112 | L4 L7 K8 L26 Y27 D28 G32 L33 C34 L44 | L4-C30 HydrophobicContact CD1-CB 4.3Å; L4-C30 WeakPolarHBondContact CD1-O 3.44Å; L7-C30 VanDerWaalsContact C-SG 3.6Å; L7-C30 WeakPolarHBondContact CB-SG 3.48Å; K8-C30 PolarHBondContact N-SG 3.48Å; L26-C30 WeakPolarHBondContact O-CB 3.49Å; L26-C30 PolarHBondContact O-N 3.09Å; L26-C30 PolarHBondContact O-SG 3.01Å; Y27-C30 WeakPolarHBondContact O-CB 3.49Å; Y27-C30 PolarHBondContact O-N 2.95Å; D28-C30 VanDerWaalsContact C-N 3.35Å; C30-G32 VanDerWaalsContact C-N 3.31Å; C30-G32 PolarHBondContact O-N 2.86Å; C30-L33 PolarHBondContact O-N 3.34Å; C30-C34 PolarHBondContact O-N 3.49Å; C30-C34 PolarHBondContact O-SG 3.35Å; C30-L44 HydrophobicContact CB-CD1 3.61Å; C30-L44 HydrophobicContact CB-CD2 3.75Å; C30-L44 HydrophobicContact CB-CG 4.36Å |
| 31 | L | 85.6 | Confident | 83.7 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 179 | -80.4 | 168.3 | 0 | 0 | 0 | 111.5 | Y27 D28 E29 C34 K41 L44 Q45 | Y27-L31 WeakPolarHBondContact O-CB 3.42Å; Y27-L31 WeakPolarHBondContact O-CG 3.3Å; Y27-L31 PolarHBondContact O-N 3.05Å; D28-L31 PolarHBondContact O-N 2.67Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.1Å; L31-C34 PolarHBondContact O-N 3.35Å; L31-K41 HydrophobicContact CD2-CB 4.13Å; L31-K41 HydrophobicContact CD2-CG 3.91Å; L31-L44 HydrophobicContact CD1-CB 4.35Å; L31-L44 HydrophobicContact CD2-CB 3.8Å; L31-L44 HydrophobicContact CD2-CD1 3.81Å; L31-L44 HydrophobicContact CD2-CG 4.46Å; L31-L44 HydrophobicContact CG-CB 3.88Å; L31-L44 HydrophobicContact CG-CD1 3.86Å; L31-L44 HydrophobicContact CG-CG 4.49Å; L31-Q45 HydrophobicContact CD2-CG 4.46Å |
| 32 | G | 82.3 | Confident | 83.9 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.4 | -34.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D28 E29 C30 | D28-G32 PolarHBondContact O-N 3.03Å; E29-G32 PolarHBondContact O-N 3.33Å; C30-G32 VanDerWaalsContact C-N 3.31Å; C30-G32 PolarHBondContact O-N 2.86Å |
| 33 | L | 81.3 | Confident | 84.1 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 53% | 0.534 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -83.2 | -18.7 | 176.7 | -66.7 | 172.5 | 0 | 0 | 0 | 113.4 | L4 L7 E29 C30 G35 | L4-L33 HydrophobicContact CD1-CB 3.91Å; L7-L33 HydrophobicContact CD1-CD1 3.42Å; L7-L33 VanDerWaalsContact CD1-CD1 3.42Å; E29-L33 PolarHBondContact O-N 3.14Å; C30-L33 PolarHBondContact O-N 3.34Å; L33-G35 PolarHBondContact O-N 2.85Å |
| 34 | C | 74.1 | Confident | 84.2 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | trans | -72.4 | 93.2 | 175.2 | -75.2 | 0 | 0 | 0 | 0 | 110.5 | C30 L31 K41 | C30-C34 PolarHBondContact O-N 3.49Å; C30-C34 PolarHBondContact O-SG 3.35Å; L31-C34 PolarHBondContact O-N 3.35Å; C34-K41 HydrophobicContact CB-CG 4Å; C34-K41 WeakPolarHBondContact O-CE 3.4Å; C34-K41 PolarHBondContact O-NZ 2.63Å; C34-K41 VanDerWaalsContact O-NZ 3.15Å | ||
| 35 | G | 69.3 | Low | 84.4 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 66% | 0.66 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -55 | -84.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | L33 K41 | L33-G35 PolarHBondContact O-N 2.85Å; G35-K41 PolarHBondContact O-NZ 3.15Å |
| 36 | S | 70.4 | Confident | 84.6 | Confident | 115 Ų | 115 | 51.6 Ų | 51.6 | 80% | 0.804 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -117.4 | 4.7 | -175.3 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | K38 | S36-K38 PolarHBondContact O-N 2.85Š|
| 37 | D | 82 | Confident | 84.8 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | trans | -73.4 | 90.2 | -179.2 | -170.1 | -12.8 | 0 | 0 | 0 | 111.9 | S39 M40 K41 | D37-S39 VanDerWaalsContact C-N 3.25Å; D37-S39 PolarHBondContact O-N 2.99Å; D37-S39 WeakPolarHBondContact OD1-CB 3.47Å; D37-S39 PolarHBondContact OD1-N 3.21Å; D37-S39 PolarHBondContact OD1-OG 2.95Å; D37-M40 HydrophobicContact CB-CB 4.15Å; D37-M40 PolarHBondContact O-N 3.48Å; D37-M40 PolarHBondContact OD1-N 3.08Å; D37-M40 VanDerWaalsContact OD1-N 3.09Å; D37-K41 WeakPolarHBondContact O-CG 3.46Å; D37-K41 PolarHBondContact O-N 3.09Å; D37-K41 VanDerWaalsContact O-N 3.08Å | ||
| 38 | K | 83.7 | Confident | 85 | Confident | 157 Ų | 157 | 53.5 Ų | 53.5 | 68% | 0.683 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.7 | -33.5 | 176.9 | -68.2 | -174.2 | 179.8 | -177.9 | 0 | 112.6 | S36 M40 K41 L42 I71 | S36-K38 PolarHBondContact O-N 2.85Å; K38-M40 VanDerWaalsContact C-N 3.34Å; K38-K41 PolarHBondContact O-N 3.35Å; K38-L42 WeakPolarHBondContact O-CB 2.95Å; K38-L42 PolarHBondContact O-N 2.92Å; K38-I71 HydrophobicContact CB-CG2 4.25Å |
| 39 | S | 84.8 | Confident | 85.3 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 57% | 0.566 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.7 | -40.9 | -178.6 | 79.2 | 0 | 0 | 0 | 0 | 110.7 | D37 V43 | D37-S39 VanDerWaalsContact C-N 3.25Å; D37-S39 PolarHBondContact O-N 2.99Å; D37-S39 WeakPolarHBondContact OD1-CB 3.47Å; D37-S39 PolarHBondContact OD1-N 3.21Å; D37-S39 PolarHBondContact OD1-OG 2.95Å; S39-V43 WeakPolarHBondContact O-CG2 3.46Å; S39-V43 PolarHBondContact O-N 2.91Å |
| 40 | M | 84.5 | Confident | 85.6 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72 | -43.4 | 177.2 | -162.2 | 169.8 | -53.2 | 0 | 0 | 111.8 | L4 D37 K38 L42 V43 L44 | L4-M40 HydrophobicContact CD1-SD 3.96Å; L4-M40 HydrophobicContact CD2-CE 3.64Å; L4-M40 HydrophobicContact CD2-SD 3.3Å; L4-M40 WeakPolarHBondContact CD2-SD 3.33Å; L4-M40 HydrophobicContact CG-CE 4.09Å; L4-M40 HydrophobicContact CG-SD 3.4Å; L4-M40 WeakPolarHBondContact CG-SD 3.34Å; D37-M40 HydrophobicContact CB-CB 4.15Å; D37-M40 PolarHBondContact O-N 3.48Å; D37-M40 PolarHBondContact OD1-N 3.08Å; D37-M40 VanDerWaalsContact OD1-N 3.09Å; K38-M40 VanDerWaalsContact C-N 3.34Å; M40-L42 VanDerWaalsContact C-N 3.29Å; M40-L42 PolarHBondContact O-N 3.32Å; M40-V43 PolarHBondContact O-N 3.02Å; M40-V43 VanDerWaalsContact O-N 3.12Å; M40-L44 HydrophobicContact CG-CD1 4.03Å; M40-L44 HydrophobicContact CG-CG 4.36Å; M40-L44 VanDerWaalsContact O-CG 3.3Å; M40-L44 WeakPolarHBondContact O-CG 3.29Å; M40-L44 PolarHBondContact O-N 3.01Å |
| 41 | K | 88 | Confident | 85.9 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.6 | -43 | 174.9 | -71.9 | -175.7 | -178.8 | 179.5 | 0 | 112.3 | L31 C34 G35 D37 K38 V43 L44 Q45 I71 | L31-K41 HydrophobicContact CD2-CB 4.13Å; L31-K41 HydrophobicContact CD2-CG 3.91Å; C34-K41 HydrophobicContact CB-CG 4Å; C34-K41 WeakPolarHBondContact O-CE 3.4Å; C34-K41 PolarHBondContact O-NZ 2.63Å; C34-K41 VanDerWaalsContact O-NZ 3.15Å; G35-K41 PolarHBondContact O-NZ 3.15Å; D37-K41 WeakPolarHBondContact O-CG 3.46Å; D37-K41 PolarHBondContact O-N 3.09Å; D37-K41 VanDerWaalsContact O-N 3.08Å; K38-K41 PolarHBondContact O-N 3.35Å; K41-V43 PolarHBondContact O-N 3.37Å; K41-L44 PolarHBondContact O-N 3.34Å; K41-Q45 WeakPolarHBondContact O-CB 3.49Å; K41-Q45 WeakPolarHBondContact O-CG 3.44Å; K41-Q45 PolarHBondContact O-N 3.16Å; K41-I71 HydrophobicContact CB-CD1 3.88Å |
| 42 | L | 89.8 | Confident | 86.3 | Confident | 25 Ų | 25 | 47.6 Ų | 47.6 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 176.1 | 178.2 | 63.9 | 0 | 0 | 0 | 111.9 | K38 M40 R46 A68 I71 D75 | K38-L42 WeakPolarHBondContact O-CB 2.95Å; K38-L42 PolarHBondContact O-N 2.92Å; M40-L42 VanDerWaalsContact C-N 3.29Å; M40-L42 PolarHBondContact O-N 3.32Å; L42-R46 HydrophobicContact CD1-CG 4.3Å; L42-R46 VanDerWaalsContact O-CB 3.26Å; L42-R46 WeakPolarHBondContact O-CB 3.35Å; L42-R46 VanDerWaalsContact O-CD 3.29Å; L42-R46 WeakPolarHBondContact O-CD 3.48Å; L42-R46 WeakPolarHBondContact O-CG 3.43Å; L42-R46 PolarHBondContact O-N 3.4Å; L42-A68 HydrophobicContact CD1-CB 4.08Å; L42-A68 VanDerWaalsContact CD1-O 3.24Å; L42-A68 WeakPolarHBondContact CD1-O 3.45Å; L42-I71 HydrophobicContact CB-CG2 4.05Å; L42-I71 HydrophobicContact CD1-CB 4.42Å; L42-D75 HydrophobicContact CD1-CB 4.41Å |
| 43 | V | 89.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | -179.9 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | S39 M40 K41 R46 N47 | S39-V43 WeakPolarHBondContact O-CG2 3.46Å; S39-V43 PolarHBondContact O-N 2.91Å; M40-V43 PolarHBondContact O-N 3.02Å; M40-V43 VanDerWaalsContact O-N 3.12Å; K41-V43 PolarHBondContact O-N 3.37Å; V43-R46 WeakPolarHBondContact O-CB 3.42Å; V43-N47 PolarHBondContact O-N 3.31Å; V43-N47 PolarHBondContact O-OD1 3.48Å |
| 44 | L | 90 | Very high | 87.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -47.7 | 179.5 | -65.5 | 169.6 | 0 | 0 | 0 | 111.4 | K8 Y27 C30 L31 M40 K41 R46 N47 K48 | K8-L44 HydrophobicContact CG-CD2 4.49Å; Y27-L44 HydrophobicContact CD1-CD2 3.48Å; Y27-L44 VanDerWaalsContact CD1-CD2 3.48Å; Y27-L44 HydrophobicContact CE1-CD2 4.18Å; Y27-L44 HydrophobicContact CG-CD2 4.33Å; C30-L44 HydrophobicContact CB-CD1 3.61Å; C30-L44 HydrophobicContact CB-CD2 3.75Å; C30-L44 HydrophobicContact CB-CG 4.36Å; L31-L44 HydrophobicContact CD1-CB 4.35Å; L31-L44 HydrophobicContact CD2-CB 3.8Å; L31-L44 HydrophobicContact CD2-CD1 3.81Å; L31-L44 HydrophobicContact CD2-CG 4.46Å; L31-L44 HydrophobicContact CG-CB 3.88Å; L31-L44 HydrophobicContact CG-CD1 3.86Å; L31-L44 HydrophobicContact CG-CG 4.49Å; M40-L44 HydrophobicContact CG-CD1 4.03Å; M40-L44 HydrophobicContact CG-CG 4.36Å; M40-L44 VanDerWaalsContact O-CG 3.3Å; M40-L44 WeakPolarHBondContact O-CG 3.29Å; M40-L44 PolarHBondContact O-N 3.01Å; K41-L44 PolarHBondContact O-N 3.34Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 3.46Å; L44-N47 PolarHBondContact O-N 3.25Å; L44-K48 WeakPolarHBondContact O-CB 3.37Å; L44-K48 PolarHBondContact O-N 2.86Å |
| 45 | Q | 91.9 | Very high | 88 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 178.5 | -72.4 | -67.1 | 1.6 | 0 | 0 | 112.8 | L31 K41 N47 K48 A49 E67 A68 | L31-Q45 HydrophobicContact CD2-CG 4.46Å; K41-Q45 WeakPolarHBondContact O-CB 3.49Å; K41-Q45 WeakPolarHBondContact O-CG 3.44Å; K41-Q45 PolarHBondContact O-N 3.16Å; Q45-N47 PolarHBondContact O-N 3.16Å; Q45-K48 PolarHBondContact O-N 3.31Å; Q45-A49 WeakPolarHBondContact O-CB 3.5Å; Q45-A49 PolarHBondContact O-N 3.5Å; Q45-E67 VanDerWaalsContact CD-OE2 3.26Å; Q45-E67 HydrophobicContact CG-CB 4.43Å; Q45-E67 PolarHBondContact NE2-OE2 3.35Å; Q45-E67 PolarHBondContact OE1-OE2 3Å; Q45-A68 HydrophobicContact CB-CB 3.97Å |
| 46 | R | 92.8 | Very high | 88.8 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 172.5 | -80.7 | 171 | 82.3 | -167.5 | 25.6 | 111.8 | L42 V43 L44 K48 A49 Q50 A68 D75 K77 A78 R81 | L42-R46 HydrophobicContact CD1-CG 4.3Å; L42-R46 VanDerWaalsContact O-CB 3.26Å; L42-R46 WeakPolarHBondContact O-CB 3.35Å; L42-R46 VanDerWaalsContact O-CD 3.29Å; L42-R46 WeakPolarHBondContact O-CD 3.48Å; L42-R46 WeakPolarHBondContact O-CG 3.43Å; L42-R46 PolarHBondContact O-N 3.4Å; V43-R46 WeakPolarHBondContact O-CB 3.42Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 3.46Å; R46-K48 VanDerWaalsContact C-N 3.33Å; R46-A49 PolarHBondContact O-N 3.19Å; R46-Q50 PolarHBondContact O-N 3.05Å; R46-Q50 VanDerWaalsContact O-N 3.16Å; R46-A68 HydrophobicContact CG-CB 3.95Å; R46-D75 WeakPolarHBondContact CD-OD2 3.29Å; R46-D75 VanDerWaalsContact CZ-CG 3.45Å; R46-D75 IonicContact CZ-OD1 2.78Å; R46-D75 IonicContact CZ-OD2 3.02Å; R46-D75 VanDerWaalsContact NE-CG 3.29Å; R46-D75 IonicContact NE-OD1 2.67Å; R46-D75 PolarHBondContact NE-OD1 2.97Å; R46-D75 IonicContact NE-OD2 3.05Å; R46-D75 PolarHBondContact NE-OD2 2.97Å; R46-D75 IonicContact NH1-OD1 2.75Å; R46-D75 PolarHBondContact NH1-OD1 3.38Å; R46-D75 VanDerWaalsContact NH2-CG 3.33Å; R46-D75 IonicContact NH2-OD1 2.74Å; R46-D75 PolarHBondContact NH2-OD1 3.04Å; R46-D75 IonicContact NH2-OD2 3.41Å; R46-D75 PolarHBondContact NH2-OD2 2.97Å; R46-K77 VanDerWaalsContact NH2-CB 3.34Å; R46-A78 HydrophobicContact CG-CB 4.37Å; R46-R81 VanDerWaalsContact C-NH1 3.31Å; R46-R81 PolarHBondContact O-NH1 3.31Å |
| 47 | N | 92 | Very high | 89.8 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | 179.3 | -71.4 | 0.5 | 0 | 0 | 0 | 111 | N12 Y27 V43 L44 Q45 Q50 C51 | N12-N47 PolarHBondContact OD1-ND2 2.97Å; Y27-N47 HydrophobicContact CD2-CB 4.35Å; Y27-N47 HydrophobicContact CE1-CB 4.12Å; Y27-N47 HydrophobicContact CE2-CB 3.76Å; Y27-N47 PolarHBondContact OH-ND2 3.31Å; V43-N47 PolarHBondContact O-N 3.31Å; V43-N47 PolarHBondContact O-OD1 3.48Å; L44-N47 PolarHBondContact O-N 3.25Å; Q45-N47 PolarHBondContact O-N 3.16Å; N47-Q50 WeakPolarHBondContact O-CB 3.26Å; N47-Q50 PolarHBondContact O-N 2.89Å; N47-C51 PolarHBondContact O-N 3.05Å; N47-C51 PolarHBondContact O-SG 3.22Å |
| 48 | K | 92.9 | Very high | 90.2 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 174.5 | -170.1 | 176.9 | -175.8 | 174.4 | 0 | 112.3 | I24 D28 L44 Q45 R46 Q50 C51 F52 A64 | I24-K48 HydrophobicContact CG1-CG 4.38Å; I24-K48 HydrophobicContact CG2-CD 4.48Å; I24-K48 HydrophobicContact CG2-CG 4.3Å; D28-K48 VanDerWaalsContact CG-NZ 3.27Å; D28-K48 WeakPolarHBondContact OD1-CE 3.2Å; D28-K48 IonicContact OD1-NZ 3.09Å; D28-K48 PolarHBondContact OD1-NZ 3.45Å; D28-K48 IonicContact OD2-NZ 2.88Å; D28-K48 PolarHBondContact OD2-NZ 2.97Å; L44-K48 WeakPolarHBondContact O-CB 3.37Å; L44-K48 PolarHBondContact O-N 2.86Å; Q45-K48 PolarHBondContact O-N 3.31Å; R46-K48 VanDerWaalsContact C-N 3.33Å; K48-Q50 VanDerWaalsContact C-N 3.27Å; K48-Q50 PolarHBondContact O-N 2.88Å; K48-C51 WeakPolarHBondContact O-CB 3.38Å; K48-C51 PolarHBondContact O-N 2.96Å; K48-F52 HydrophobicContact CD-CE2 3.99Å; K48-F52 VanDerWaalsContact CE-CE2 3.46Å; K48-F52 HydrophobicContact CG-CD2 4.01Å; K48-F52 HydrophobicContact CG-CE2 3.56Å; K48-F52 HydrophobicContact CG-CZ 4.28Å; K48-F52 WeakPolarHBondContact O-CD2 3.12Å; K48-F52 PolarHBondContact O-N 3.12Å; K48-A64 HydrophobicContact CB-CB 4.46Å; K48-A64 HydrophobicContact CG-CB 4.34Å |
| 49 | A | 92.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.4 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q45 R46 F52 L53 A64 A65 | Q45-A49 WeakPolarHBondContact O-CB 3.5Å; Q45-A49 PolarHBondContact O-N 3.5Å; R46-A49 PolarHBondContact O-N 3.19Å; A49-F52 PolarHBondContact O-N 3.33Å; A49-L53 WeakPolarHBondContact O-CG 3.45Å; A49-L53 PolarHBondContact O-N 3.47Å; A49-A64 HydrophobicContact CB-CB 3.82Å; A49-A65 HydrophobicContact CB-CB 4.15Å |
| 50 | Q | 93.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 19% | 0.192 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 174.4 | -167.8 | 61.9 | 56.3 | 0 | 0 | 112.5 | F15 R46 N47 K48 F52 L53 N54 | F15-Q50 HydrophobicContact CE2-CB 4.3Å; F15-Q50 HydrophobicContact CE2-CG 4.03Å; F15-Q50 HydrophobicContact CZ-CB 4.37Å; F15-Q50 HydrophobicContact CZ-CG 3.73Å; R46-Q50 PolarHBondContact O-N 3.05Å; R46-Q50 VanDerWaalsContact O-N 3.16Å; N47-Q50 WeakPolarHBondContact O-CB 3.26Å; N47-Q50 PolarHBondContact O-N 2.89Å; K48-Q50 VanDerWaalsContact C-N 3.27Å; K48-Q50 PolarHBondContact O-N 2.88Å; Q50-F52 VanDerWaalsContact C-N 3.31Å; Q50-F52 PolarHBondContact O-N 2.78Å; Q50-L53 PolarHBondContact O-N 3.02Å; Q50-N54 PolarHBondContact NE2-OD1 2.69Å; Q50-N54 WeakPolarHBondContact O-CB 3.3Å; Q50-N54 VanDerWaalsContact O-CG 3.29Å; Q50-N54 PolarHBondContact O-N 3.47Å; Q50-N54 PolarHBondContact O-OD1 3.42Å |
| 51 | C | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 176.3 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | F15 I24 N47 K48 N54 L55 | F15-C51 WeakPolarHBondContact CD2-SG 3.48Å; I24-C51 HydrophobicContact CD1-CB 3.56Å; I24-C51 HydrophobicContact CG1-CB 3.49Å; I24-C51 VanDerWaalsContact CG1-CB 3.49Å; N47-C51 PolarHBondContact O-N 3.05Å; N47-C51 PolarHBondContact O-SG 3.22Å; K48-C51 WeakPolarHBondContact O-CB 3.38Å; K48-C51 PolarHBondContact O-N 2.96Å; C51-N54 PolarHBondContact O-N 2.75Å; C51-L55 VanDerWaalsContact O-CG 3.29Å; C51-L55 WeakPolarHBondContact O-CG 3.17Å; C51-L55 PolarHBondContact O-N 3.01Å |
| 52 | F | 94 | Very high | 91.3 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 14% | 0.136 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.1 | -39.6 | 178.3 | -71.9 | -51.3 | 0 | 0 | 0 | 113.8 | I24 K48 A49 Q50 N54 L55 G56 N57 D60 A61 A64 | I24-F52 HydrophobicContact CD1-CD1 3.93Å; I24-F52 HydrophobicContact CD1-CE1 3.75Å; I24-F52 HydrophobicContact CD1-CZ 4.24Å; I24-F52 HydrophobicContact CG2-CZ 4.43Å; K48-F52 HydrophobicContact CD-CE2 3.99Å; K48-F52 VanDerWaalsContact CE-CE2 3.46Å; K48-F52 HydrophobicContact CG-CD2 4.01Å; K48-F52 HydrophobicContact CG-CE2 3.56Å; K48-F52 HydrophobicContact CG-CZ 4.28Å; K48-F52 WeakPolarHBondContact O-CD2 3.12Å; K48-F52 PolarHBondContact O-N 3.12Å; A49-F52 PolarHBondContact O-N 3.33Å; Q50-F52 VanDerWaalsContact C-N 3.31Å; Q50-F52 PolarHBondContact O-N 2.78Å; F52-N54 VanDerWaalsContact C-N 3.32Å; F52-N54 PolarHBondContact O-N 3.48Å; F52-L55 CarbonylContact O-C 3.51Å; F52-L55 PolarHBondContact O-N 3.36Å; F52-L55 VanDerWaalsContact O-N 3.16Å; F52-G56 PolarHBondContact O-N 3.3Å; F52-G56 VanDerWaalsContact O-N 3.17Å; F52-N57 PolarHBondContact O-N 3.48Å; F52-D60 HydrophobicContact CB-CB 4.44Å; F52-D60 HydrophobicContact CD1-CB 3.83Å; F52-D60 HydrophobicContact CD2-CB 3.82Å; F52-D60 WeakPolarHBondContact CD2-O 3.46Å; F52-D60 HydrophobicContact CE1-CB 3.91Å; F52-D60 HydrophobicContact CE2-CB 3.86Å; F52-D60 HydrophobicContact CG-CB 3.81Å; F52-D60 HydrophobicContact CZ-CB 3.93Å; F52-A61 HydrophobicContact CB-CB 3.75Å; F52-A64 HydrophobicContact CD2-CB 4.12Å; F52-A64 HydrophobicContact CE2-CB 4.3Å |
| 53 | L | 92.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 172.6 | -74.8 | 175.1 | 0 | 0 | 0 | 111.5 | A49 Q50 L55 G56 F58 A61 R81 Q84 A85 | A49-L53 WeakPolarHBondContact O-CG 3.45Å; A49-L53 PolarHBondContact O-N 3.47Å; Q50-L53 PolarHBondContact O-N 3.02Å; L53-L55 PolarHBondContact O-N 3.05Å; L53-G56 PolarHBondContact O-N 2.99Å; L53-F58 HydrophobicContact CD2-CD1 4.12Å; L53-A61 HydrophobicContact CD2-CB 3.63Å; L53-A61 HydrophobicContact CG-CB 3.72Å; L53-R81 HydrophobicContact CD1-CB 3.62Å; L53-R81 HydrophobicContact CD1-CG 3.64Å; L53-Q84 HydrophobicContact CD1-CB 4.47Å; L53-Q84 HydrophobicContact CD2-CB 4.44Å; L53-A85 HydrophobicContact CD2-CB 4.25Å |
| 54 | N | 90.6 | Very high | 91.6 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.4 | -26.3 | 177.7 | -69.9 | 7.8 | 0 | 0 | 0 | 112.4 | Y20 Q50 C51 F52 G56 | Y20-N54 HydrophobicContact CD2-CB 3.98Å; Y20-N54 HydrophobicContact CE2-CB 3.77Å; Y20-N54 HydrophobicContact CG-CB 4.44Å; Y20-N54 PolarHBondContact OH-ND2 3.04Å; Q50-N54 PolarHBondContact NE2-OD1 2.69Å; Q50-N54 WeakPolarHBondContact O-CB 3.3Å; Q50-N54 VanDerWaalsContact O-CG 3.29Å; Q50-N54 PolarHBondContact O-N 3.47Å; Q50-N54 PolarHBondContact O-OD1 3.42Å; C51-N54 PolarHBondContact O-N 2.75Å; F52-N54 VanDerWaalsContact C-N 3.32Å; F52-N54 PolarHBondContact O-N 3.48Å; N54-G56 VanDerWaalsContact C-N 3.29Å |
| 55 | L | 89.9 | Confident | 91.7 | Very high | 70 Ų | 70 | 35.9 Ų | 35.9 | 37% | 0.366 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.5 | 172.5 | -69.5 | 170.6 | 0 | 0 | 0 | 113.2 | Y20 R21 I24 C51 F52 L53 N57 | Y20-L55 HydrophobicContact CD2-CD2 4.44Å; R21-L55 HydrophobicContact CG-CD1 4Å; R21-L55 HydrophobicContact CG-CD2 4.34Å; I24-L55 HydrophobicContact CD1-CD1 3.88Å; C51-L55 VanDerWaalsContact O-CG 3.29Å; C51-L55 WeakPolarHBondContact O-CG 3.17Å; C51-L55 PolarHBondContact O-N 3.01Å; F52-L55 CarbonylContact O-C 3.51Å; F52-L55 PolarHBondContact O-N 3.36Å; F52-L55 VanDerWaalsContact O-N 3.16Å; L53-L55 PolarHBondContact O-N 3.05Å; L55-N57 PolarHBondContact O-N 3.01Å |
| 56 | G | 86.9 | Confident | 91.7 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 9.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F52 L53 N54 F58 | F52-G56 PolarHBondContact O-N 3.3Å; F52-G56 VanDerWaalsContact O-N 3.17Å; L53-G56 PolarHBondContact O-N 2.99Å; N54-G56 VanDerWaalsContact C-N 3.29Å; G56-F58 PolarHBondContact O-N 3.17Å |
| 57 | N | 91.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 41 Ų | 41 | 31% | 0.305 | 23% | 0.226 | S | C | . | . | trans | -92.7 | 86.4 | -179.8 | -172.3 | -14.7 | 0 | 0 | 0 | 110.1 | F52 L55 S59 D60 A61 | F52-N57 PolarHBondContact O-N 3.48Å; L55-N57 PolarHBondContact O-N 3.01Å; N57-S59 VanDerWaalsContact C-N 3.33Å; N57-S59 PolarHBondContact O-N 2.68Å; N57-S59 PolarHBondContact OD1-OG 2.93Å; N57-D60 PolarHBondContact ND2-OD2 3.48Å; N57-D60 PolarHBondContact OD1-N 3.09Å; N57-A61 VanDerWaalsContact O-CB 3.3Å; N57-A61 WeakPolarHBondContact O-CB 3.45Å; N57-A61 PolarHBondContact O-N 3.38Å; N57-A61 VanDerWaalsContact O-N 3.09Å | ||
| 58 | F | 91.2 | Very high | 91.6 | Very high | 79 Ų | 79 | 39.4 Ų | 39.4 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.3 | -27 | -173.5 | -55.2 | -61.4 | 0 | 0 | 0 | 113.8 | L53 G56 L62 | L53-F58 HydrophobicContact CD2-CD1 4.12Å; G56-F58 PolarHBondContact O-N 3.17Å; F58-L62 WeakPolarHBondContact O-CB 3.2Å; F58-L62 PolarHBondContact O-N 3.16Å |
| 59 | S | 88.9 | Confident | 91.5 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.9 | -51.4 | 176.3 | 31.7 | 0 | 0 | 0 | 0 | 112 | N57 A61 L62 T63 | N57-S59 VanDerWaalsContact C-N 3.33Å; N57-S59 PolarHBondContact O-N 2.68Å; N57-S59 PolarHBondContact OD1-OG 2.93Å; S59-A61 VanDerWaalsContact C-N 3.31Å; S59-A61 PolarHBondContact O-N 2.8Å; S59-L62 WeakPolarHBondContact O-CB 3.47Å; S59-L62 PolarHBondContact O-N 3.27Å; S59-T63 PolarHBondContact O-N 3.4Å; S59-T63 PolarHBondContact O-OG1 3.41Å; S59-T63 VanDerWaalsContact O-OG1 3.06Å |
| 60 | D | 91.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.8 | -31 | -178.9 | -66.3 | -26.7 | 0 | 0 | 0 | 111.6 | F52 N57 T63 A64 | F52-D60 HydrophobicContact CB-CB 4.44Å; F52-D60 HydrophobicContact CD1-CB 3.83Å; F52-D60 HydrophobicContact CD2-CB 3.82Å; F52-D60 WeakPolarHBondContact CD2-O 3.46Å; F52-D60 HydrophobicContact CE1-CB 3.91Å; F52-D60 HydrophobicContact CE2-CB 3.86Å; F52-D60 HydrophobicContact CG-CB 3.81Å; F52-D60 HydrophobicContact CZ-CB 3.93Å; N57-D60 PolarHBondContact ND2-OD2 3.48Å; N57-D60 PolarHBondContact OD1-N 3.09Å; D60-T63 PolarHBondContact O-N 2.9Å; D60-A64 WeakPolarHBondContact O-CB 3.5Å; D60-A64 PolarHBondContact O-N 3.36Å |
| 61 | A | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F52 L53 N57 S59 A65 | F52-A61 HydrophobicContact CB-CB 3.75Å; L53-A61 HydrophobicContact CD2-CB 3.63Å; L53-A61 HydrophobicContact CG-CB 3.72Å; N57-A61 VanDerWaalsContact O-CB 3.3Å; N57-A61 WeakPolarHBondContact O-CB 3.45Å; N57-A61 PolarHBondContact O-N 3.38Å; N57-A61 VanDerWaalsContact O-N 3.09Å; S59-A61 VanDerWaalsContact C-N 3.31Å; S59-A61 PolarHBondContact O-N 2.8Å; A61-A65 WeakPolarHBondContact O-CB 3.47Å; A61-A65 PolarHBondContact O-N 3.25Å |
| 62 | L | 92 | Very high | 90.9 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.7 | -167.1 | 74.1 | 0 | 0 | 0 | 110.5 | F58 S59 A65 L66 C82 A85 Y86 | F58-L62 WeakPolarHBondContact O-CB 3.2Å; F58-L62 PolarHBondContact O-N 3.16Å; S59-L62 WeakPolarHBondContact O-CB 3.47Å; S59-L62 PolarHBondContact O-N 3.27Å; L62-A65 PolarHBondContact O-N 2.98Å; L62-L66 HydrophobicContact CD2-CD1 4.38Å; L62-L66 HydrophobicContact CG-CD1 3.95Å; L62-L66 HydrophobicContact CG-CG 4.35Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.08Å; L62-C82 VanDerWaalsContact CD1-SG 3.57Å; L62-A85 HydrophobicContact CB-CB 4.09Å; L62-A85 HydrophobicContact CD1-CB 3.88Å; L62-Y86 HydrophobicContact CD1-CD1 4.35Å; L62-Y86 HydrophobicContact CD1-CD2 4.18Å; L62-Y86 HydrophobicContact CD1-CE1 4.09Å; L62-Y86 HydrophobicContact CD1-CE2 3.94Å; L62-Y86 HydrophobicContact CD1-CG 4.38Å; L62-Y86 HydrophobicContact CD2-CE1 3.96Å |
| 63 | T | 93.3 | Very high | 90.6 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -51.4 | 177.9 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | S59 D60 A65 L66 E67 | S59-T63 PolarHBondContact O-N 3.4Å; S59-T63 PolarHBondContact O-OG1 3.41Å; S59-T63 VanDerWaalsContact O-OG1 3.06Å; D60-T63 PolarHBondContact O-N 2.9Å; T63-A65 VanDerWaalsContact C-N 3.33Å; T63-A65 PolarHBondContact O-N 2.94Å; T63-L66 PolarHBondContact O-N 3.26Å; T63-E67 WeakPolarHBondContact O-CG 3.46Å; T63-E67 PolarHBondContact O-N 2.88Å |
| 64 | A | 91.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -35.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K48 A49 F52 D60 A68 | K48-A64 HydrophobicContact CB-CB 4.46Å; K48-A64 HydrophobicContact CG-CB 4.34Å; A49-A64 HydrophobicContact CB-CB 3.82Å; F52-A64 HydrophobicContact CD2-CB 4.12Å; F52-A64 HydrophobicContact CE2-CB 4.3Å; D60-A64 WeakPolarHBondContact O-CB 3.5Å; D60-A64 PolarHBondContact O-N 3.36Å; A64-A68 WeakPolarHBondContact O-CB 3.24Å; A64-A68 PolarHBondContact O-N 3.32Å |
| 65 | A | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A49 A61 L62 T63 A68 L69 R81 C82 | A49-A65 HydrophobicContact CB-CB 4.15Å; A61-A65 WeakPolarHBondContact O-CB 3.47Å; A61-A65 PolarHBondContact O-N 3.25Å; L62-A65 PolarHBondContact O-N 2.98Å; T63-A65 VanDerWaalsContact C-N 3.33Å; T63-A65 PolarHBondContact O-N 2.94Å; A65-A68 WeakPolarHBondContact O-CB 3.42Å; A65-A68 PolarHBondContact O-N 3.41Å; A65-L69 WeakPolarHBondContact O-CB 3.48Å; A65-L69 VanDerWaalsContact O-CG 3.23Å; A65-L69 WeakPolarHBondContact O-CG 3.2Å; A65-L69 PolarHBondContact O-N 2.88Å; A65-R81 HydrophobicContact CB-CB 4.41Å; A65-C82 HydrophobicContact CB-CB 4.12Å |
| 66 | L | 92.3 | Very high | 90.1 | Very high | 75 Ų | 75 | 44.7 Ų | 44.7 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 175.7 | -71.8 | 173.4 | 0 | 0 | 0 | 111.8 | L62 T63 A68 L69 S70 | L62-L66 HydrophobicContact CD2-CD1 4.38Å; L62-L66 HydrophobicContact CG-CD1 3.95Å; L62-L66 HydrophobicContact CG-CG 4.35Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.08Å; T63-L66 PolarHBondContact O-N 3.26Å; L66-A68 VanDerWaalsContact C-N 3.35Å; L66-L69 HydrophobicContact CD2-CD1 4.38Å; L66-L69 CarbonylContact O-C 3.57Å; L66-L69 PolarHBondContact O-N 3.22Å; L66-S70 PolarHBondContact O-N 3.15Å |
| 67 | E | 91.7 | Very high | 90.2 | Very high | 85 Ų | 85 | 48.5 Ų | 48.5 | 40% | 0.397 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 171 | -75.2 | -177.4 | -169.3 | 0 | 0 | 111.9 | Q45 T63 L69 S70 I71 | Q45-E67 VanDerWaalsContact CD-OE2 3.26Å; Q45-E67 HydrophobicContact CG-CB 4.43Å; Q45-E67 PolarHBondContact NE2-OE2 3.35Å; Q45-E67 PolarHBondContact OE1-OE2 3Å; T63-E67 WeakPolarHBondContact O-CG 3.46Å; T63-E67 PolarHBondContact O-N 2.88Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-S70 PolarHBondContact O-N 3.35Å; E67-S70 PolarHBondContact O-OG 2.93Å; E67-I71 WeakPolarHBondContact O-CG1 3.41Å; E67-I71 PolarHBondContact O-N 3.34Å |
| 68 | A | 90.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L42 Q45 R46 A64 A65 L66 I71 S72 A78 | L42-A68 HydrophobicContact CD1-CB 4.08Å; L42-A68 VanDerWaalsContact CD1-O 3.24Å; L42-A68 WeakPolarHBondContact CD1-O 3.45Å; Q45-A68 HydrophobicContact CB-CB 3.97Å; R46-A68 HydrophobicContact CG-CB 3.95Å; A64-A68 WeakPolarHBondContact O-CB 3.24Å; A64-A68 PolarHBondContact O-N 3.32Å; A65-A68 WeakPolarHBondContact O-CB 3.42Å; A65-A68 PolarHBondContact O-N 3.41Å; L66-A68 VanDerWaalsContact C-N 3.35Å; A68-I71 PolarHBondContact O-N 3.25Å; A68-S72 PolarHBondContact O-N 3.28Å; A68-A78 HydrophobicContact CB-CB 3.73Å |
| 69 | L | 90.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.2 | -26.2 | 177.5 | -68.8 | 169 | 0 | 0 | 0 | 113.2 | A65 L66 E67 I71 S72 P73 A78 L79 C82 | A65-L69 WeakPolarHBondContact O-CB 3.48Å; A65-L69 VanDerWaalsContact O-CG 3.23Å; A65-L69 WeakPolarHBondContact O-CG 3.2Å; A65-L69 PolarHBondContact O-N 2.88Å; L66-L69 HydrophobicContact CD2-CD1 4.38Å; L66-L69 CarbonylContact O-C 3.57Å; L66-L69 PolarHBondContact O-N 3.22Å; E67-L69 VanDerWaalsContact C-N 3.34Å; L69-I71 VanDerWaalsContact C-N 3.3Å; L69-S72 WeakPolarHBondContact CA-O 3.36Å; L69-S72 CarbonylContact O-C 3.57Å; L69-P73 WeakPolarHBondContact O-CA 3.33Å; L69-P73 WeakPolarHBondContact O-CD 3.44Å; L69-P73 WeakPolarHBondContact O-CG 3.42Å; L69-A78 HydrophobicContact CD2-CB 3.72Å; L69-A78 HydrophobicContact CG-CB 3.8Å; L69-L79 HydrophobicContact CD1-CD2 3.87Å; L69-L79 HydrophobicContact CD2-CB 4.49Å; L69-L79 HydrophobicContact CD2-CD2 3.59Å; L69-L79 HydrophobicContact CD2-CG 3.64Å; L69-L79 HydrophobicContact CG-CD2 4.4Å; L69-C82 HydrophobicContact CD1-CB 4.11Å |
| 70 | S | 89.6 | Confident | 90.5 | Very high | 95 Ų | 95 | 42 Ų | 42 | 66% | 0.664 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -70.6 | -30.9 | 173.6 | 75.6 | 0 | 0 | 0 | 0 | 111.5 | L66 E67 | L66-S70 PolarHBondContact O-N 3.15Å; E67-S70 PolarHBondContact O-N 3.35Å; E67-S70 PolarHBondContact O-OG 2.93Å |
| 71 | I | 88.8 | Confident | 90.6 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -77.5 | -44.2 | 173.7 | -59.8 | 166.5 | 0 | 0 | 0 | 110.8 | K38 K41 L42 E67 A68 L69 | K38-I71 HydrophobicContact CB-CG2 4.25Å; K41-I71 HydrophobicContact CB-CD1 3.88Å; L42-I71 HydrophobicContact CB-CG2 4.05Å; L42-I71 HydrophobicContact CD1-CB 4.42Å; E67-I71 WeakPolarHBondContact O-CG1 3.41Å; E67-I71 PolarHBondContact O-N 3.34Å; A68-I71 PolarHBondContact O-N 3.25Å; L69-I71 VanDerWaalsContact C-N 3.3Å |
| 72 | S | 87.9 | Confident | 90.6 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | trans | -138.7 | 95.7 | 177 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | A68 L69 G74 D75 | A68-S72 PolarHBondContact O-N 3.28Å; L69-S72 WeakPolarHBondContact CA-O 3.36Å; L69-S72 CarbonylContact O-C 3.57Å; S72-G74 PolarHBondContact O-N 2.93Å; S72-G74 VanDerWaalsContact O-N 3.1Å; S72-D75 PolarHBondContact O-N 3.26Å; S72-D75 VanDerWaalsContact O-N 3.08Å | ||
| 73 | P | 86.7 | Confident | 90.7 | Very high | 94 Ų | 94 | 39.2 Ų | 39.2 | 61% | 0.61 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.6 | -176.4 | -26.6 | 34.2 | 0 | 0 | 0 | 114.5 | L69 | L69-P73 WeakPolarHBondContact O-CA 3.33Å; L69-P73 WeakPolarHBondContact O-CD 3.44Å; L69-P73 WeakPolarHBondContact O-CG 3.42Å |
| 74 | G | 86 | Confident | 90.6 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 22.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S72 P76 V105 | S72-G74 PolarHBondContact O-N 2.93Å; S72-G74 VanDerWaalsContact O-N 3.1Å; G74-P76 WeakPolarHBondContact O-CD 3.46Å; G74-V105 WeakPolarHBondContact O-CG1 3.49Å |
| 75 | D | 88.2 | Confident | 90.7 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | trans | -75.6 | 115.5 | 174.7 | -174.7 | 81.6 | 0 | 0 | 0 | 111.1 | L42 R46 S72 K77 A78 L79 | L42-D75 HydrophobicContact CD1-CB 4.41Å; R46-D75 WeakPolarHBondContact CD-OD2 3.29Å; R46-D75 VanDerWaalsContact CZ-CG 3.45Å; R46-D75 IonicContact CZ-OD1 2.78Å; R46-D75 IonicContact CZ-OD2 3.02Å; R46-D75 VanDerWaalsContact NE-CG 3.29Å; R46-D75 IonicContact NE-OD1 2.67Å; R46-D75 PolarHBondContact NE-OD1 2.97Å; R46-D75 IonicContact NE-OD2 3.05Å; R46-D75 PolarHBondContact NE-OD2 2.97Å; R46-D75 IonicContact NH1-OD1 2.75Å; R46-D75 PolarHBondContact NH1-OD1 3.38Å; R46-D75 VanDerWaalsContact NH2-CG 3.33Å; R46-D75 IonicContact NH2-OD1 2.74Å; R46-D75 PolarHBondContact NH2-OD1 3.04Å; R46-D75 IonicContact NH2-OD2 3.41Å; R46-D75 PolarHBondContact NH2-OD2 2.97Å; S72-D75 PolarHBondContact O-N 3.26Å; S72-D75 VanDerWaalsContact O-N 3.08Å; D75-K77 VanDerWaalsContact C-N 3.3Å; D75-K77 PolarHBondContact O-N 3.36Å; D75-K77 WeakPolarHBondContact OD2-CA 3.33Å; D75-K77 PolarHBondContact OD2-N 3Å; D75-K77 VanDerWaalsContact OD2-N 3.08Å; D75-A78 HydrophobicContact CB-CB 3.97Å; D75-A78 PolarHBondContact O-N 3.17Å; D75-A78 PolarHBondContact OD2-N 3.06Å; D75-L79 PolarHBondContact O-N 3.01Å | ||
| 76 | P | 88.5 | Confident | 90.8 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 22% | 0.221 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -33.6 | -175.4 | -23 | 34.4 | 0 | 0 | 0 | 113.1 | G74 Y80 L102 V105 D106 | G74-P76 WeakPolarHBondContact O-CD 3.46Å; P76-Y80 WeakPolarHBondContact O-CB 3.45Å; P76-Y80 PolarHBondContact O-N 3.46Å; P76-L102 HydrophobicContact CB-CD1 3.77Å; P76-L102 WeakPolarHBondContact O-CD1 3.42Å; P76-V105 HydrophobicContact CG-CG1 4.03Å; P76-D106 HydrophobicContact CB-CB 3.99Å; P76-D106 HydrophobicContact CG-CB 4.06Å |
| 77 | K | 90.6 | Very high | 90.7 | Very high | 122 Ų | 122 | 40.7 Ų | 40.7 | 53% | 0.53 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.6 | -35 | -179.6 | -57.3 | -173.1 | -165.5 | 177.3 | 0 | 111.5 | R46 D75 R81 | R46-K77 VanDerWaalsContact NH2-CB 3.34Å; D75-K77 VanDerWaalsContact C-N 3.3Å; D75-K77 PolarHBondContact O-N 3.36Å; D75-K77 WeakPolarHBondContact OD2-CA 3.33Å; D75-K77 PolarHBondContact OD2-N 3Å; D75-K77 VanDerWaalsContact OD2-N 3.08Å; K77-R81 WeakPolarHBondContact O-CD 3.33Å; K77-R81 WeakPolarHBondContact O-CG 3.4Å; K77-R81 PolarHBondContact O-N 3.44Å; K77-R81 VanDerWaalsContact O-N 3.16Å |
| 78 | A | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.4 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R46 A68 L69 D75 R81 C82 | R46-A78 HydrophobicContact CG-CB 4.37Å; A68-A78 HydrophobicContact CB-CB 3.73Å; L69-A78 HydrophobicContact CD2-CB 3.72Å; L69-A78 HydrophobicContact CG-CB 3.8Å; D75-A78 HydrophobicContact CB-CB 3.97Å; D75-A78 PolarHBondContact O-N 3.17Å; D75-A78 PolarHBondContact OD2-N 3.06Å; A78-R81 PolarHBondContact O-N 3.4Å; A78-C82 WeakPolarHBondContact O-CB 3.17Å; A78-C82 PolarHBondContact O-N 3.07Å |
| 79 | L | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 173.5 | -74.3 | 177.2 | 0 | 0 | 0 | 112.1 | L69 D75 R81 C82 A83 T98 L102 V105 | L69-L79 HydrophobicContact CD1-CD2 3.87Å; L69-L79 HydrophobicContact CD2-CB 4.49Å; L69-L79 HydrophobicContact CD2-CD2 3.59Å; L69-L79 HydrophobicContact CD2-CG 3.64Å; L69-L79 HydrophobicContact CG-CD2 4.4Å; D75-L79 PolarHBondContact O-N 3.01Å; L79-R81 PolarHBondContact O-N 3.31Å; L79-C82 WeakPolarHBondContact O-CB 3.46Å; L79-C82 PolarHBondContact O-N 3.13Å; L79-A83 PolarHBondContact O-N 3.37Å; L79-T98 HydrophobicContact CD2-CG2 4.48Å; L79-L102 HydrophobicContact CB-CB 4.06Å; L79-L102 HydrophobicContact CB-CD1 3.93Å; L79-L102 HydrophobicContact CB-CG 4.44Å; L79-L102 HydrophobicContact CD1-CB 4.41Å; L79-L102 HydrophobicContact CD1-CD1 4.43Å; L79-V105 HydrophobicContact CD1-CB 4.3Å; L79-V105 HydrophobicContact CD1-CG2 3.98Å |
| 80 | Y | 92.5 | Very high | 90.3 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 177.8 | -173.2 | -109.7 | 0 | 0 | 0 | 112 | P76 C82 A83 Q84 L102 A111 L115 | P76-Y80 WeakPolarHBondContact O-CB 3.45Å; P76-Y80 PolarHBondContact O-N 3.46Å; Y80-C82 VanDerWaalsContact C-N 3.29Å; Y80-C82 PolarHBondContact O-N 3.06Å; Y80-A83 PolarHBondContact O-N 3.28Å; Y80-Q84 VanDerWaalsContact CE1-CD 3.5Å; Y80-Q84 HydrophobicContact CE1-CG 4.29Å; Y80-Q84 WeakPolarHBondContact O-CG 3.21Å; Y80-Q84 PolarHBondContact O-N 3.24Å; Y80-L102 HydrophobicContact CD2-CD2 3.57Å; Y80-L102 HydrophobicContact CG-CD2 4.06Å; Y80-A111 HydrophobicContact CE2-CB 3.88Å; Y80-A111 WeakPolarHBondContact CE2-O 3.47Å; Y80-L115 HydrophobicContact CD2-CD2 4.4Å; Y80-L115 HydrophobicContact CE2-CB 4.46Å; Y80-L115 HydrophobicContact CE2-CD2 4.09Å |
| 81 | R | 92.8 | Very high | 90.3 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 177.2 | -68.8 | 173.4 | -175.1 | 140.2 | -11.4 | 112.6 | R46 L53 A65 K77 A78 L79 A85 | R46-R81 VanDerWaalsContact C-NH1 3.31Å; R46-R81 PolarHBondContact O-NH1 3.31Å; L53-R81 HydrophobicContact CD1-CB 3.62Å; L53-R81 HydrophobicContact CD1-CG 3.64Å; A65-R81 HydrophobicContact CB-CB 4.41Å; K77-R81 WeakPolarHBondContact O-CD 3.33Å; K77-R81 WeakPolarHBondContact O-CG 3.4Å; K77-R81 PolarHBondContact O-N 3.44Å; K77-R81 VanDerWaalsContact O-N 3.16Å; A78-R81 PolarHBondContact O-N 3.4Å; L79-R81 PolarHBondContact O-N 3.31Å; R81-A85 WeakPolarHBondContact O-CB 3.33Å; R81-A85 PolarHBondContact O-N 3.2Å |
| 82 | C | 93.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 174.6 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | L62 A65 L69 A78 L79 Y80 Q84 A85 Y86 T98 | L62-C82 VanDerWaalsContact CD1-SG 3.57Å; A65-C82 HydrophobicContact CB-CB 4.12Å; L69-C82 HydrophobicContact CD1-CB 4.11Å; A78-C82 WeakPolarHBondContact O-CB 3.17Å; A78-C82 PolarHBondContact O-N 3.07Å; L79-C82 WeakPolarHBondContact O-CB 3.46Å; L79-C82 PolarHBondContact O-N 3.13Å; Y80-C82 VanDerWaalsContact C-N 3.29Å; Y80-C82 PolarHBondContact O-N 3.06Å; C82-Q84 PolarHBondContact O-N 3.11Å; C82-A85 PolarHBondContact O-N 2.92Å; C82-A85 VanDerWaalsContact O-N 3.17Å; C82-Y86 WeakPolarHBondContact O-CD2 3.49Å; C82-Y86 PolarHBondContact O-N 2.96Å; C82-Y86 VanDerWaalsContact SG-CE2 3.54Å; C82-T98 HydrophobicContact CB-CG2 4.05Å |
| 83 | A | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L79 Y80 A85 Y86 E87 T98 L115 | L79-A83 PolarHBondContact O-N 3.37Å; Y80-A83 PolarHBondContact O-N 3.28Å; A83-A85 VanDerWaalsContact C-N 3.32Å; A83-A85 PolarHBondContact O-N 3.22Å; A83-Y86 PolarHBondContact O-N 3.15Å; A83-E87 PolarHBondContact O-N 2.99Å; A83-T98 HydrophobicContact CB-CG2 3.96Å; A83-L115 HydrophobicContact CB-CD2 3.7Å |
| 84 | Q | 93 | Very high | 90.4 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 174.2 | -69.6 | -175.5 | -56.9 | 0 | 0 | 112.4 | L53 Y80 C82 G88 L115 | L53-Q84 HydrophobicContact CD1-CB 4.47Å; L53-Q84 HydrophobicContact CD2-CB 4.44Å; Y80-Q84 VanDerWaalsContact CE1-CD 3.5Å; Y80-Q84 HydrophobicContact CE1-CG 4.29Å; Y80-Q84 WeakPolarHBondContact O-CG 3.21Å; Y80-Q84 PolarHBondContact O-N 3.24Å; C82-Q84 PolarHBondContact O-N 3.11Å; Q84-G88 PolarHBondContact O-N 3.02Å; Q84-L115 HydrophobicContact CG-CD2 4.2Å |
| 85 | A | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.2 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L53 L62 R81 C82 A83 K89 | L53-A85 HydrophobicContact CD2-CB 4.25Å; L62-A85 HydrophobicContact CB-CB 4.09Å; L62-A85 HydrophobicContact CD1-CB 3.88Å; R81-A85 WeakPolarHBondContact O-CB 3.33Å; R81-A85 PolarHBondContact O-N 3.2Å; C82-A85 PolarHBondContact O-N 2.92Å; C82-A85 VanDerWaalsContact O-N 3.17Å; A83-A85 VanDerWaalsContact C-N 3.32Å; A83-A85 PolarHBondContact O-N 3.22Å; A85-K89 PolarHBondContact O-N 2.85Å |
| 86 | Y | 94.5 | Very high | 90.6 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 174.5 | -78.9 | -55.4 | 0 | 0 | 0 | 113 | L62 C82 A83 G88 K89 G90 M91 E94 | L62-Y86 HydrophobicContact CD1-CD1 4.35Å; L62-Y86 HydrophobicContact CD1-CD2 4.18Å; L62-Y86 HydrophobicContact CD1-CE1 4.09Å; L62-Y86 HydrophobicContact CD1-CE2 3.94Å; L62-Y86 HydrophobicContact CD1-CG 4.38Å; L62-Y86 HydrophobicContact CD2-CE1 3.96Å; C82-Y86 WeakPolarHBondContact O-CD2 3.49Å; C82-Y86 PolarHBondContact O-N 2.96Å; C82-Y86 VanDerWaalsContact SG-CE2 3.54Å; A83-Y86 PolarHBondContact O-N 3.15Å; Y86-G88 VanDerWaalsContact C-N 3.34Å; Y86-K89 PolarHBondContact O-N 3.06Å; Y86-K89 VanDerWaalsContact O-N 3.12Å; Y86-G90 PolarHBondContact O-N 3.48Å; Y86-M91 HydrophobicContact CD1-CB 4.45Å; Y86-M91 HydrophobicContact CD1-SD 4.37Å; Y86-M91 PolarHBondContact O-N 3.41Å; Y86-E94 HydrophobicContact CD1-CB 4.17Å; Y86-E94 HydrophobicContact CE1-CB 4.37Å; Y86-E94 HydrophobicContact CG-CB 4.29Å |
| 87 | E | 91 | Very high | 90.7 | Very high | 78 Ų | 78 | 54.1 Ų | 54.1 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.3 | -47.5 | 174 | -178.5 | -173.6 | -154.1 | 0 | 0 | 110.6 | A83 K89 G90 A95 L115 L119 | A83-E87 PolarHBondContact O-N 2.99Å; E87-K89 PolarHBondContact O-N 3.02Å; E87-K89 VanDerWaalsContact O-N 3.1Å; E87-G90 PolarHBondContact O-N 3.03Å; E87-A95 HydrophobicContact CB-CB 4.38Å; E87-L115 WeakPolarHBondContact OE2-CD1 3.23Å; E87-L119 HydrophobicContact CG-CD2 4.3Å |
| 88 | G | 87.6 | Confident | 90.7 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.3 | -20.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q84 Y86 | Q84-G88 PolarHBondContact O-N 3.02Å; Y86-G88 VanDerWaalsContact C-N 3.34Å |
| 89 | K | 90.5 | Very high | 90.6 | Very high | 113 Ų | 113 | 48.8 Ų | 48.8 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.2 | 173.6 | -87.3 | -169 | 165.2 | -174.5 | 0 | 114.6 | A85 Y86 E87 M91 | A85-K89 PolarHBondContact O-N 2.85Å; Y86-K89 PolarHBondContact O-N 3.06Å; Y86-K89 VanDerWaalsContact O-N 3.12Å; E87-K89 PolarHBondContact O-N 3.02Å; E87-K89 VanDerWaalsContact O-N 3.1Å; K89-M91 VanDerWaalsContact C-N 3.34Å; K89-M91 HydrophobicContact CB-CG 4.48Å |
| 90 | G | 85.3 | Confident | 90.5 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 57% | 0.567 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 8.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y86 E87 L92 | Y86-G90 PolarHBondContact O-N 3.48Å; E87-G90 PolarHBondContact O-N 3.03Å; G90-L92 VanDerWaalsContact C-N 3.33Å; G90-L92 PolarHBondContact O-N 3.08Å |
| 91 | M | 89.8 | Confident | 90.4 | Very high | 74 Ų | 74 | 57.4 Ų | 57.4 | 37% | 0.365 | 28% | 0.281 | S | S | . | . | trans | -85.3 | 73.8 | -179.9 | -67.9 | -179.4 | 69.5 | 0 | 0 | 110.2 | Y86 K89 K93 E94 A95 | Y86-M91 HydrophobicContact CD1-CB 4.45Å; Y86-M91 HydrophobicContact CD1-SD 4.37Å; Y86-M91 PolarHBondContact O-N 3.41Å; K89-M91 VanDerWaalsContact C-N 3.34Å; K89-M91 HydrophobicContact CB-CG 4.48Å; M91-K93 VanDerWaalsContact C-N 3.32Å; M91-K93 PolarHBondContact O-N 2.82Å; M91-E94 HydrophobicContact CB-CB 4.3Å; M91-E94 WeakPolarHBondContact CB-OE2 3.49Å; M91-E94 HydrophobicContact CE-CB 4.45Å; M91-E94 VanDerWaalsContact CE-CD 3.48Å; M91-E94 HydrophobicContact CE-CG 3.83Å; M91-E94 WeakPolarHBondContact CE-OE1 3.19Å; M91-E94 PolarHBondContact O-N 3.3Å; M91-A95 VanDerWaalsContact O-CB 3.29Å; M91-A95 WeakPolarHBondContact O-CB 3.32Å; M91-A95 PolarHBondContact O-N 2.9Å | ||
| 92 | L | 87.5 | Confident | 90.3 | Very high | 72 Ų | 72 | 56.2 Ų | 56.2 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -32.9 | -168.6 | -64.4 | 178.2 | 0 | 0 | 0 | 113.9 | G90 L96 L119 V123 | G90-L92 VanDerWaalsContact C-N 3.33Å; G90-L92 PolarHBondContact O-N 3.08Å; L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.36Å; L92-L96 PolarHBondContact O-N 2.78Å; L92-L119 HydrophobicContact CD2-CD2 3.84Å; L92-V123 HydrophobicContact CB-CG2 4.24Å |
| 93 | K | 87.3 | Confident | 90.1 | Very high | 164 Ų | 164 | 58.6 Ų | 58.6 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -71.3 | -47 | -179.8 | -71 | -175.3 | 180 | -179.6 | 0 | 111.1 | M91 L96 E97 | M91-K93 VanDerWaalsContact C-N 3.32Å; M91-K93 PolarHBondContact O-N 2.82Å; K93-L96 PolarHBondContact O-N 3.37Å; K93-E97 WeakPolarHBondContact O-CB 3.09Å; K93-E97 PolarHBondContact O-N 3.1Å |
| 94 | E | 89.6 | Confident | 89.9 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | -179.9 | -62.5 | 83.9 | 167.7 | 0 | 0 | 111 | Y86 M91 T98 | Y86-E94 HydrophobicContact CD1-CB 4.17Å; Y86-E94 HydrophobicContact CE1-CB 4.37Å; Y86-E94 HydrophobicContact CG-CB 4.29Å; M91-E94 HydrophobicContact CB-CB 4.3Å; M91-E94 WeakPolarHBondContact CB-OE2 3.49Å; M91-E94 HydrophobicContact CE-CB 4.45Å; M91-E94 VanDerWaalsContact CE-CD 3.48Å; M91-E94 HydrophobicContact CE-CG 3.83Å; M91-E94 WeakPolarHBondContact CE-OE1 3.19Å; M91-E94 PolarHBondContact O-N 3.3Å; E94-T98 WeakPolarHBondContact O-CB 3.35Å; E94-T98 PolarHBondContact O-N 2.97Å; E94-T98 PolarHBondContact O-OG1 3.12Å |
| 95 | A | 89.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E87 M91 T98 G99 L119 | E87-A95 HydrophobicContact CB-CB 4.38Å; M91-A95 VanDerWaalsContact O-CB 3.29Å; M91-A95 WeakPolarHBondContact O-CB 3.32Å; M91-A95 PolarHBondContact O-N 2.9Å; A95-T98 PolarHBondContact O-N 3.33Å; A95-G99 PolarHBondContact O-N 3.14Å; A95-L119 HydrophobicContact CB-CD1 3.77Å; A95-L119 HydrophobicContact CB-CD2 4.02Å |
| 96 | L | 89.9 | Confident | 89.3 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 179.4 | -179.4 | 65.1 | 0 | 0 | 0 | 111.8 | L92 K93 G99 R100 T116 L119 E120 | L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.36Å; L92-L96 PolarHBondContact O-N 2.78Å; K93-L96 PolarHBondContact O-N 3.37Å; L96-G99 PolarHBondContact O-N 3.33Å; L96-R100 WeakPolarHBondContact O-CB 3.3Å; L96-R100 WeakPolarHBondContact O-CG 3.16Å; L96-R100 PolarHBondContact O-N 3.45Å; L96-T116 HydrophobicContact CD1-CG2 3.65Å; L96-L119 HydrophobicContact CB-CB 4.32Å; L96-L119 HydrophobicContact CD1-CB 3.93Å; L96-E120 HydrophobicContact CD1-CB 4.46Å; L96-E120 HydrophobicContact CD1-CG 3.32Å; L96-E120 HydrophobicContact CD2-CG 4.22Å; L96-E120 HydrophobicContact CG-CG 4.4Å |
| 97 | E | 90.4 | Very high | 88.9 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 176.9 | -171.3 | 177.5 | 177.8 | 0 | 0 | 111.5 | K93 R100 R101 | K93-E97 WeakPolarHBondContact O-CB 3.09Å; K93-E97 PolarHBondContact O-N 3.1Å; E97-R100 PolarHBondContact O-N 3.46Å; E97-R101 WeakPolarHBondContact O-CB 3.37Å; E97-R101 PolarHBondContact O-N 3.22Å |
| 98 | T | 90.4 | Very high | 88.6 | Confident | 10 Ų | 10 | 77 Ų | 77 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 176.5 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | L79 C82 A83 E94 A95 R101 L102 | L79-T98 HydrophobicContact CD2-CG2 4.48Å; C82-T98 HydrophobicContact CB-CG2 4.05Å; A83-T98 HydrophobicContact CB-CG2 3.96Å; E94-T98 WeakPolarHBondContact O-CB 3.35Å; E94-T98 PolarHBondContact O-N 2.97Å; E94-T98 PolarHBondContact O-OG1 3.12Å; A95-T98 PolarHBondContact O-N 3.33Å; T98-R101 PolarHBondContact O-N 2.91Å; T98-L102 PolarHBondContact O-N 3.1Å |
| 99 | G | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A95 L96 R101 L102 I103 T116 | A95-G99 PolarHBondContact O-N 3.14Å; L96-G99 PolarHBondContact O-N 3.33Å; G99-R101 VanDerWaalsContact C-N 3.35Å; G99-R101 PolarHBondContact O-N 2.93Å; G99-L102 WeakPolarHBondContact O-CB 3.41Å; G99-L102 PolarHBondContact O-N 2.99Å; G99-L102 VanDerWaalsContact O-N 3.16Å; G99-I103 PolarHBondContact O-N 2.83Å; G99-T116 WeakPolarHBondContact CA-OG1 3.47Å; G99-T116 PolarHBondContact O-OG1 3.23Å |
| 100 | R | 90.7 | Very high | 88.3 | Confident | 125 Ų | 125 | 78.4 Ų | 78.4 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 172.7 | -74.9 | 175.4 | 175.3 | 176.8 | -1.3 | 111.7 | L96 E97 L102 I103 L104 T116 E120 | L96-R100 WeakPolarHBondContact O-CB 3.3Å; L96-R100 WeakPolarHBondContact O-CG 3.16Å; L96-R100 PolarHBondContact O-N 3.45Å; E97-R100 PolarHBondContact O-N 3.46Å; R100-L102 PolarHBondContact O-N 3.29Å; R100-I103 PolarHBondContact O-N 3.01Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 2.77Å; R100-T116 HydrophobicContact CG-CG2 3.95Å; R100-E120 IonicContact CZ-OE1 2.81Å; R100-E120 IonicContact NE-OE1 3.78Å; R100-E120 PolarHBondContact NE-OE1 2.89Å; R100-E120 IonicContact NH2-OE1 3.9Å; R100-E120 PolarHBondContact NH2-OE1 3.32Å |
| 101 | R | 90 | Very high | 88.3 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 175.7 | -159.8 | 170.7 | 75.6 | -163 | 4.4 | 111.7 | E97 T98 G99 L104 V105 | E97-R101 WeakPolarHBondContact O-CB 3.37Å; E97-R101 PolarHBondContact O-N 3.22Å; T98-R101 PolarHBondContact O-N 2.91Å; G99-R101 VanDerWaalsContact C-N 3.35Å; G99-R101 PolarHBondContact O-N 2.93Å; R101-L104 PolarHBondContact O-N 3.25Å; R101-V105 WeakPolarHBondContact O-CG2 3.49Å; R101-V105 PolarHBondContact O-N 3.3Å |
| 102 | L | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 173.5 | 174.5 | 58.9 | 0 | 0 | 0 | 112.8 | P76 L79 Y80 T98 G99 R100 L104 V105 D106 A112 | P76-L102 HydrophobicContact CB-CD1 3.77Å; P76-L102 WeakPolarHBondContact O-CD1 3.42Å; L79-L102 HydrophobicContact CB-CB 4.06Å; L79-L102 HydrophobicContact CB-CD1 3.93Å; L79-L102 HydrophobicContact CB-CG 4.44Å; L79-L102 HydrophobicContact CD1-CB 4.41Å; L79-L102 HydrophobicContact CD1-CD1 4.43Å; Y80-L102 HydrophobicContact CD2-CD2 3.57Å; Y80-L102 HydrophobicContact CG-CD2 4.06Å; T98-L102 PolarHBondContact O-N 3.1Å; G99-L102 WeakPolarHBondContact O-CB 3.41Å; G99-L102 PolarHBondContact O-N 2.99Å; G99-L102 VanDerWaalsContact O-N 3.16Å; R100-L102 PolarHBondContact O-N 3.29Å; L102-L104 VanDerWaalsContact C-N 3.27Å; L102-L104 PolarHBondContact O-N 2.78Å; L102-V105 PolarHBondContact O-N 3.46Å; L102-V105 VanDerWaalsContact O-N 3.17Å; L102-D106 PolarHBondContact O-N 3.34Å; L102-A112 HydrophobicContact CB-CB 4.42Å; L102-A112 HydrophobicContact CD2-CB 3.28Å; L102-A112 HydrophobicContact CG-CB 3.49Å; L102-A112 VanDerWaalsContact CG-CB 3.49Å |
| 103 | I | 88.5 | Confident | 88.1 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 177.1 | -67.2 | 171 | 0 | 0 | 0 | 111.2 | G99 R100 V105 D106 P107 A112 Q113 T116 | G99-I103 PolarHBondContact O-N 2.83Å; R100-I103 PolarHBondContact O-N 3.01Å; I103-V105 VanDerWaalsContact C-N 3.3Å; I103-V105 PolarHBondContact O-N 3.35Å; I103-D106 CarbonylContact O-C 3.59Å; I103-P107 VanDerWaalsContact O-CA 3.23Å; I103-P107 WeakPolarHBondContact O-CA 3.35Å; I103-P107 WeakPolarHBondContact O-CD 3.37Å; I103-P107 WeakPolarHBondContact O-CG 3.35Å; I103-P107 VanDerWaalsContact O-N 3.1Å; I103-A112 HydrophobicContact CG1-CB 4.22Å; I103-Q113 HydrophobicContact CD1-CG 4.41Å; I103-Q113 HydrophobicContact CG1-CG 4.42Å; I103-T116 HydrophobicContact CD1-CG2 3.88Å; I103-T116 WeakPolarHBondContact CD1-OG1 3.43Å |
| 104 | L | 88.4 | Confident | 88.2 | Confident | 142 Ų | 142 | 71 Ų | 71 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.7 | -37.5 | 175.8 | -71.5 | 172.6 | 0 | 0 | 0 | 112.4 | R100 R101 L102 | R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 2.77Å; R101-L104 PolarHBondContact O-N 3.25Å; L102-L104 VanDerWaalsContact C-N 3.27Å; L102-L104 PolarHBondContact O-N 2.78Å |
| 105 | V | 88.8 | Confident | 88.2 | Confident | 65 Ų | 65 | 68 Ų | 68 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82.1 | -40 | -178.1 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | G74 P76 L79 R101 L102 I103 | G74-V105 WeakPolarHBondContact O-CG1 3.49Å; P76-V105 HydrophobicContact CG-CG1 4.03Å; L79-V105 HydrophobicContact CD1-CB 4.3Å; L79-V105 HydrophobicContact CD1-CG2 3.98Å; R101-V105 WeakPolarHBondContact O-CG2 3.49Å; R101-V105 PolarHBondContact O-N 3.3Å; L102-V105 PolarHBondContact O-N 3.46Å; L102-V105 VanDerWaalsContact O-N 3.17Å; I103-V105 VanDerWaalsContact C-N 3.3Å; I103-V105 PolarHBondContact O-N 3.35Å |
| 106 | D | 85.8 | Confident | 88.1 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | trans | -131 | 84.9 | 176.3 | -173.1 | -2.7 | 0 | 0 | 0 | 110.9 | P76 L102 I103 R108 N109 | P76-D106 HydrophobicContact CB-CB 3.99Å; P76-D106 HydrophobicContact CG-CB 4.06Å; L102-D106 PolarHBondContact O-N 3.34Å; I103-D106 CarbonylContact O-C 3.59Å; D106-R108 PolarHBondContact O-N 2.96Å; D106-R108 VanDerWaalsContact O-N 3.11Å; D106-R108 PolarHBondContact OD1-N 3.01Å; D106-N109 HydrophobicContact CB-CB 4.05Å; D106-N109 WeakPolarHBondContact O-CB 3.23Å; D106-N109 PolarHBondContact O-N 3.18Å; D106-N109 VanDerWaalsContact O-N 3.15Å; D106-N109 PolarHBondContact OD1-N 3.17Å; D106-N109 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 107 | P | 85.4 | Confident | 88.1 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 51% | 0.506 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.3 | -178.9 | -24 | 33.6 | 0 | 0 | 0 | 114.2 | I103 Q113 | I103-P107 VanDerWaalsContact O-CA 3.23Å; I103-P107 WeakPolarHBondContact O-CA 3.35Å; I103-P107 WeakPolarHBondContact O-CD 3.37Å; I103-P107 WeakPolarHBondContact O-CG 3.35Å; I103-P107 VanDerWaalsContact O-N 3.1Å; P107-Q113 PolarHBondContact O-NE2 3.14Å |
| 108 | R | 85.3 | Confident | 88 | Confident | 234 Ų | 234 | 72.9 Ų | 72.9 | 88% | 0.883 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -2.8 | -179 | -66.2 | -176.1 | 178.7 | -178.9 | 0.2 | 112.8 | D106 K110 | D106-R108 PolarHBondContact O-N 2.96Å; D106-R108 VanDerWaalsContact O-N 3.11Å; D106-R108 PolarHBondContact OD1-N 3.01Å; R108-K110 PolarHBondContact O-N 3.16Å |
| 109 | N | 85.1 | Confident | 88 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | trans | -73.9 | 94.6 | -179.8 | -167 | -23.7 | 0 | 0 | 0 | 111.4 | D106 A111 A112 Q113 | D106-N109 HydrophobicContact CB-CB 4.05Å; D106-N109 WeakPolarHBondContact O-CB 3.23Å; D106-N109 PolarHBondContact O-N 3.18Å; D106-N109 VanDerWaalsContact O-N 3.15Å; D106-N109 PolarHBondContact OD1-N 3.17Å; D106-N109 WeakPolarHBondContact OD2-CB 3.4Å; N109-A111 VanDerWaalsContact C-N 3.27Å; N109-A111 PolarHBondContact O-N 3.47Å; N109-A111 PolarHBondContact OD1-N 3.44Å; N109-A112 HydrophobicContact CB-CB 3.85Å; N109-A112 WeakPolarHBondContact O-CB 3.41Å; N109-A112 PolarHBondContact O-N 2.81Å; N109-A112 PolarHBondContact OD1-N 3.39Å; N109-Q113 PolarHBondContact O-N 3.4Å; N109-Q113 VanDerWaalsContact O-N 3.13Å | ||
| 110 | K | 87 | Confident | 87.9 | Confident | 149 Ų | 149 | 76.1 Ų | 76.1 | 65% | 0.648 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.6 | -37.8 | 179.9 | -167 | 168.6 | -176.7 | 174.6 | 0 | 113 | R108 A112 Q113 D114 | R108-K110 PolarHBondContact O-N 3.16Å; K110-A112 VanDerWaalsContact C-N 3.28Å; K110-A112 PolarHBondContact O-N 3.36Å; K110-Q113 PolarHBondContact O-N 3.3Å; K110-D114 VanDerWaalsContact O-CG 3.24Å; K110-D114 PolarHBondContact O-N 3.47Å |
| 111 | A | 85.3 | Confident | 87.8 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -33.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y80 N109 L115 | Y80-A111 HydrophobicContact CE2-CB 3.88Å; Y80-A111 WeakPolarHBondContact CE2-O 3.47Å; N109-A111 VanDerWaalsContact C-N 3.27Å; N109-A111 PolarHBondContact O-N 3.47Å; N109-A111 PolarHBondContact OD1-N 3.44Å; A111-L115 WeakPolarHBondContact O-CB 3.47Å; A111-L115 PolarHBondContact O-N 3.02Å; A111-L115 VanDerWaalsContact O-N 3.15Å |
| 112 | A | 84.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.7 | -42.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L102 I103 N109 K110 L115 T116 | L102-A112 HydrophobicContact CB-CB 4.42Å; L102-A112 HydrophobicContact CD2-CB 3.28Å; L102-A112 HydrophobicContact CG-CB 3.49Å; L102-A112 VanDerWaalsContact CG-CB 3.49Å; I103-A112 HydrophobicContact CG1-CB 4.22Å; N109-A112 HydrophobicContact CB-CB 3.85Å; N109-A112 WeakPolarHBondContact O-CB 3.41Å; N109-A112 PolarHBondContact O-N 2.81Å; N109-A112 PolarHBondContact OD1-N 3.39Å; K110-A112 VanDerWaalsContact C-N 3.28Å; K110-A112 PolarHBondContact O-N 3.36Å; A112-L115 PolarHBondContact O-N 3.01Å; A112-T116 WeakPolarHBondContact O-CB 3.29Å; A112-T116 PolarHBondContact O-N 2.92Å; A112-T116 PolarHBondContact O-OG1 3.4Å |
| 113 | Q | 87.8 | Confident | 87.4 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 176 | -67.4 | 176.5 | -11.9 | 0 | 0 | 110.6 | I103 P107 N109 K110 L115 T116 H117 | I103-Q113 HydrophobicContact CD1-CG 4.41Å; I103-Q113 HydrophobicContact CG1-CG 4.42Å; P107-Q113 PolarHBondContact O-NE2 3.14Å; N109-Q113 PolarHBondContact O-N 3.4Å; N109-Q113 VanDerWaalsContact O-N 3.13Å; K110-Q113 PolarHBondContact O-N 3.3Å; Q113-L115 PolarHBondContact O-N 3.05Å; Q113-T116 PolarHBondContact O-N 3.38Å; Q113-H117 WeakPolarHBondContact O-CB 3.24Å; Q113-H117 PolarHBondContact O-N 2.88Å |
| 114 | D | 89.4 | Confident | 87.1 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 179.5 | -67.7 | -21 | 0 | 0 | 0 | 112 | K110 K118 | K110-D114 VanDerWaalsContact O-CG 3.24Å; K110-D114 PolarHBondContact O-N 3.47Å; D114-K118 VanDerWaalsContact O-CG 3.3Å; D114-K118 WeakPolarHBondContact O-CG 3.48Å; D114-K118 PolarHBondContact O-N 3.4Å |
| 115 | L | 88.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 176.4 | 177.7 | 62 | 0 | 0 | 0 | 111.6 | Y80 A83 Q84 E87 A111 A112 Q113 K118 L119 | Y80-L115 HydrophobicContact CD2-CD2 4.4Å; Y80-L115 HydrophobicContact CE2-CB 4.46Å; Y80-L115 HydrophobicContact CE2-CD2 4.09Å; A83-L115 HydrophobicContact CB-CD2 3.7Å; Q84-L115 HydrophobicContact CG-CD2 4.2Å; E87-L115 WeakPolarHBondContact OE2-CD1 3.23Å; A111-L115 WeakPolarHBondContact O-CB 3.47Å; A111-L115 PolarHBondContact O-N 3.02Å; A111-L115 VanDerWaalsContact O-N 3.15Å; A112-L115 PolarHBondContact O-N 3.01Å; Q113-L115 PolarHBondContact O-N 3.05Å; L115-K118 PolarHBondContact O-N 3Å; L115-L119 HydrophobicContact CD1-CD1 4.31Å; L115-L119 HydrophobicContact CG-CD1 4.19Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 3.3Å; L115-L119 VanDerWaalsContact O-N 3.14Å |
| 116 | T | 88.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | -177.9 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | L96 G99 R100 I103 A112 Q113 K118 L119 E120 | L96-T116 HydrophobicContact CD1-CG2 3.65Å; G99-T116 WeakPolarHBondContact CA-OG1 3.47Å; G99-T116 PolarHBondContact O-OG1 3.23Å; R100-T116 HydrophobicContact CG-CG2 3.95Å; I103-T116 HydrophobicContact CD1-CG2 3.88Å; I103-T116 WeakPolarHBondContact CD1-OG1 3.43Å; A112-T116 WeakPolarHBondContact O-CB 3.29Å; A112-T116 PolarHBondContact O-N 2.92Å; A112-T116 PolarHBondContact O-OG1 3.4Å; Q113-T116 PolarHBondContact O-N 3.38Å; T116-K118 VanDerWaalsContact C-N 3.34Å; T116-K118 PolarHBondContact O-N 2.96Å; T116-L119 WeakPolarHBondContact O-CB 3.43Å; T116-L119 PolarHBondContact O-N 2.87Å; T116-L119 VanDerWaalsContact O-N 3.14Å; T116-E120 HydrophobicContact CG2-CG 4.5Å; T116-E120 WeakPolarHBondContact O-CG 3.4Å; T116-E120 PolarHBondContact O-N 2.93Å |
| 117 | H | 89.1 | Confident | 86.2 | Confident | 120 Ų | 120 | 75.7 Ų | 75.7 | 56% | 0.556 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 177.9 | -176.6 | -78.9 | 0 | 0 | 0 | 112.6 | Q113 L119 E120 T121 | Q113-H117 WeakPolarHBondContact O-CB 3.24Å; Q113-H117 PolarHBondContact O-N 2.88Å; H117-L119 VanDerWaalsContact C-N 3.34Å; H117-E120 PolarHBondContact O-N 3.41Å; H117-T121 PolarHBondContact O-N 2.87Å; H117-T121 PolarHBondContact O-OG1 3.1Å |
| 118 | K | 89.3 | Confident | 85.9 | Confident | 133 Ų | 133 | 75 Ų | 75 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 174.3 | -73.8 | 174.5 | -177.3 | -179.2 | 0 | 111.9 | D114 L115 T116 S122 | D114-K118 VanDerWaalsContact O-CG 3.3Å; D114-K118 WeakPolarHBondContact O-CG 3.48Å; D114-K118 PolarHBondContact O-N 3.4Å; L115-K118 PolarHBondContact O-N 3Å; T116-K118 VanDerWaalsContact C-N 3.34Å; T116-K118 PolarHBondContact O-N 2.96Å; K118-S122 WeakPolarHBondContact O-CB 3.34Å; K118-S122 PolarHBondContact O-N 2.85Å; K118-S122 VanDerWaalsContact O-N 3.1Å; K118-S122 PolarHBondContact O-OG 3.31Å |
| 119 | L | 89.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 176.6 | -68.1 | 167.8 | 0 | 0 | 0 | 111.5 | E87 L92 A95 L96 L115 T116 H117 S122 V123 | E87-L119 HydrophobicContact CG-CD2 4.3Å; L92-L119 HydrophobicContact CD2-CD2 3.84Å; A95-L119 HydrophobicContact CB-CD1 3.77Å; A95-L119 HydrophobicContact CB-CD2 4.02Å; L96-L119 HydrophobicContact CB-CB 4.32Å; L96-L119 HydrophobicContact CD1-CB 3.93Å; L115-L119 HydrophobicContact CD1-CD1 4.31Å; L115-L119 HydrophobicContact CG-CD1 4.19Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 3.3Å; L115-L119 VanDerWaalsContact O-N 3.14Å; T116-L119 WeakPolarHBondContact O-CB 3.43Å; T116-L119 PolarHBondContact O-N 2.87Å; T116-L119 VanDerWaalsContact O-N 3.14Å; H117-L119 VanDerWaalsContact C-N 3.34Å; L119-S122 PolarHBondContact O-N 3.05Å; L119-V123 WeakPolarHBondContact O-CG2 3.36Å; L119-V123 PolarHBondContact O-N 2.98Å |
| 120 | E | 88.7 | Confident | 85.2 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 177.4 | -70.9 | -174.6 | 153.6 | 0 | 0 | 112.3 | L96 R100 T116 H117 S122 V123 A124 | L96-E120 HydrophobicContact CD1-CB 4.46Å; L96-E120 HydrophobicContact CD1-CG 3.32Å; L96-E120 HydrophobicContact CD2-CG 4.22Å; L96-E120 HydrophobicContact CG-CG 4.4Å; R100-E120 IonicContact CZ-OE1 2.81Å; R100-E120 IonicContact NE-OE1 3.78Å; R100-E120 PolarHBondContact NE-OE1 2.89Å; R100-E120 IonicContact NH2-OE1 3.9Å; R100-E120 PolarHBondContact NH2-OE1 3.32Å; T116-E120 HydrophobicContact CG2-CG 4.5Å; T116-E120 WeakPolarHBondContact O-CG 3.4Å; T116-E120 PolarHBondContact O-N 2.93Å; H117-E120 PolarHBondContact O-N 3.41Å; E120-S122 VanDerWaalsContact C-N 3.31Å; E120-S122 PolarHBondContact O-N 3.44Å; E120-V123 PolarHBondContact O-N 2.87Å; E120-A124 WeakPolarHBondContact O-CB 3.33Å; E120-A124 PolarHBondContact O-N 2.88Å |
| 121 | T | 87.7 | Confident | 84.9 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 178.1 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | H117 A124 S125 | H117-T121 PolarHBondContact O-N 2.87Å; H117-T121 PolarHBondContact O-OG1 3.1Å; T121-A124 PolarHBondContact O-N 3.43Å; T121-S125 PolarHBondContact O-N 3.33Å; T121-S125 PolarHBondContact O-OG 3.2Å |
| 122 | S | 85.8 | Confident | 84.8 | Confident | 57 Ų | 57 | 68.3 Ų | 68.3 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | K118 L119 E120 S125 Y126 | K118-S122 WeakPolarHBondContact O-CB 3.34Å; K118-S122 PolarHBondContact O-N 2.85Å; K118-S122 VanDerWaalsContact O-N 3.1Å; K118-S122 PolarHBondContact O-OG 3.31Å; L119-S122 PolarHBondContact O-N 3.05Å; E120-S122 VanDerWaalsContact C-N 3.31Å; E120-S122 PolarHBondContact O-N 3.44Å; S122-S125 PolarHBondContact O-OG 3.32Å; S122-Y126 PolarHBondContact O-N 3.27Å |
| 123 | V | 86.4 | Confident | 84.8 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 25% | 0.248 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | L92 L119 E120 S125 Y126 V127 | L92-V123 HydrophobicContact CB-CG2 4.24Å; L119-V123 WeakPolarHBondContact O-CG2 3.36Å; L119-V123 PolarHBondContact O-N 2.98Å; E120-V123 PolarHBondContact O-N 2.87Å; V123-S125 PolarHBondContact O-N 3.28Å; V123-Y126 PolarHBondContact O-N 3.44Å; V123-V127 HydrophobicContact CG1-CG2 4.4Å; V123-V127 WeakPolarHBondContact O-CG2 3.31Å; V123-V127 PolarHBondContact O-N 3.48Å |
| 124 | A | 83.8 | Confident | 84.8 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 50% | 0.504 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E120 T121 Y126 V127 A128 | E120-A124 WeakPolarHBondContact O-CB 3.33Å; E120-A124 PolarHBondContact O-N 2.88Å; T121-A124 PolarHBondContact O-N 3.43Å; A124-Y126 VanDerWaalsContact C-N 3.33Å; A124-Y126 PolarHBondContact O-N 3.13Å; A124-V127 PolarHBondContact O-N 2.81Å; A124-A128 PolarHBondContact O-N 3.23Å |
| 125 | S | 83.1 | Confident | 84.6 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.1 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | T121 S122 V123 A128 E129 | T121-S125 PolarHBondContact O-N 3.33Å; T121-S125 PolarHBondContact O-OG 3.2Å; S122-S125 PolarHBondContact O-OG 3.32Å; V123-S125 PolarHBondContact O-N 3.28Å; S125-A128 PolarHBondContact O-N 2.88Å; S125-E129 PolarHBondContact O-N 3.46Å; S125-E129 VanDerWaalsContact O-N 3.13Å |
| 126 | Y | 80.1 | Confident | 84.6 | Confident | 166 Ų | 166 | 68.9 Ų | 68.9 | 65% | 0.651 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 176.6 | -178.1 | -96.8 | 0 | 0 | 0 | 112.6 | S122 V123 A124 S130 | S122-Y126 PolarHBondContact O-N 3.27Å; V123-Y126 PolarHBondContact O-N 3.44Å; A124-Y126 VanDerWaalsContact C-N 3.33Å; A124-Y126 PolarHBondContact O-N 3.13Å; Y126-S130 WeakPolarHBondContact O-CB 3.46Å; Y126-S130 PolarHBondContact O-N 3.14Å; Y126-S130 VanDerWaalsContact O-N 3.08Å |
| 127 | V | 79.3 | Confident | 84.6 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 177.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | V123 A124 E129 S130 E131 | V123-V127 HydrophobicContact CG1-CG2 4.4Å; V123-V127 WeakPolarHBondContact O-CG2 3.31Å; V123-V127 PolarHBondContact O-N 3.48Å; A124-V127 PolarHBondContact O-N 2.81Å; V127-E129 PolarHBondContact O-N 3.29Å; V127-S130 WeakPolarHBondContact O-CB 3.34Å; V127-S130 PolarHBondContact O-N 3.31Å; V127-S130 VanDerWaalsContact O-N 3.17Å; V127-E131 HydrophobicContact CG1-CG 4.4Å; V127-E131 WeakPolarHBondContact O-CG 3.47Å; V127-E131 PolarHBondContact O-N 3.36Å |
| 128 | A | 79.7 | Confident | 84.6 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A124 S125 S130 E131 S132 | A124-A128 PolarHBondContact O-N 3.23Å; S125-A128 PolarHBondContact O-N 2.88Å; A128-S130 VanDerWaalsContact C-N 3.32Å; A128-S130 PolarHBondContact O-N 3.07Å; A128-E131 PolarHBondContact O-N 3.5Å; A128-S132 PolarHBondContact O-N 3Å |
| 129 | E | 79.8 | Confident | 84.5 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.8 | -170.1 | -178.3 | 177.6 | 0 | 0 | 111.1 | S125 V127 E131 S132 G135 | S125-E129 PolarHBondContact O-N 3.46Å; S125-E129 VanDerWaalsContact O-N 3.13Å; V127-E129 PolarHBondContact O-N 3.29Å; E129-E131 VanDerWaalsContact C-N 3.32Å; E129-E131 PolarHBondContact O-N 3.02Å; E129-S132 WeakPolarHBondContact O-CB 3.36Å; E129-S132 PolarHBondContact O-N 2.86Å; E129-S132 PolarHBondContact O-OG 3.45Å; E129-G135 WeakPolarHBondContact O-CA 3.18Å |
| 130 | S | 76.3 | Confident | 84.6 | Confident | 34 Ų | 34 | 69 Ų | 69 | 24% | 0.238 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -31.1 | 178.7 | 157.1 | 0 | 0 | 0 | 0 | 114 | Y126 V127 A128 K139 | Y126-S130 WeakPolarHBondContact O-CB 3.46Å; Y126-S130 PolarHBondContact O-N 3.14Å; Y126-S130 VanDerWaalsContact O-N 3.08Å; V127-S130 WeakPolarHBondContact O-CB 3.34Å; V127-S130 PolarHBondContact O-N 3.31Å; V127-S130 VanDerWaalsContact O-N 3.17Å; A128-S130 VanDerWaalsContact C-N 3.32Å; A128-S130 PolarHBondContact O-N 3.07Å; S130-K139 PolarHBondContact O-NZ 2.85Å; S130-K139 PolarHBondContact OG-NZ 3.17Å |
| 131 | E | 80.5 | Confident | 84.7 | Confident | 126 Ų | 126 | 65.6 Ų | 65.6 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -91 | -17.7 | 178.8 | -72 | -175.3 | 171.8 | 0 | 0 | 113.9 | V127 A128 E129 K136 | V127-E131 HydrophobicContact CG1-CG 4.4Å; V127-E131 WeakPolarHBondContact O-CG 3.47Å; V127-E131 PolarHBondContact O-N 3.36Å; A128-E131 PolarHBondContact O-N 3.5Å; E129-E131 VanDerWaalsContact C-N 3.32Å; E129-E131 PolarHBondContact O-N 3.02Å; E131-K136 WeakPolarHBondContact O-CE 3.48Å |
| 132 | S | 83.8 | Confident | 84.7 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -57 | 152.2 | 174.7 | 75.6 | 0 | 0 | 0 | 0 | 111.9 | A128 E129 T134 G135 K136 | A128-S132 PolarHBondContact O-N 3Å; E129-S132 WeakPolarHBondContact O-CB 3.36Å; E129-S132 PolarHBondContact O-N 2.86Å; E129-S132 PolarHBondContact O-OG 3.45Å; S132-T134 PolarHBondContact O-N 3.26Å; S132-G135 PolarHBondContact O-N 3.04Å; S132-G135 PolarHBondContact OG-N 3.43Å; S132-K136 PolarHBondContact O-N 2.76Å |
| 133 | L | 84.7 | Confident | 84.8 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.8 | -43.4 | 175.9 | 179.5 | 62.2 | 0 | 0 | 0 | 111 | G135 K136 L137 L164 V171 A172 M175 | L133-G135 PolarHBondContact O-N 3.44Å; L133-K136 PolarHBondContact O-N 3.26Å; L133-L137 HydrophobicContact CD1-CD1 4.38Å; L133-L137 HydrophobicContact CD1-CG 4.36Å; L133-L137 HydrophobicContact CG-CD1 4.17Å; L133-L137 WeakPolarHBondContact O-CB 3.37Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.49Å; L133-L137 PolarHBondContact O-N 2.93Å; L133-L164 HydrophobicContact CD1-CB 4.27Å; L133-L164 HydrophobicContact CD1-CD1 4.24Å; L133-L164 HydrophobicContact CD1-CD2 4.14Å; L133-L164 HydrophobicContact CD1-CG 4.45Å; L133-V171 HydrophobicContact CD2-CG1 4.05Å; L133-A172 HydrophobicContact CD1-CB 4.46Å; L133-A172 HydrophobicContact CD2-CB 4.5Å; L133-M175 HydrophobicContact CD2-SD 3.69Å; L133-M175 HydrophobicContact CG-SD 4.18Å |
| 134 | T | 86.2 | Confident | 84.8 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.1 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | S132 L137 K138 | S132-T134 PolarHBondContact O-N 3.26Å; T134-L137 PolarHBondContact O-N 3.41Å; T134-K138 WeakPolarHBondContact O-CG 3.46Å; T134-K138 PolarHBondContact O-N 3.03Å |
| 135 | G | 85.5 | Confident | 85 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E129 S132 L133 K138 K139 | E129-G135 WeakPolarHBondContact O-CA 3.18Å; S132-G135 PolarHBondContact O-N 3.04Å; S132-G135 PolarHBondContact OG-N 3.43Å; L133-G135 PolarHBondContact O-N 3.44Å; G135-K138 PolarHBondContact O-N 3.47Å; G135-K139 WeakPolarHBondContact O-CG 3.33Å; G135-K139 PolarHBondContact O-N 3.2Å; G135-K139 VanDerWaalsContact O-N 3.14Å |
| 136 | K | 88.5 | Confident | 85.1 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 174.6 | -69.1 | 179 | -180 | 170.4 | 0 | 111.4 | E131 S132 L133 K139 M140 L164 | E131-K136 WeakPolarHBondContact O-CE 3.48Å; S132-K136 PolarHBondContact O-N 2.76Å; L133-K136 PolarHBondContact O-N 3.26Å; K136-K139 PolarHBondContact O-N 3.05Å; K136-M140 WeakPolarHBondContact O-CG 3.45Å; K136-M140 PolarHBondContact O-N 3.36Å; K136-M140 VanDerWaalsContact O-N 3.08Å; K136-L164 HydrophobicContact CB-CD1 4.18Å; K136-L164 HydrophobicContact CD-CD2 3.89Å |
| 137 | L | 89.3 | Confident | 85 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 177 | -72.9 | 175.9 | 0 | 0 | 0 | 112.1 | L133 T134 K139 M140 F141 L161 L164 M175 I176 | L133-L137 HydrophobicContact CD1-CD1 4.38Å; L133-L137 HydrophobicContact CD1-CG 4.36Å; L133-L137 HydrophobicContact CG-CD1 4.17Å; L133-L137 WeakPolarHBondContact O-CB 3.37Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.49Å; L133-L137 PolarHBondContact O-N 2.93Å; T134-L137 PolarHBondContact O-N 3.41Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 3.2Å; L137-M140 PolarHBondContact O-N 2.98Å; L137-F141 HydrophobicContact CD2-CE2 4.46Å; L137-F141 WeakPolarHBondContact O-CD2 3.43Å; L137-F141 PolarHBondContact O-N 3.32Å; L137-L161 HydrophobicContact CD2-CD2 3.51Å; L137-L164 HydrophobicContact CD2-CD1 3.89Å; L137-L164 HydrophobicContact CG-CD1 4.38Å; L137-M175 HydrophobicContact CD1-CB 3.67Å; L137-M175 HydrophobicContact CD1-CE 3.97Å; L137-M175 HydrophobicContact CD1-SD 4.18Å; L137-I176 HydrophobicContact CD2-CD1 4.12Å; L137-I176 HydrophobicContact CD2-CG1 3.61Å |
| 138 | K | 88.3 | Confident | 85.1 | Confident | 124 Ų | 124 | 63.6 Ų | 63.6 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.5 | -44.1 | 176.7 | -77.7 | 176.5 | -179.6 | 177.6 | 0 | 111.8 | T134 G135 A142 | T134-K138 WeakPolarHBondContact O-CG 3.46Å; T134-K138 PolarHBondContact O-N 3.03Å; G135-K138 PolarHBondContact O-N 3.47Å; K138-A142 WeakPolarHBondContact O-CB 2.96Å; K138-A142 PolarHBondContact O-N 3.34Å |
| 139 | K | 88.5 | Confident | 85.3 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 177.2 | -70 | 173.2 | -176.7 | 171.2 | 0 | 112.5 | S130 G135 K136 L137 A142 I143 | S130-K139 PolarHBondContact O-NZ 2.85Å; S130-K139 PolarHBondContact OG-NZ 3.17Å; G135-K139 WeakPolarHBondContact O-CG 3.33Å; G135-K139 PolarHBondContact O-N 3.2Å; G135-K139 VanDerWaalsContact O-N 3.14Å; K136-K139 PolarHBondContact O-N 3.05Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 3.2Å; K139-A142 PolarHBondContact O-N 3.08Å; K139-I143 PolarHBondContact O-N 3.35Å |
| 140 | M | 90.7 | Very high | 85.5 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | -179.3 | -63.1 | -56.1 | 97.8 | 0 | 0 | 111.5 | K136 L137 A142 I143 V144 A157 N160 L161 | K136-M140 WeakPolarHBondContact O-CG 3.45Å; K136-M140 PolarHBondContact O-N 3.36Å; K136-M140 VanDerWaalsContact O-N 3.08Å; L137-M140 PolarHBondContact O-N 2.98Å; M140-A142 VanDerWaalsContact C-N 3.33Å; M140-A142 PolarHBondContact O-N 2.67Å; M140-I143 HydrophobicContact CE-CD1 4.19Å; M140-I143 PolarHBondContact O-N 3.39Å; M140-V144 WeakPolarHBondContact O-CG2 3.36Å; M140-V144 PolarHBondContact O-N 3.06Å; M140-A157 HydrophobicContact SD-CB 4.24Å; M140-N160 HydrophobicContact CG-CB 4.4Å; M140-N160 HydrophobicContact SD-CB 3.7Å; M140-L161 HydrophobicContact CB-CD2 3.78Å; M140-L161 HydrophobicContact CB-CG 4.11Å; M140-L161 HydrophobicContact CG-CD2 4.16Å; M140-L161 HydrophobicContact CG-CG 4.49Å |
| 141 | F | 90.4 | Very high | 85.9 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 2% | 0.022 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.3 | -27.2 | 176.3 | -84.1 | -75.9 | 0 | 0 | 0 | 113.4 | L137 I143 V144 N145 L161 I176 N179 I185 | L137-F141 HydrophobicContact CD2-CE2 4.46Å; L137-F141 WeakPolarHBondContact O-CD2 3.43Å; L137-F141 PolarHBondContact O-N 3.32Å; F141-I143 VanDerWaalsContact C-N 3.29Å; F141-I143 PolarHBondContact O-N 2.79Å; F141-V144 PolarHBondContact O-N 3.48Å; F141-N145 VanDerWaalsContact O-CB 3.31Å; F141-N145 WeakPolarHBondContact O-CB 3.48Å; F141-N145 PolarHBondContact O-N 3.17Å; F141-N145 PolarHBondContact O-ND2 3.28Å; F141-L161 HydrophobicContact CE2-CD2 4.39Å; F141-I176 HydrophobicContact CE2-CG1 4.45Å; F141-I176 HydrophobicContact CE2-CG2 4.48Å; F141-I176 HydrophobicContact CZ-CG2 4.06Å; F141-N179 HydrophobicContact CD2-CB 4.48Å; F141-N179 WeakPolarHBondContact CD2-ND2 3.41Å; F141-N179 HydrophobicContact CE1-CB 4.08Å; F141-N179 HydrophobicContact CE2-CB 3.89Å; F141-N179 WeakPolarHBondContact CE2-ND2 3.07Å; F141-N179 HydrophobicContact CZ-CB 3.64Å; F141-I185 HydrophobicContact CE1-CD1 4.41Å |
| 142 | A | 87.6 | Confident | 86.2 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 50% | 0.504 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K138 K139 M140 D146 | K138-A142 WeakPolarHBondContact O-CB 2.96Å; K138-A142 PolarHBondContact O-N 3.34Å; K139-A142 PolarHBondContact O-N 3.08Å; M140-A142 VanDerWaalsContact C-N 3.33Å; M140-A142 PolarHBondContact O-N 2.67Å; A142-D146 WeakPolarHBondContact O-CB 3.47Å; A142-D146 PolarHBondContact O-N 2.68Å; A142-D146 VanDerWaalsContact O-N 3.13Å |
| 143 | I | 87.8 | Confident | 86.4 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 174.4 | -59.9 | 166.7 | 0 | 0 | 0 | 110.5 | K139 M140 F141 N145 D146 S149 E153 L154 A157 | K139-I143 PolarHBondContact O-N 3.35Å; M140-I143 HydrophobicContact CE-CD1 4.19Å; M140-I143 PolarHBondContact O-N 3.39Å; F141-I143 VanDerWaalsContact C-N 3.29Å; F141-I143 PolarHBondContact O-N 2.79Å; I143-N145 VanDerWaalsContact C-N 3.26Å; I143-N145 PolarHBondContact O-N 3.38Å; I143-D146 PolarHBondContact O-N 2.95Å; I143-S149 PolarHBondContact O-OG 3.47Å; I143-S149 VanDerWaalsContact O-OG 3.14Å; I143-E153 HydrophobicContact CG2-CB 4.28Å; I143-L154 HydrophobicContact CG2-CD2 4.46Å; I143-A157 HydrophobicContact CB-CB 4.21Å; I143-A157 HydrophobicContact CD1-CB 4.4Å; I143-A157 HydrophobicContact CG2-CB 4.04Å |
| 144 | V | 87.5 | Confident | 86.7 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.2 | -32.5 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | M140 F141 A157 K184 | M140-V144 WeakPolarHBondContact O-CG2 3.36Å; M140-V144 PolarHBondContact O-N 3.06Å; F141-V144 PolarHBondContact O-N 3.48Å; V144-A157 HydrophobicContact CG2-CB 4.38Å; V144-K184 HydrophobicContact CG1-CB 4.3Å; V144-K184 HydrophobicContact CG1-CG 4.16Å |
| 145 | N | 86.4 | Confident | 86.9 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -82.6 | -21.6 | 179 | -78.4 | -18.8 | 0 | 0 | 0 | 114.1 | F141 I143 N147 S181 | F141-N145 VanDerWaalsContact O-CB 3.31Å; F141-N145 WeakPolarHBondContact O-CB 3.48Å; F141-N145 PolarHBondContact O-N 3.17Å; F141-N145 PolarHBondContact O-ND2 3.28Å; I143-N145 VanDerWaalsContact C-N 3.26Å; I143-N145 PolarHBondContact O-N 3.38Å; N145-N147 PolarHBondContact O-N 3.44Å; N145-S181 WeakPolarHBondContact ND2-CB 3.42Å; N145-S181 PolarHBondContact ND2-OG 3.41Å; N145-S181 VanDerWaalsContact OD1-CB 3.27Å; N145-S181 WeakPolarHBondContact OD1-CB 3.32Å; N145-S181 PolarHBondContact OD1-OG 2.93Å |
| 146 | D | 85.2 | Confident | 87.2 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | trans | -74.8 | 111.8 | 178.9 | 174.9 | 26.3 | 0 | 0 | 0 | 110.3 | A142 I143 S148 S149 | A142-D146 WeakPolarHBondContact O-CB 3.47Å; A142-D146 PolarHBondContact O-N 2.68Å; A142-D146 VanDerWaalsContact O-N 3.13Å; I143-D146 PolarHBondContact O-N 2.95Å; D146-S148 PolarHBondContact O-N 3.39Å; D146-S148 VanDerWaalsContact O-N 3.16Å; D146-S148 WeakPolarHBondContact OD1-CB 3.44Å; D146-S148 PolarHBondContact OD1-N 3.2Å; D146-S148 PolarHBondContact OD1-OG 2.63Å; D146-S148 PolarHBondContact OD2-OG 3.48Å; D146-S149 WeakPolarHBondContact O-CB 3.41Å; D146-S149 PolarHBondContact O-N 3.47Å; D146-S149 VanDerWaalsContact O-N 3.15Å; D146-S149 PolarHBondContact OD2-N 3.09Å; D146-S149 PolarHBondContact OD2-OG 3.4Å | ||
| 147 | N | 78.9 | Confident | 87.3 | Confident | 134 Ų | 134 | 61.8 Ų | 61.8 | 72% | 0.717 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.2 | 178.1 | -65 | -45.7 | 0 | 0 | 0 | 112.8 | N145 K184 | N145-N147 PolarHBondContact O-N 3.44Å; N147-K184 PolarHBondContact OD1-NZ 3.08Å |
| 148 | S | 82.1 | Confident | 87.5 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 70% | 0.699 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7 | 175.3 | 77.3 | 0 | 0 | 0 | 0 | 114.3 | D146 | D146-S148 PolarHBondContact O-N 3.39Å; D146-S148 VanDerWaalsContact O-N 3.16Å; D146-S148 WeakPolarHBondContact OD1-CB 3.44Å; D146-S148 PolarHBondContact OD1-N 3.2Å; D146-S148 PolarHBondContact OD1-OG 2.63Å; D146-S148 PolarHBondContact OD2-OG 3.48Å |
| 149 | S | 82.6 | Confident | 87.7 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | trans | -66 | 133.4 | 179.8 | -72.2 | 0 | 0 | 0 | 0 | 112.2 | I143 D146 | I143-S149 PolarHBondContact O-OG 3.47Å; I143-S149 VanDerWaalsContact O-OG 3.14Å; D146-S149 WeakPolarHBondContact O-CB 3.41Å; D146-S149 PolarHBondContact O-N 3.47Å; D146-S149 VanDerWaalsContact O-N 3.15Å; D146-S149 PolarHBondContact OD2-N 3.09Å; D146-S149 PolarHBondContact OD2-OG 3.4Å | ||
| 150 | S | 85.4 | Confident | 87.9 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | trans | -68 | 157.7 | 177 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | E152 E153 L154 | S150-E152 PolarHBondContact O-N 2.86Å; S150-E153 WeakPolarHBondContact CB-OE2 3.44Å; S150-E153 PolarHBondContact N-OE2 3.34Å; S150-E153 PolarHBondContact O-N 3.34Å; S150-E153 VanDerWaalsContact O-N 3.15Å; S150-E153 WeakPolarHBondContact OG-CB 3.32Å; S150-E153 VanDerWaalsContact OG-CG 3.23Å; S150-E153 WeakPolarHBondContact OG-CG 3.47Å; S150-E153 PolarHBondContact OG-N 2.89Å; S150-E153 PolarHBondContact OG-OE2 2.95Å; S150-L154 WeakPolarHBondContact O-CG 3.26Å; S150-L154 PolarHBondContact O-N 3.43Å | ||
| 151 | A | 84.6 | Confident | 88 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.4 | -30.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | E155 L196 | A151-E155 WeakPolarHBondContact O-CB 3.41Å; A151-E155 PolarHBondContact O-N 2.93Å; A151-L196 HydrophobicContact CB-CD2 4.37Å |
| 152 | E | 87.1 | Confident | 88.1 | Confident | 128 Ų | 128 | 56.2 Ų | 56.2 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73.9 | -37.7 | 176.6 | -64.4 | -173.1 | 177.9 | 0 | 0 | 112.7 | S150 E155 K156 | S150-E152 PolarHBondContact O-N 2.86Å; E152-E155 PolarHBondContact O-N 3.37Å; E152-K156 VanDerWaalsContact O-CG 3.31Å; E152-K156 WeakPolarHBondContact O-CG 3.48Å; E152-K156 PolarHBondContact O-N 3.34Å |
| 153 | E | 88 | Confident | 88.2 | Confident | 98 Ų | 98 | 57 Ų | 57 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 174.9 | -73.4 | 163 | 149.6 | 0 | 0 | 111 | I143 S150 K156 A157 | I143-E153 HydrophobicContact CG2-CB 4.28Å; S150-E153 WeakPolarHBondContact CB-OE2 3.44Å; S150-E153 PolarHBondContact N-OE2 3.34Å; S150-E153 PolarHBondContact O-N 3.34Å; S150-E153 VanDerWaalsContact O-N 3.15Å; S150-E153 WeakPolarHBondContact OG-CB 3.32Å; S150-E153 VanDerWaalsContact OG-CG 3.23Å; S150-E153 WeakPolarHBondContact OG-CG 3.47Å; S150-E153 PolarHBondContact OG-N 2.89Å; S150-E153 PolarHBondContact OG-OE2 2.95Å; E153-K156 PolarHBondContact O-N 3.32Å; E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 3.04Å |
| 154 | L | 90.2 | Very high | 88.2 | Confident | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 172.7 | -69.2 | 174.8 | 0 | 0 | 0 | 111.5 | I143 S150 A157 I158 L196 | I143-L154 HydrophobicContact CG2-CD2 4.46Å; S150-L154 WeakPolarHBondContact O-CG 3.26Å; S150-L154 PolarHBondContact O-N 3.43Å; L154-A157 PolarHBondContact O-N 3.26Å; L154-I158 WeakPolarHBondContact O-CD1 3.34Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 2.88Å; L154-L196 HydrophobicContact CB-CD1 3.84Å; L154-L196 HydrophobicContact CB-CD2 4.39Å; L154-L196 HydrophobicContact CD1-CD2 4.42Å |
| 155 | E | 91.2 | Very high | 88.2 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | 176.6 | -175.9 | -175.4 | 158 | 0 | 0 | 110.9 | A151 E152 A157 I158 V159 K195 L196 A199 | A151-E155 WeakPolarHBondContact O-CB 3.41Å; A151-E155 PolarHBondContact O-N 2.93Å; E152-E155 PolarHBondContact O-N 3.37Å; E155-A157 VanDerWaalsContact C-N 3.33Å; E155-A157 PolarHBondContact O-N 3.1Å; E155-I158 PolarHBondContact O-N 3.4Å; E155-V159 HydrophobicContact CG-CG2 4.45Å; E155-V159 WeakPolarHBondContact O-CB 3.43Å; E155-V159 VanDerWaalsContact O-CG2 3.29Å; E155-V159 WeakPolarHBondContact O-CG2 3.44Å; E155-V159 PolarHBondContact O-N 3.16Å; E155-K195 WeakPolarHBondContact OE2-CB 3.4Å; E155-L196 HydrophobicContact CB-CD1 4.1Å; E155-A199 HydrophobicContact CG-CB 4.24Å |
| 156 | K | 91 | Very high | 88.2 | Confident | 129 Ų | 129 | 58.9 Ų | 58.9 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.2 | -42 | 177.4 | -72.7 | 169.2 | -174.2 | 166.4 | 0 | 112 | E152 E153 V159 N160 | E152-K156 VanDerWaalsContact O-CG 3.31Å; E152-K156 WeakPolarHBondContact O-CG 3.48Å; E152-K156 PolarHBondContact O-N 3.34Å; E153-K156 PolarHBondContact O-N 3.32Å; K156-V159 PolarHBondContact O-N 3.25Å; K156-N160 WeakPolarHBondContact O-CB 3.48Å; K156-N160 PolarHBondContact O-N 2.69Å; K156-N160 PolarHBondContact O-ND2 3.18Å |
| 157 | A | 91.3 | Very high | 88 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M140 I143 V144 E153 L154 E155 N160 L161 | M140-A157 HydrophobicContact SD-CB 4.24Å; I143-A157 HydrophobicContact CB-CB 4.21Å; I143-A157 HydrophobicContact CD1-CB 4.4Å; I143-A157 HydrophobicContact CG2-CB 4.04Å; V144-A157 HydrophobicContact CG2-CB 4.38Å; E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 3.04Å; L154-A157 PolarHBondContact O-N 3.26Å; E155-A157 VanDerWaalsContact C-N 3.33Å; E155-A157 PolarHBondContact O-N 3.1Å; A157-N160 PolarHBondContact O-N 3.44Å; A157-L161 WeakPolarHBondContact O-CG 3.47Å; A157-L161 PolarHBondContact O-N 3.47Å |
| 158 | I | 93 | Very high | 88.1 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.3 | -71.5 | 158.5 | 0 | 0 | 0 | 111.5 | L154 E155 N160 L161 S162 V188 L196 A199 C200 L203 | L154-I158 WeakPolarHBondContact O-CD1 3.34Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 2.88Å; E155-I158 PolarHBondContact O-N 3.4Å; I158-N160 VanDerWaalsContact C-N 3.3Å; I158-N160 PolarHBondContact O-N 3Å; I158-L161 WeakPolarHBondContact O-CB 3.38Å; I158-L161 PolarHBondContact O-N 3.46Å; I158-L161 VanDerWaalsContact O-N 3.17Å; I158-S162 PolarHBondContact O-N 3.41Å; I158-V188 HydrophobicContact CD1-CG1 4.09Å; I158-L196 HydrophobicContact CD1-CD1 3.6Å; I158-A199 HydrophobicContact CB-CB 4.43Å; I158-A199 HydrophobicContact CG2-CB 3.82Å; I158-A199 WeakPolarHBondContact CG2-O 3.4Å; I158-C200 WeakPolarHBondContact CD1-SG 3.34Å; I158-L203 HydrophobicContact CG2-CB 4Å; I158-L203 HydrophobicContact CG2-CD2 3.96Å |
| 159 | V | 92.9 | Very high | 88.2 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 38% | 0.382 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 111 | E155 K156 L161 S162 I163 A199 | E155-V159 HydrophobicContact CG-CG2 4.45Å; E155-V159 WeakPolarHBondContact O-CB 3.43Å; E155-V159 VanDerWaalsContact O-CG2 3.29Å; E155-V159 WeakPolarHBondContact O-CG2 3.44Å; E155-V159 PolarHBondContact O-N 3.16Å; K156-V159 PolarHBondContact O-N 3.25Å; V159-L161 PolarHBondContact O-N 3.31Å; V159-S162 WeakPolarHBondContact O-CB 3.17Å; V159-S162 PolarHBondContact O-N 2.95Å; V159-I163 HydrophobicContact CG1-CD1 4.29Å; V159-I163 WeakPolarHBondContact O-CG1 3.36Å; V159-I163 PolarHBondContact O-N 2.95Å; V159-A199 HydrophobicContact CG2-CB 4.18Å |
| 160 | N | 91.7 | Very high | 88.3 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 175.4 | -73.1 | -20.3 | 0 | 0 | 0 | 112.2 | M140 K156 A157 I158 S162 I163 L164 | M140-N160 HydrophobicContact CG-CB 4.4Å; M140-N160 HydrophobicContact SD-CB 3.7Å; K156-N160 WeakPolarHBondContact O-CB 3.48Å; K156-N160 PolarHBondContact O-N 2.69Å; K156-N160 PolarHBondContact O-ND2 3.18Å; A157-N160 PolarHBondContact O-N 3.44Å; I158-N160 VanDerWaalsContact C-N 3.3Å; I158-N160 PolarHBondContact O-N 3Å; N160-S162 VanDerWaalsContact C-N 3.32Å; N160-S162 PolarHBondContact O-N 3.42Å; N160-I163 WeakPolarHBondContact O-CB 3.46Å; N160-I163 PolarHBondContact O-N 3.46Å; N160-I163 VanDerWaalsContact O-N 3.14Å; N160-L164 WeakPolarHBondContact O-CG 3.46Å; N160-L164 PolarHBondContact O-N 2.92Å |
| 161 | L | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 172 | -67.7 | 175.5 | 0 | 0 | 0 | 111.4 | L137 M140 F141 A157 I158 V159 I163 L164 I165 I176 L203 | L137-L161 HydrophobicContact CD2-CD2 3.51Å; M140-L161 HydrophobicContact CB-CD2 3.78Å; M140-L161 HydrophobicContact CB-CG 4.11Å; M140-L161 HydrophobicContact CG-CD2 4.16Å; M140-L161 HydrophobicContact CG-CG 4.49Å; F141-L161 HydrophobicContact CE2-CD2 4.39Å; A157-L161 WeakPolarHBondContact O-CG 3.47Å; A157-L161 PolarHBondContact O-N 3.47Å; I158-L161 WeakPolarHBondContact O-CB 3.38Å; I158-L161 PolarHBondContact O-N 3.46Å; I158-L161 VanDerWaalsContact O-N 3.17Å; V159-L161 PolarHBondContact O-N 3.31Å; L161-I163 VanDerWaalsContact C-N 3.28Å; L161-I163 PolarHBondContact O-N 3.48Å; L161-L164 HydrophobicContact CD2-CD1 4.43Å; L161-L164 PolarHBondContact O-N 2.9Å; L161-I165 PolarHBondContact O-N 2.9Å; L161-I165 VanDerWaalsContact O-N 3.12Å; L161-I176 HydrophobicContact CB-CD1 4.3Å; L161-I176 HydrophobicContact CD2-CD1 4.24Å; L161-I176 HydrophobicContact CD2-CG1 4.35Å; L161-L203 HydrophobicContact CB-CD1 3.86Å; L161-L203 HydrophobicContact CB-CD2 4.2Å; L161-L203 HydrophobicContact CD1-CD2 4Å |
| 162 | S | 91.5 | Very high | 88.5 | Confident | 12 Ų | 12 | 65 Ų | 65 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -31.8 | 174.5 | -77.4 | 0 | 0 | 0 | 0 | 113.6 | I158 V159 N160 K166 L203 Q206 | I158-S162 PolarHBondContact O-N 3.41Å; V159-S162 WeakPolarHBondContact O-CB 3.17Å; V159-S162 PolarHBondContact O-N 2.95Å; N160-S162 VanDerWaalsContact C-N 3.32Å; N160-S162 PolarHBondContact O-N 3.42Å; S162-K166 WeakPolarHBondContact O-CG 3.34Å; S162-K166 PolarHBondContact O-N 3.49Å; S162-L203 WeakPolarHBondContact OG-CA 3.42Å; S162-Q206 PolarHBondContact OG-OE1 3.34Å |
| 163 | I | 90.2 | Very high | 88.6 | Confident | 76 Ų | 76 | 59.4 Ų | 59.4 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.4 | -43.4 | 174.1 | -66.4 | 166.9 | 0 | 0 | 0 | 110.2 | V159 N160 L161 I165 K166 E167 | V159-I163 HydrophobicContact CG1-CD1 4.29Å; V159-I163 WeakPolarHBondContact O-CG1 3.36Å; V159-I163 PolarHBondContact O-N 2.95Å; N160-I163 WeakPolarHBondContact O-CB 3.46Å; N160-I163 PolarHBondContact O-N 3.46Å; N160-I163 VanDerWaalsContact O-N 3.14Å; L161-I163 VanDerWaalsContact C-N 3.28Å; L161-I163 PolarHBondContact O-N 3.48Å; I163-I165 VanDerWaalsContact C-N 3.28Å; I163-I165 PolarHBondContact O-N 3.14Å; I163-K166 WeakPolarHBondContact O-CB 3.49Å; I163-K166 PolarHBondContact O-N 3Å; I163-E167 PolarHBondContact O-N 3.05Å; I163-E167 VanDerWaalsContact O-N 3.14Å |
| 164 | L | 88.3 | Confident | 88.7 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -36.4 | 177.3 | -65.2 | 175.1 | 0 | 0 | 0 | 112.6 | L133 K136 L137 N160 L161 E167 N168 | L133-L164 HydrophobicContact CD1-CB 4.27Å; L133-L164 HydrophobicContact CD1-CD1 4.24Å; L133-L164 HydrophobicContact CD1-CD2 4.14Å; L133-L164 HydrophobicContact CD1-CG 4.45Å; K136-L164 HydrophobicContact CB-CD1 4.18Å; K136-L164 HydrophobicContact CD-CD2 3.89Å; L137-L164 HydrophobicContact CD2-CD1 3.89Å; L137-L164 HydrophobicContact CG-CD1 4.38Å; N160-L164 WeakPolarHBondContact O-CG 3.46Å; N160-L164 PolarHBondContact O-N 2.92Å; L161-L164 HydrophobicContact CD2-CD1 4.43Å; L161-L164 PolarHBondContact O-N 2.9Å; L164-E167 PolarHBondContact O-N 3.4Å; L164-N168 PolarHBondContact O-N 3.31Å |
| 165 | I | 88.3 | Confident | 88.7 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 173.6 | -64.8 | 173.9 | 0 | 0 | 0 | 111 | L161 I163 E167 N168 P169 A172 S173 I176 L203 Q206 I207 | L161-I165 PolarHBondContact O-N 2.9Å; L161-I165 VanDerWaalsContact O-N 3.12Å; I163-I165 VanDerWaalsContact C-N 3.28Å; I163-I165 PolarHBondContact O-N 3.14Å; I165-E167 VanDerWaalsContact C-N 3.26Å; I165-E167 PolarHBondContact O-N 3.06Å; I165-N168 CarbonylContact O-C 3.58Å; I165-N168 VanDerWaalsContact O-C 3.27Å; I165-N168 PolarHBondContact O-N 3.29Å; I165-P169 WeakPolarHBondContact O-CA 3.33Å; I165-P169 WeakPolarHBondContact O-CD 3.41Å; I165-P169 WeakPolarHBondContact O-CG 3.38Å; I165-A172 HydrophobicContact CG1-CB 4.23Å; I165-S173 WeakPolarHBondContact CG2-OG 3.17Å; I165-I176 HydrophobicContact CD1-CD1 3.83Å; I165-I176 HydrophobicContact CG1-CD1 3.68Å; I165-L203 HydrophobicContact CD1-CD1 3.59Å; I165-Q206 HydrophobicContact CD1-CB 4.32Å; I165-Q206 HydrophobicContact CG2-CB 4.23Å; I165-I207 HydrophobicContact CD1-CD1 4.23Å; I165-I207 HydrophobicContact CD1-CG1 3.59Å |
| 166 | K | 85 | Confident | 88.6 | Confident | 151 Ų | 151 | 56.6 Ų | 56.6 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.6 | -32.7 | 177.8 | -70.7 | 173.9 | -178.9 | 177 | 0 | 112.6 | S162 I163 | S162-K166 WeakPolarHBondContact O-CG 3.34Å; S162-K166 PolarHBondContact O-N 3.49Å; I163-K166 WeakPolarHBondContact O-CB 3.49Å; I163-K166 PolarHBondContact O-N 3Å |
| 167 | E | 81.5 | Confident | 88.6 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.3 | -42.9 | 176.1 | -67.5 | 177.7 | 176.6 | 0 | 0 | 112.2 | I163 L164 I165 | I163-E167 PolarHBondContact O-N 3.05Å; I163-E167 VanDerWaalsContact O-N 3.14Å; L164-E167 PolarHBondContact O-N 3.4Å; I165-E167 VanDerWaalsContact C-N 3.26Å; I165-E167 PolarHBondContact O-N 3.06Å |
| 168 | N | 81.5 | Confident | 88.6 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -136.5 | 78.2 | -178.1 | -68.2 | -75.7 | 0 | 0 | 0 | 112.1 | L164 I165 K170 A172 | L164-N168 PolarHBondContact O-N 3.31Å; I165-N168 CarbonylContact O-C 3.58Å; I165-N168 VanDerWaalsContact O-C 3.27Å; I165-N168 PolarHBondContact O-N 3.29Å; N168-K170 PolarHBondContact O-N 3.44Å; N168-A172 HydrophobicContact CB-CB 4.37Å; N168-A172 WeakPolarHBondContact O-CB 3.34Å; N168-A172 PolarHBondContact O-N 3.26Å |
| 169 | P | 83.1 | Confident | 88.4 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 51% | 0.506 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.8 | -46.2 | -167 | -29 | 34.6 | 0 | 0 | 0 | 115.5 | I165 S173 | I165-P169 WeakPolarHBondContact O-CA 3.33Å; I165-P169 WeakPolarHBondContact O-CD 3.41Å; I165-P169 WeakPolarHBondContact O-CG 3.38Å; P169-S173 VanDerWaalsContact O-CB 3.22Å; P169-S173 WeakPolarHBondContact O-CB 3.29Å; P169-S173 PolarHBondContact O-N 3.13Å; P169-S173 PolarHBondContact O-OG 3.35Å |
| 170 | K | 85.1 | Confident | 88.1 | Confident | 187 Ų | 187 | 61.7 Ų | 61.7 | 81% | 0.813 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -76.6 | -51 | -176.3 | -66.1 | -174.5 | 177.3 | -175.3 | 0 | 112.4 | N168 S174 | N168-K170 PolarHBondContact O-N 3.44Å; K170-S174 WeakPolarHBondContact O-CB 3.46Å; K170-S174 PolarHBondContact O-N 3.24Å |
| 171 | V | 86.8 | Confident | 87.9 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.2 | -46.8 | -173.9 | -178.4 | 0 | 0 | 0 | 0 | 111 | L133 S174 M175 | L133-V171 HydrophobicContact CD2-CG1 4.05Å; V171-S174 PolarHBondContact O-N 3.48Å; V171-M175 HydrophobicContact CG1-CG 4.44Å; V171-M175 HydrophobicContact CG1-SD 3.98Å; V171-M175 VanDerWaalsContact O-CG 3.31Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.33Å |
| 172 | A | 87.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L133 I165 N168 S174 M175 I176 | L133-A172 HydrophobicContact CD1-CB 4.46Å; L133-A172 HydrophobicContact CD2-CB 4.5Å; I165-A172 HydrophobicContact CG1-CB 4.23Å; N168-A172 HydrophobicContact CB-CB 4.37Å; N168-A172 WeakPolarHBondContact O-CB 3.34Å; N168-A172 PolarHBondContact O-N 3.26Å; A172-S174 PolarHBondContact O-N 3.39Å; A172-M175 PolarHBondContact O-N 2.69Å; A172-I176 WeakPolarHBondContact O-CB 3.49Å; A172-I176 WeakPolarHBondContact O-CD1 3.26Å; A172-I176 WeakPolarHBondContact O-CG1 3.34Å; A172-I176 PolarHBondContact O-N 2.77Å |
| 173 | S | 89.7 | Confident | 87.6 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | I165 P169 M175 I176 W177 | I165-S173 WeakPolarHBondContact CG2-OG 3.17Å; P169-S173 VanDerWaalsContact O-CB 3.22Å; P169-S173 WeakPolarHBondContact O-CB 3.29Å; P169-S173 PolarHBondContact O-N 3.13Å; P169-S173 PolarHBondContact O-OG 3.35Å; S173-M175 PolarHBondContact O-N 3.25Å; S173-I176 PolarHBondContact O-N 2.82Å; S173-W177 VanDerWaalsContact O-CB 3.32Å; S173-W177 WeakPolarHBondContact O-CB 3.28Å; S173-W177 PolarHBondContact O-N 3.16Å |
| 174 | S | 90.1 | Very high | 87.4 | Confident | 55 Ų | 55 | 63.1 Ų | 63.1 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | K170 V171 A172 W177 T178 | K170-S174 WeakPolarHBondContact O-CB 3.46Å; K170-S174 PolarHBondContact O-N 3.24Å; V171-S174 PolarHBondContact O-N 3.48Å; A172-S174 PolarHBondContact O-N 3.39Å; S174-W177 PolarHBondContact O-N 3.08Å; S174-T178 WeakPolarHBondContact O-CB 3.27Å; S174-T178 VanDerWaalsContact O-CG2 3.31Å; S174-T178 WeakPolarHBondContact O-CG2 3.47Å; S174-T178 PolarHBondContact O-N 3.16Å; S174-T178 PolarHBondContact O-OG1 3.44Å |
| 175 | M | 88.8 | Confident | 87.5 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 29% | 0.291 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68 | -34.1 | 178.4 | -70 | -177.9 | 78.7 | 0 | 0 | 113.3 | L133 L137 V171 A172 S173 T178 N179 | L133-M175 HydrophobicContact CD2-SD 3.69Å; L133-M175 HydrophobicContact CG-SD 4.18Å; L137-M175 HydrophobicContact CD1-CB 3.67Å; L137-M175 HydrophobicContact CD1-CE 3.97Å; L137-M175 HydrophobicContact CD1-SD 4.18Å; V171-M175 HydrophobicContact CG1-CG 4.44Å; V171-M175 HydrophobicContact CG1-SD 3.98Å; V171-M175 VanDerWaalsContact O-CG 3.31Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.33Å; A172-M175 PolarHBondContact O-N 2.69Å; S173-M175 PolarHBondContact O-N 3.25Å; M175-T178 PolarHBondContact O-OG1 3.15Å; M175-N179 PolarHBondContact O-N 2.8Å |
| 176 | I | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.7 | -45.4 | 176.4 | -69.9 | 165.1 | 0 | 0 | 0 | 110.1 | L137 F141 L161 I165 A172 S173 N179 F182 I207 | L137-I176 HydrophobicContact CD2-CD1 4.12Å; L137-I176 HydrophobicContact CD2-CG1 3.61Å; F141-I176 HydrophobicContact CE2-CG1 4.45Å; F141-I176 HydrophobicContact CE2-CG2 4.48Å; F141-I176 HydrophobicContact CZ-CG2 4.06Å; L161-I176 HydrophobicContact CB-CD1 4.3Å; L161-I176 HydrophobicContact CD2-CD1 4.24Å; L161-I176 HydrophobicContact CD2-CG1 4.35Å; I165-I176 HydrophobicContact CD1-CD1 3.83Å; I165-I176 HydrophobicContact CG1-CD1 3.68Å; A172-I176 WeakPolarHBondContact O-CB 3.49Å; A172-I176 WeakPolarHBondContact O-CD1 3.26Å; A172-I176 WeakPolarHBondContact O-CG1 3.34Å; A172-I176 PolarHBondContact O-N 2.77Å; S173-I176 PolarHBondContact O-N 2.82Å; I176-N179 VanDerWaalsContact O-CB 3.25Å; I176-N179 WeakPolarHBondContact O-CB 3.43Å; I176-N179 PolarHBondContact O-N 2.86Å; I176-F182 HydrophobicContact CG2-CD2 4.05Å; I176-F182 HydrophobicContact CG2-CE2 4.11Å; I176-F182 WeakPolarHBondContact O-CD2 3.5Å; I176-I207 HydrophobicContact CG2-CD1 3.69Å |
| 177 | W | 90.6 | Very high | 87.7 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | -179.8 | -176 | -92.7 | 0 | 0 | 0 | 112.7 | S173 S174 N179 F182 I207 W214 T217 V218 | S173-W177 VanDerWaalsContact O-CB 3.32Å; S173-W177 WeakPolarHBondContact O-CB 3.28Å; S173-W177 PolarHBondContact O-N 3.16Å; S174-W177 PolarHBondContact O-N 3.08Å; W177-N179 PolarHBondContact O-N 2.94Å; W177-F182 HydrophobicContact CD2-CE1 4.26Å; W177-F182 HydrophobicContact CD2-CZ 4.42Å; W177-F182 HydrophobicContact CE3-CD1 4.36Å; W177-F182 AromaticContact CE3-CE1 3.52Å; W177-F182 HydrophobicContact CE3-CE1 3.52Å; W177-F182 HydrophobicContact CE3-CE2 4.16Å; W177-F182 AromaticContact CE3-CZ 3.41Å; W177-F182 HydrophobicContact CE3-CZ 3.41Å; W177-F182 VanDerWaalsContact CE3-CZ 3.41Å; W177-F182 HydrophobicContact CH2-CE1 4.2Å; W177-F182 AromaticContact CZ3-CE1 3.5Å; W177-F182 HydrophobicContact CZ3-CE1 3.5Å; W177-F182 VanDerWaalsContact CZ3-CE1 3.5Å; W177-F182 AromaticContact CZ3-CZ 3.57Å; W177-F182 HydrophobicContact CZ3-CZ 3.57Å; W177-I207 HydrophobicContact CD2-CG2 4.49Å; W177-I207 HydrophobicContact CE3-CG2 3.65Å; W177-I207 HydrophobicContact CZ3-CG2 4.3Å; W177-W214 HydrophobicContact CB-CH2 4.19Å; W177-W214 HydrophobicContact CB-CZ2 4.25Å; W177-W214 HydrophobicContact CB-CZ3 4.31Å; W177-W214 AromaticContact CD1-CE2 3.62Å; W177-W214 AromaticContact CD1-CZ2 3.93Å; W177-W214 AromaticContact CD1-NE1 3.62Å; W177-W214 HydrophobicContact CD2-CB 4.34Å; W177-W214 AromaticContact CD2-CD2 3.68Å; W177-W214 HydrophobicContact CD2-CD2 3.68Å; W177-W214 AromaticContact CD2-CE2 3.97Å; W177-W214 HydrophobicContact CD2-CE3 4.12Å; W177-W214 AromaticContact CD2-CG 3.76Å; W177-W214 HydrophobicContact CD2-CG 3.76Å; W177-W214 AromaticContact CE2-CD1 3.35Å; W177-W214 AromaticContact CE2-CD2 3.85Å; W177-W214 AromaticContact CE2-CE2 3.98Å; W177-W214 AromaticContact CE2-CG 3.49Å; W177-W214 VanDerWaalsContact CE2-CG 3.49Å; W177-W214 AromaticContact CE2-NE1 3.67Å; W177-W214 HydrophobicContact CE3-CB 4.18Å; W177-W214 HydrophobicContact CE3-CD2 4.07Å; W177-W214 HydrophobicContact CE3-CE3 4.2Å; W177-W214 HydrophobicContact CE3-CG 4.06Å; W177-W214 AromaticContact CG-CD2 3.91Å; W177-W214 HydrophobicContact CG-CD2 3.91Å; W177-W214 AromaticContact CG-CE2 3.75Å; W177-W214 HydrophobicContact CG-CE3 4.26Å; W177-W214 HydrophobicContact CG-CG 4.4Å; W177-W214 HydrophobicContact CG-CH2 4.37Å; W177-W214 HydrophobicContact CG-CZ2 4.01Å; W177-W214 HydrophobicContact CG-CZ3 4.47Å; W177-W214 HydrophobicContact CH2-CB 3.49Å; W177-W214 VanDerWaalsContact CH2-CB 3.49Å; W177-W214 AromaticContact CH2-CG 3.87Å; W177-W214 HydrophobicContact CH2-CG 3.87Å; W177-W214 HydrophobicContact CZ2-CB 3.68Å; W177-W214 AromaticContact CZ2-CD1 3.5Å; W177-W214 VanDerWaalsContact CZ2-CD1 3.5Å; W177-W214 HydrophobicContact CZ2-CD2 4.37Å; W177-W214 AromaticContact CZ2-CG 3.56Å; W177-W214 HydrophobicContact CZ2-CG 3.56Å; W177-W214 HydrophobicContact CZ3-CB 3.76Å; W177-W214 HydrophobicContact CZ3-CG 4.1Å; W177-W214 AromaticContact NE1-CD1 3.45Å; W177-W214 AromaticContact NE1-CE2 3.76Å; W177-W214 AromaticContact NE1-CG 3.97Å; W177-W214 AromaticContact NE1-NE1 3.31Å; W177-T217 HydrophobicContact CH2-CG2 4.31Å; W177-T217 HydrophobicContact CZ2-CG2 4.27Å; W177-V218 HydrophobicContact CH2-CG2 3.96Å; W177-V218 HydrophobicContact CZ3-CG2 3.9Å |
| 178 | T | 90.4 | Very high | 87.9 | Confident | 98 Ų | 98 | 53.9 Ų | 53.9 | 60% | 0.601 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -5.1 | 179 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | S174 M175 | S174-T178 WeakPolarHBondContact O-CB 3.27Å; S174-T178 VanDerWaalsContact O-CG2 3.31Å; S174-T178 WeakPolarHBondContact O-CG2 3.47Å; S174-T178 PolarHBondContact O-N 3.16Å; S174-T178 PolarHBondContact O-OG1 3.44Å; M175-T178 PolarHBondContact O-OG1 3.15Å |
| 179 | N | 89.3 | Confident | 88.1 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | trans | -68 | 129.5 | -179.6 | -164.4 | -58.8 | 0 | 0 | 0 | 110.6 | F141 M175 I176 W177 S181 F182 | F141-N179 HydrophobicContact CD2-CB 4.48Å; F141-N179 WeakPolarHBondContact CD2-ND2 3.41Å; F141-N179 HydrophobicContact CE1-CB 4.08Å; F141-N179 HydrophobicContact CE2-CB 3.89Å; F141-N179 WeakPolarHBondContact CE2-ND2 3.07Å; F141-N179 HydrophobicContact CZ-CB 3.64Å; M175-N179 PolarHBondContact O-N 2.8Å; I176-N179 VanDerWaalsContact O-CB 3.25Å; I176-N179 WeakPolarHBondContact O-CB 3.43Å; I176-N179 PolarHBondContact O-N 2.86Å; W177-N179 PolarHBondContact O-N 2.94Å; N179-S181 PolarHBondContact O-N 3.14Å; N179-S181 VanDerWaalsContact OD1-CB 3.31Å; N179-S181 WeakPolarHBondContact OD1-CB 3.19Å; N179-S181 PolarHBondContact OD1-N 3.36Å; N179-S181 PolarHBondContact OD1-OG 3.1Å; N179-F182 WeakPolarHBondContact O-CB 3.48Å; N179-F182 PolarHBondContact O-N 3.28Å | ||
| 180 | P | 87.5 | Confident | 88.2 | Confident | 122 Ų | 122 | 53.5 Ų | 53.5 | 79% | 0.792 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.9 | 177.8 | -26.5 | 34.1 | 0 | 0 | 0 | 114.3 | F182 | P180-F182 VanDerWaalsContact C-N 3.34Š|
| 181 | S | 86.8 | Confident | 88 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.8 | -177.4 | -50.4 | 0 | 0 | 0 | 0 | 113.4 | N145 N179 S183 K184 | N145-S181 WeakPolarHBondContact ND2-CB 3.42Å; N145-S181 PolarHBondContact ND2-OG 3.41Å; N145-S181 VanDerWaalsContact OD1-CB 3.27Å; N145-S181 WeakPolarHBondContact OD1-CB 3.32Å; N145-S181 PolarHBondContact OD1-OG 2.93Å; N179-S181 PolarHBondContact O-N 3.14Å; N179-S181 VanDerWaalsContact OD1-CB 3.31Å; N179-S181 WeakPolarHBondContact OD1-CB 3.19Å; N179-S181 PolarHBondContact OD1-N 3.36Å; N179-S181 PolarHBondContact OD1-OG 3.1Å; S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 3.12Å; S181-K184 WeakPolarHBondContact O-CB 3.44Å; S181-K184 PolarHBondContact O-N 2.93Å |
| 182 | F | 89.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -35.8 | -175.9 | -177.7 | -100 | 0 | 0 | 0 | 112.9 | I176 W177 N179 P180 K184 I185 Y186 L204 I207 | I176-F182 HydrophobicContact CG2-CD2 4.05Å; I176-F182 HydrophobicContact CG2-CE2 4.11Å; I176-F182 WeakPolarHBondContact O-CD2 3.5Å; W177-F182 HydrophobicContact CD2-CE1 4.26Å; W177-F182 HydrophobicContact CD2-CZ 4.42Å; W177-F182 HydrophobicContact CE3-CD1 4.36Å; W177-F182 AromaticContact CE3-CE1 3.52Å; W177-F182 HydrophobicContact CE3-CE1 3.52Å; W177-F182 HydrophobicContact CE3-CE2 4.16Å; W177-F182 AromaticContact CE3-CZ 3.41Å; W177-F182 HydrophobicContact CE3-CZ 3.41Å; W177-F182 VanDerWaalsContact CE3-CZ 3.41Å; W177-F182 HydrophobicContact CH2-CE1 4.2Å; W177-F182 AromaticContact CZ3-CE1 3.5Å; W177-F182 HydrophobicContact CZ3-CE1 3.5Å; W177-F182 VanDerWaalsContact CZ3-CE1 3.5Å; W177-F182 AromaticContact CZ3-CZ 3.57Å; W177-F182 HydrophobicContact CZ3-CZ 3.57Å; N179-F182 WeakPolarHBondContact O-CB 3.48Å; N179-F182 PolarHBondContact O-N 3.28Å; P180-F182 VanDerWaalsContact C-N 3.34Å; F182-K184 PolarHBondContact O-N 3.14Å; F182-K184 VanDerWaalsContact O-N 3.08Å; F182-I185 HydrophobicContact CD2-CD1 3.63Å; F182-I185 HydrophobicContact CE2-CD1 3.8Å; F182-I185 HydrophobicContact CG-CD1 4.47Å; F182-I185 VanDerWaalsContact O-CB 3.25Å; F182-I185 WeakPolarHBondContact O-CB 3.32Å; F182-I185 WeakPolarHBondContact O-CG1 3.28Å; F182-I185 PolarHBondContact O-N 2.92Å; F182-Y186 HydrophobicContact CD1-CE2 4.23Å; F182-Y186 HydrophobicContact CE1-CE2 4Å; F182-Y186 AromaticContact CE1-CZ 3.74Å; F182-Y186 WeakPolarHBondContact CE1-OH 3.18Å; F182-L204 HydrophobicContact CE2-CD2 4.22Å; F182-L204 HydrophobicContact CZ-CD2 3.63Å; F182-I207 HydrophobicContact CE2-CD1 3.87Å; F182-I207 HydrophobicContact CZ-CD1 4.44Å |
| 183 | S | 88.1 | Confident | 87.5 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 57% | 0.573 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.6 | -26.9 | 179.1 | 61 | 0 | 0 | 0 | 0 | 113.5 | S181 I185 Y186 | S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 3.12Å; S183-I185 PolarHBondContact O-N 3.33Å; S183-Y186 PolarHBondContact O-N 3.42Å |
| 184 | K | 87.3 | Confident | 87.3 | Confident | 71 Ų | 71 | 54.9 Ų | 54.9 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.5 | -30.7 | 175.1 | -168.2 | 72.3 | 178.4 | -169 | 0 | 111.6 | V144 N147 S181 F182 Y186 S187 V188 | V144-K184 HydrophobicContact CG1-CB 4.3Å; V144-K184 HydrophobicContact CG1-CG 4.16Å; N147-K184 PolarHBondContact OD1-NZ 3.08Å; S181-K184 WeakPolarHBondContact O-CB 3.44Å; S181-K184 PolarHBondContact O-N 2.93Å; F182-K184 PolarHBondContact O-N 3.14Å; F182-K184 VanDerWaalsContact O-N 3.08Å; K184-Y186 VanDerWaalsContact C-N 3.26Å; K184-Y186 PolarHBondContact O-N 2.86Å; K184-S187 WeakPolarHBondContact CD-OG 3.31Å; K184-S187 WeakPolarHBondContact O-CA 3.25Å; K184-S187 WeakPolarHBondContact O-CB 3.31Å; K184-S187 PolarHBondContact O-N 3.11Å; K184-S187 PolarHBondContact O-OG 3.48Å; K184-V188 WeakPolarHBondContact O-CG2 3.32Å; K184-V188 PolarHBondContact O-N 2.95Å |
| 185 | I | 90.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 178.3 | -59.8 | 178.4 | 0 | 0 | 0 | 110.6 | F141 F182 S183 S187 V188 C189 L203 L204 | F141-I185 HydrophobicContact CE1-CD1 4.41Å; F182-I185 HydrophobicContact CD2-CD1 3.63Å; F182-I185 HydrophobicContact CE2-CD1 3.8Å; F182-I185 HydrophobicContact CG-CD1 4.47Å; F182-I185 VanDerWaalsContact O-CB 3.25Å; F182-I185 WeakPolarHBondContact O-CB 3.32Å; F182-I185 WeakPolarHBondContact O-CG1 3.28Å; F182-I185 PolarHBondContact O-N 2.92Å; S183-I185 PolarHBondContact O-N 3.33Å; I185-S187 VanDerWaalsContact C-N 3.3Å; I185-S187 PolarHBondContact O-N 3.3Å; I185-V188 PolarHBondContact O-N 3.01Å; I185-V188 VanDerWaalsContact O-N 3.11Å; I185-C189 PolarHBondContact O-N 3.36Å; I185-C189 PolarHBondContact O-SG 3.2Å; I185-L203 HydrophobicContact CD1-CD2 4.01Å; I185-L204 HydrophobicContact CG2-CD2 4.24Å; I185-L204 HydrophobicContact CG2-CG 4.36Å |
| 186 | Y | 90.5 | Very high | 87.3 | Confident | 19 Ų | 19 | 56 Ų | 56 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 174.7 | -59.2 | -56.5 | 0 | 0 | 0 | 112.8 | F182 S183 K184 V188 C189 L204 V218 E221 L222 | F182-Y186 HydrophobicContact CD1-CE2 4.23Å; F182-Y186 HydrophobicContact CE1-CE2 4Å; F182-Y186 AromaticContact CE1-CZ 3.74Å; F182-Y186 WeakPolarHBondContact CE1-OH 3.18Å; S183-Y186 PolarHBondContact O-N 3.42Å; K184-Y186 VanDerWaalsContact C-N 3.26Å; K184-Y186 PolarHBondContact O-N 2.86Å; Y186-V188 VanDerWaalsContact C-N 3.33Å; Y186-C189 WeakPolarHBondContact O-CB 3.35Å; Y186-C189 PolarHBondContact O-N 3.16Å; Y186-L204 HydrophobicContact CD1-CD1 4.47Å; Y186-L204 HydrophobicContact CE1-CD1 4.44Å; Y186-L204 HydrophobicContact CE1-CD2 4.42Å; Y186-V218 HydrophobicContact CE1-CB 4.5Å; Y186-V218 HydrophobicContact CE1-CG1 4.48Å; Y186-V218 HydrophobicContact CE1-CG2 4Å; Y186-V218 WeakPolarHBondContact OH-CG2 3.17Å; Y186-E221 HydrophobicContact CD1-CB 4.36Å; Y186-E221 HydrophobicContact CD2-CB 4.37Å; Y186-E221 HydrophobicContact CD2-CG 4.38Å; Y186-E221 HydrophobicContact CE1-CB 4.25Å; Y186-E221 HydrophobicContact CE2-CB 4.27Å; Y186-E221 HydrophobicContact CE2-CG 4.03Å; Y186-E221 HydrophobicContact CG-CB 4.41Å; Y186-L222 HydrophobicContact CD1-CD2 4.21Å; Y186-L222 HydrophobicContact CD1-CG 4.27Å |
| 187 | S | 86.2 | Confident | 87.3 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 174.8 | 77.1 | 0 | 0 | 0 | 0 | 111.7 | K184 I185 R190 | K184-S187 WeakPolarHBondContact CD-OG 3.31Å; K184-S187 WeakPolarHBondContact O-CA 3.25Å; K184-S187 WeakPolarHBondContact O-CB 3.31Å; K184-S187 PolarHBondContact O-N 3.11Å; K184-S187 PolarHBondContact O-OG 3.48Å; I185-S187 VanDerWaalsContact C-N 3.3Å; I185-S187 PolarHBondContact O-N 3.3Å; S187-R190 PolarHBondContact O-N 3.08Å |
| 188 | V | 86.6 | Confident | 87.3 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.2 | -36 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | I158 K184 I185 Y186 R190 N191 L196 | I158-V188 HydrophobicContact CD1-CG1 4.09Å; K184-V188 WeakPolarHBondContact O-CG2 3.32Å; K184-V188 PolarHBondContact O-N 2.95Å; I185-V188 PolarHBondContact O-N 3.01Å; I185-V188 VanDerWaalsContact O-N 3.11Å; Y186-V188 VanDerWaalsContact C-N 3.33Å; V188-R190 PolarHBondContact O-N 3.2Å; V188-R190 VanDerWaalsContact O-N 3.14Å; V188-N191 WeakPolarHBondContact O-CB 3.42Å; V188-N191 PolarHBondContact O-N 3.1Å; V188-N191 VanDerWaalsContact O-N 3.11Å; V188-L196 HydrophobicContact CG1-CD1 3.87Å; V188-L196 HydrophobicContact CG1-CD2 3.62Å; V188-L196 HydrophobicContact CG1-CG 3.62Å |
| 189 | C | 85.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.6 | 173.8 | -69.9 | 0 | 0 | 0 | 0 | 114.2 | I185 Y186 N191 C200 L222 Y226 | I185-C189 PolarHBondContact O-N 3.36Å; I185-C189 PolarHBondContact O-SG 3.2Å; Y186-C189 WeakPolarHBondContact O-CB 3.35Å; Y186-C189 PolarHBondContact O-N 3.16Å; C189-N191 VanDerWaalsContact C-N 3.33Å; C189-C200 WeakPolarHBondContact SG-CB 3.37Å; C189-L222 HydrophobicContact CB-CD2 4.17Å; C189-Y226 PolarHBondContact O-OH 3.22Å |
| 190 | R | 85.2 | Confident | 87.6 | Confident | 147 Ų | 147 | 48.4 Ų | 48.4 | 56% | 0.555 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.9 | -178.9 | -64.5 | 179.5 | -176.9 | 163.2 | 2.4 | 112.8 | S187 V188 E221 Y226 | S187-R190 PolarHBondContact O-N 3.08Å; V188-R190 PolarHBondContact O-N 3.2Å; V188-R190 VanDerWaalsContact O-N 3.14Å; R190-E221 PolarHBondContact NH2-O 3.37Å; R190-Y226 HydrophobicContact CG-CE2 4.25Å |
| 191 | N | 80 | Confident | 87.9 | Confident | 74 Ų | 74 | 42.6 Ų | 42.6 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -75.1 | 158 | -179.9 | -155.8 | -14.1 | 0 | 0 | 0 | 112 | V188 C189 N193 T197 | V188-N191 WeakPolarHBondContact O-CB 3.42Å; V188-N191 PolarHBondContact O-N 3.1Å; V188-N191 VanDerWaalsContact O-N 3.11Å; C189-N191 VanDerWaalsContact C-N 3.33Å; N191-N193 VanDerWaalsContact C-N 3.32Å; N191-N193 PolarHBondContact O-N 3.21Å; N191-T197 PolarHBondContact O-OG1 3.2Å |
| 192 | S | 78.4 | Confident | 88.2 | Confident | 104 Ų | 104 | 47.3 Ų | 47.3 | 73% | 0.727 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -74.3 | -19.9 | -179.3 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | H194 | S192-H194 PolarHBondContact O-N 3.04Š|
| 193 | N | 86 | Confident | 88.4 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | trans | -75.9 | 110.3 | -179.9 | -174.6 | -14.6 | 0 | 0 | 0 | 111.9 | N191 K195 L196 T197 | N191-N193 VanDerWaalsContact C-N 3.32Å; N191-N193 PolarHBondContact O-N 3.21Å; N193-K195 PolarHBondContact O-N 2.73Å; N193-K195 PolarHBondContact OD1-N 3.07Å; N193-L196 HydrophobicContact CB-CB 4.14Å; N193-L196 PolarHBondContact O-N 3.18Å; N193-T197 PolarHBondContact O-N 3.31Å; N193-T197 VanDerWaalsContact O-N 3.09Å; N193-T197 PolarHBondContact O-OG1 3.39Å; N193-T197 VanDerWaalsContact O-OG1 3.12Å | ||
| 194 | H | 86.5 | Confident | 88.7 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 37% | 0.366 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60 | -37 | -179.6 | -62.9 | -56.9 | 0 | 0 | 0 | 114.4 | S192 T197 I198 H238 | S192-H194 PolarHBondContact O-N 3.04Å; H194-T197 PolarHBondContact O-N 2.89Å; H194-I198 WeakPolarHBondContact O-CB 3.49Å; H194-I198 WeakPolarHBondContact O-CD1 3.45Å; H194-I198 WeakPolarHBondContact O-CG1 3.46Å; H194-I198 PolarHBondContact O-N 3.33Å; H194-H238 HydrophobicContact CB-CB 4.45Å; H194-H238 AromaticContact ND1-CD2 3.86Å; H194-H238 AromaticContact ND1-CE1 3.96Å; H194-H238 AromaticContact ND1-CG 3.63Å; H194-H238 AromaticContact ND1-ND1 3.72Å |
| 195 | K | 88.6 | Confident | 88.9 | Confident | 139 Ų | 139 | 40.2 Ų | 40.2 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -66 | -45 | -179.1 | -68.8 | -175.4 | 178.9 | 178.6 | 0 | 111.5 | E155 N193 I198 A199 | E155-K195 WeakPolarHBondContact OE2-CB 3.4Å; N193-K195 PolarHBondContact O-N 2.73Å; N193-K195 PolarHBondContact OD1-N 3.07Å; K195-I198 PolarHBondContact O-N 3.17Å; K195-A199 PolarHBondContact O-N 3.15Å |
| 196 | L | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.5 | -177.2 | 58.9 | 0 | 0 | 0 | 111.3 | A151 L154 E155 I158 V188 N193 A199 C200 | A151-L196 HydrophobicContact CB-CD2 4.37Å; L154-L196 HydrophobicContact CB-CD1 3.84Å; L154-L196 HydrophobicContact CB-CD2 4.39Å; L154-L196 HydrophobicContact CD1-CD2 4.42Å; E155-L196 HydrophobicContact CB-CD1 4.1Å; I158-L196 HydrophobicContact CD1-CD1 3.6Å; V188-L196 HydrophobicContact CG1-CD1 3.87Å; V188-L196 HydrophobicContact CG1-CD2 3.62Å; V188-L196 HydrophobicContact CG1-CG 3.62Å; N193-L196 HydrophobicContact CB-CB 4.14Å; N193-L196 PolarHBondContact O-N 3.18Å; L196-A199 PolarHBondContact O-N 3.43Å; L196-C200 PolarHBondContact O-N 2.89Å; L196-C200 PolarHBondContact O-SG 3.41Å |
| 197 | T | 90.2 | Very high | 89 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | N191 N193 H194 C200 H201 H238 | N191-T197 PolarHBondContact O-OG1 3.2Å; N193-T197 PolarHBondContact O-N 3.31Å; N193-T197 VanDerWaalsContact O-N 3.09Å; N193-T197 PolarHBondContact O-OG1 3.39Å; N193-T197 VanDerWaalsContact O-OG1 3.12Å; H194-T197 PolarHBondContact O-N 2.89Å; T197-C200 PolarHBondContact O-N 3.33Å; T197-H201 WeakPolarHBondContact CG2-CE1 3.26Å; T197-H201 VanDerWaalsContact O-CG 3.28Å; T197-H201 PolarHBondContact O-N 3.33Å; T197-H238 WeakPolarHBondContact CG2-NE2 3.33Å |
| 198 | I | 91.4 | Very high | 89.3 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -45 | 173.2 | -74.6 | 165.9 | 0 | 0 | 0 | 111 | H194 K195 C200 H201 R202 E237 H238 E241 | H194-I198 WeakPolarHBondContact O-CB 3.49Å; H194-I198 WeakPolarHBondContact O-CD1 3.45Å; H194-I198 WeakPolarHBondContact O-CG1 3.46Å; H194-I198 PolarHBondContact O-N 3.33Å; K195-I198 PolarHBondContact O-N 3.17Å; I198-C200 VanDerWaalsContact C-N 3.32Å; I198-C200 PolarHBondContact O-N 3.23Å; I198-H201 PolarHBondContact O-N 2.9Å; I198-R202 VanDerWaalsContact CG2-CZ 3.45Å; I198-R202 WeakPolarHBondContact O-CG 3.27Å; I198-R202 PolarHBondContact O-N 3.49Å; I198-E237 HydrophobicContact CD1-CB 4.35Å; I198-H238 HydrophobicContact CD1-CB 4.4Å; I198-E241 HydrophobicContact CB-CG 4.34Å; I198-E241 HydrophobicContact CG1-CB 4.08Å; I198-E241 HydrophobicContact CG1-CG 4.2Å; I198-E241 HydrophobicContact CG2-CG 4Å |
| 199 | A | 91.8 | Very high | 89 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E155 I158 V159 K195 L196 R202 L203 | E155-A199 HydrophobicContact CG-CB 4.24Å; I158-A199 HydrophobicContact CB-CB 4.43Å; I158-A199 HydrophobicContact CG2-CB 3.82Å; I158-A199 WeakPolarHBondContact CG2-O 3.4Å; V159-A199 HydrophobicContact CG2-CB 4.18Å; K195-A199 PolarHBondContact O-N 3.15Å; L196-A199 PolarHBondContact O-N 3.43Å; A199-R202 PolarHBondContact O-N 3.34Å; A199-L203 PolarHBondContact O-N 3.22Å |
| 200 | C | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 175.7 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | I158 C189 L196 T197 I198 R202 L203 L204 | I158-C200 WeakPolarHBondContact CD1-SG 3.34Å; C189-C200 WeakPolarHBondContact SG-CB 3.37Å; L196-C200 PolarHBondContact O-N 2.89Å; L196-C200 PolarHBondContact O-SG 3.41Å; T197-C200 PolarHBondContact O-N 3.33Å; I198-C200 VanDerWaalsContact C-N 3.32Å; I198-C200 PolarHBondContact O-N 3.23Å; C200-R202 VanDerWaalsContact C-N 3.3Å; C200-R202 PolarHBondContact O-N 3Å; C200-L203 PolarHBondContact O-N 2.73Å; C200-L204 WeakPolarHBondContact O-CB 3.44Å; C200-L204 WeakPolarHBondContact O-CG 3.48Å; C200-L204 PolarHBondContact O-N 3.42Å |
| 201 | H | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 176.6 | -70.5 | 162.5 | 0 | 0 | 0 | 111.7 | T197 I198 L204 A205 Y226 E241 R242 F245 | T197-H201 WeakPolarHBondContact CG2-CE1 3.26Å; T197-H201 VanDerWaalsContact O-CG 3.28Å; T197-H201 PolarHBondContact O-N 3.33Å; I198-H201 PolarHBondContact O-N 2.9Å; H201-L204 PolarHBondContact O-N 2.94Å; H201-A205 WeakPolarHBondContact O-CB 3.43Å; H201-A205 PolarHBondContact O-N 3.35Å; H201-Y226 AromaticContact NE2-CE1 3.88Å; H201-Y226 AromaticContact NE2-CZ 3.85Å; H201-Y226 PolarHBondContact NE2-OH 3.06Å; H201-E241 HydrophobicContact CB-CG 4.05Å; H201-R242 PolarHBondContact CE1-NE 3.35Å; H201-R242 PolarHBondContact CE1-NH2 2.99Å; H201-F245 HydrophobicContact CB-CB 4.05Å; H201-F245 HydrophobicContact CB-CD1 4.15Å; H201-F245 HydrophobicContact CB-CG 4.14Å; H201-F245 AromaticContact CD2-CD1 3.46Å; H201-F245 VanDerWaalsContact CD2-CD1 3.46Å; H201-F245 WeakPolarHBondContact CD2-CD1 3.41Å; H201-F245 AromaticContact CD2-CE1 3.76Å; H201-F245 AromaticContact CG-CD1 3.8Å |
| 202 | R | 93.3 | Very high | 89.3 | Confident | 123 Ų | 123 | 44.3 Ų | 44.3 | 46% | 0.464 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.4 | -71.8 | 175.3 | -177.9 | 162.2 | 6.4 | 112.2 | I198 A199 C200 Q206 E241 | I198-R202 VanDerWaalsContact CG2-CZ 3.45Å; I198-R202 WeakPolarHBondContact O-CG 3.27Å; I198-R202 PolarHBondContact O-N 3.49Å; A199-R202 PolarHBondContact O-N 3.34Å; C200-R202 VanDerWaalsContact C-N 3.3Å; C200-R202 PolarHBondContact O-N 3Å; R202-Q206 VanDerWaalsContact O-CG 3.28Å; R202-Q206 WeakPolarHBondContact O-CG 3.42Å; R202-Q206 PolarHBondContact O-N 3.02Å; R202-Q206 VanDerWaalsContact O-N 3.1Å; R202-E241 WeakPolarHBondContact CG-OE1 3.37Å; R202-E241 IonicContact CZ-OE2 2.85Å; R202-E241 IonicContact NE-OE1 3.8Å; R202-E241 IonicContact NE-OE2 3.8Å; R202-E241 PolarHBondContact NE-OE2 3.44Å; R202-E241 VanDerWaalsContact NE-OE2 3.11Å; R202-E241 IonicContact NH2-OE2 2.79Å; R202-E241 PolarHBondContact NH2-OE2 2.84Å |
| 203 | L | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -51.8 | 176.3 | 177.3 | 63.9 | 0 | 0 | 0 | 111 | I158 L161 S162 I165 I185 A199 C200 A205 Q206 I207 | I158-L203 HydrophobicContact CG2-CB 4Å; I158-L203 HydrophobicContact CG2-CD2 3.96Å; L161-L203 HydrophobicContact CB-CD1 3.86Å; L161-L203 HydrophobicContact CB-CD2 4.2Å; L161-L203 HydrophobicContact CD1-CD2 4Å; S162-L203 WeakPolarHBondContact OG-CA 3.42Å; I165-L203 HydrophobicContact CD1-CD1 3.59Å; I185-L203 HydrophobicContact CD1-CD2 4.01Å; A199-L203 PolarHBondContact O-N 3.22Å; C200-L203 PolarHBondContact O-N 2.73Å; L203-A205 PolarHBondContact O-N 3.41Å; L203-Q206 PolarHBondContact O-N 3.42Å; L203-I207 HydrophobicContact CD1-CD1 3.95Å; L203-I207 HydrophobicContact CD1-CG1 4.46Å; L203-I207 HydrophobicContact CG-CD1 3.9Å; L203-I207 VanDerWaalsContact O-CG1 3.31Å; L203-I207 WeakPolarHBondContact O-CG1 3.44Å; L203-I207 PolarHBondContact O-N 2.83Å; L203-I207 VanDerWaalsContact O-N 3.11Å |
| 204 | L | 94 | Very high | 90 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | -179.5 | -69.8 | 176.3 | 0 | 0 | 0 | 111.9 | F182 I185 Y186 C200 H201 Q206 I207 V208 L222 F245 | F182-L204 HydrophobicContact CE2-CD2 4.22Å; F182-L204 HydrophobicContact CZ-CD2 3.63Å; I185-L204 HydrophobicContact CG2-CD2 4.24Å; I185-L204 HydrophobicContact CG2-CG 4.36Å; Y186-L204 HydrophobicContact CD1-CD1 4.47Å; Y186-L204 HydrophobicContact CE1-CD1 4.44Å; Y186-L204 HydrophobicContact CE1-CD2 4.42Å; C200-L204 WeakPolarHBondContact O-CB 3.44Å; C200-L204 WeakPolarHBondContact O-CG 3.48Å; C200-L204 PolarHBondContact O-N 3.42Å; H201-L204 PolarHBondContact O-N 2.94Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.4Å; L204-I207 PolarHBondContact O-N 3.18Å; L204-V208 WeakPolarHBondContact O-CG1 3.35Å; L204-V208 WeakPolarHBondContact O-CG2 3.34Å; L204-V208 PolarHBondContact O-N 2.87Å; L204-L222 HydrophobicContact CD1-CD1 4.44Å; L204-F245 HydrophobicContact CB-CD2 4.46Å; L204-F245 HydrophobicContact CB-CE2 3.55Å; L204-F245 HydrophobicContact CB-CZ 3.67Å; L204-F245 HydrophobicContact CD1-CE1 4.38Å; L204-F245 HydrophobicContact CD1-CZ 3.82Å; L204-F245 HydrophobicContact CG-CZ 4.41Å |
| 205 | A | 92.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 13% | 0.132 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | H201 L203 I207 E209 F245 A248 | H201-A205 WeakPolarHBondContact O-CB 3.43Å; H201-A205 PolarHBondContact O-N 3.35Å; L203-A205 PolarHBondContact O-N 3.41Å; A205-I207 VanDerWaalsContact C-N 3.34Å; A205-I207 PolarHBondContact O-N 2.71Å; A205-E209 WeakPolarHBondContact O-CB 3.46Å; A205-E209 PolarHBondContact O-N 3.46Å; A205-E209 VanDerWaalsContact O-N 3.17Å; A205-F245 HydrophobicContact CB-CD2 3.99Å; A205-A248 HydrophobicContact CB-CB 3.63Å |
| 206 | Q | 91.3 | Very high | 90.3 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 22% | 0.22 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 177.5 | -72.2 | 178.7 | -44.5 | 0 | 0 | 113 | S162 I165 R202 L203 L204 | S162-Q206 PolarHBondContact OG-OE1 3.34Å; I165-Q206 HydrophobicContact CD1-CB 4.32Å; I165-Q206 HydrophobicContact CG2-CB 4.23Å; R202-Q206 VanDerWaalsContact O-CG 3.28Å; R202-Q206 WeakPolarHBondContact O-CG 3.42Å; R202-Q206 PolarHBondContact O-N 3.02Å; R202-Q206 VanDerWaalsContact O-N 3.1Å; L203-Q206 PolarHBondContact O-N 3.42Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.4Å |
| 207 | I | 91.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.7 | -44.4 | -179.9 | -66.4 | 167.1 | 0 | 0 | 0 | 110.6 | I165 I176 W177 F182 L203 L204 A205 W214 | I165-I207 HydrophobicContact CD1-CD1 4.23Å; I165-I207 HydrophobicContact CD1-CG1 3.59Å; I176-I207 HydrophobicContact CG2-CD1 3.69Å; W177-I207 HydrophobicContact CD2-CG2 4.49Å; W177-I207 HydrophobicContact CE3-CG2 3.65Å; W177-I207 HydrophobicContact CZ3-CG2 4.3Å; F182-I207 HydrophobicContact CE2-CD1 3.87Å; F182-I207 HydrophobicContact CZ-CD1 4.44Å; L203-I207 HydrophobicContact CD1-CD1 3.95Å; L203-I207 HydrophobicContact CD1-CG1 4.46Å; L203-I207 HydrophobicContact CG-CD1 3.9Å; L203-I207 VanDerWaalsContact O-CG1 3.31Å; L203-I207 WeakPolarHBondContact O-CG1 3.44Å; L203-I207 PolarHBondContact O-N 2.83Å; L203-I207 VanDerWaalsContact O-N 3.11Å; L204-I207 PolarHBondContact O-N 3.18Å; A205-I207 VanDerWaalsContact C-N 3.34Å; A205-I207 PolarHBondContact O-N 2.71Å; I207-W214 HydrophobicContact CG2-CE3 3.56Å; I207-W214 HydrophobicContact CG2-CZ3 3.82Å |
| 208 | V | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.2 | -21.6 | -175.3 | -57.9 | 0 | 0 | 0 | 0 | 114 | L204 N210 E211 W214 V218 A248 I249 S252 | L204-V208 WeakPolarHBondContact O-CG1 3.35Å; L204-V208 WeakPolarHBondContact O-CG2 3.34Å; L204-V208 PolarHBondContact O-N 2.87Å; V208-N210 PolarHBondContact O-N 2.83Å; V208-E211 PolarHBondContact O-N 3.32Å; V208-W214 HydrophobicContact CG1-CB 4.26Å; V208-V218 HydrophobicContact CG1-CB 4.36Å; V208-V218 HydrophobicContact CG1-CG2 3.76Å; V208-A248 HydrophobicContact CG2-CB 4.4Å; V208-I249 HydrophobicContact CG2-CG1 4.37Å; V208-S252 WeakPolarHBondContact O-CB 3.49Å |
| 209 | E | 81.9 | Confident | 90.4 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -33.5 | -166.2 | -172.4 | 171.4 | -163.5 | 0 | 0 | 115.1 | A205 K257 | A205-E209 WeakPolarHBondContact O-CB 3.46Å; A205-E209 PolarHBondContact O-N 3.46Å; A205-E209 VanDerWaalsContact O-N 3.17Å; E209-K257 IonicContact OE1-NZ 2.76Å; E209-K257 PolarHBondContact OE1-NZ 3.43Å |
| 210 | N | 79.8 | Confident | 90.3 | Very high | 118 Ų | 118 | 45.8 Ų | 45.8 | 63% | 0.631 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -2.1 | -178.9 | -62.4 | -59.5 | 0 | 0 | 0 | 114.8 | V208 | V208-N210 PolarHBondContact O-N 2.83Š|
| 211 | E | 87.3 | Confident | 90.2 | Very high | 89 Ų | 89 | 49.8 Ų | 49.8 | 42% | 0.416 | 24% | 0.239 | S | C | . | . | trans | -122.7 | 106.8 | -170.3 | -67.4 | -68.8 | 170.5 | 0 | 0 | 110.9 | V208 W214 G215 | V208-E211 PolarHBondContact O-N 3.32Å; E211-W214 HydrophobicContact CB-CB 4.02Å; E211-W214 HydrophobicContact CB-CD2 3.46Å; E211-W214 VanDerWaalsContact CB-CD2 3.46Å; E211-W214 HydrophobicContact CB-CE3 3.45Å; E211-W214 VanDerWaalsContact CB-CE3 3.45Å; E211-W214 HydrophobicContact CB-CG 3.74Å; E211-W214 HydrophobicContact CB-CZ3 4.05Å; E211-W214 HydrophobicContact CG-CD2 3.85Å; E211-W214 HydrophobicContact CG-CE3 3.57Å; E211-W214 HydrophobicContact CG-CH2 3.89Å; E211-W214 HydrophobicContact CG-CZ2 4.15Å; E211-W214 HydrophobicContact CG-CZ3 3.6Å; E211-W214 PolarHBondContact O-N 2.96Å; E211-G215 PolarHBondContact O-N 2.97Å; E211-G215 VanDerWaalsContact O-N 3.15Å | ||
| 212 | R | 88.2 | Confident | 90 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 26% | 0.26 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -48 | -172 | -173.7 | -167.3 | -60.4 | 166.1 | -0.7 | 112.9 | W214 G215 L216 S252 D288 V291 | R212-W214 PolarHBondContact O-N 2.99Å; R212-G215 WeakPolarHBondContact O-CA 3.47Å; R212-G215 PolarHBondContact O-N 3.28Å; R212-G215 VanDerWaalsContact O-N 3.11Å; R212-L216 PolarHBondContact O-N 3.15Å; R212-S252 WeakPolarHBondContact CA-O 3.38Å; R212-D288 IonicContact NH1-OD2 3.37Å; R212-D288 PolarHBondContact NH1-OD2 3.31Å; R212-D288 VanDerWaalsContact NH1-OD2 3.13Å; R212-V291 HydrophobicContact CG-CG1 4.14Å |
| 213 | D | 88.8 | Confident | 89.7 | Confident | 109 Ų | 109 | 46.7 Ų | 46.7 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.5 | -33 | -176.3 | -62.9 | -27.2 | 0 | 0 | 0 | 111.3 | L216 T217 | D213-L216 PolarHBondContact O-N 3.31Å; D213-T217 WeakPolarHBondContact O-CB 3.39Å; D213-T217 PolarHBondContact O-N 3.46Å; D213-T217 PolarHBondContact O-OG1 2.91Å |
| 214 | W | 92.1 | Very high | 89.2 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 175.9 | -59.5 | -0.4 | 0 | 0 | 0 | 110.6 | W177 I207 V208 E211 R212 T217 V218 | W177-W214 HydrophobicContact CB-CH2 4.19Å; W177-W214 HydrophobicContact CB-CZ2 4.25Å; W177-W214 HydrophobicContact CB-CZ3 4.31Å; W177-W214 AromaticContact CD1-CE2 3.62Å; W177-W214 AromaticContact CD1-CZ2 3.93Å; W177-W214 AromaticContact CD1-NE1 3.62Å; W177-W214 HydrophobicContact CD2-CB 4.34Å; W177-W214 AromaticContact CD2-CD2 3.68Å; W177-W214 HydrophobicContact CD2-CD2 3.68Å; W177-W214 AromaticContact CD2-CE2 3.97Å; W177-W214 HydrophobicContact CD2-CE3 4.12Å; W177-W214 AromaticContact CD2-CG 3.76Å; W177-W214 HydrophobicContact CD2-CG 3.76Å; W177-W214 AromaticContact CE2-CD1 3.35Å; W177-W214 AromaticContact CE2-CD2 3.85Å; W177-W214 AromaticContact CE2-CE2 3.98Å; W177-W214 AromaticContact CE2-CG 3.49Å; W177-W214 VanDerWaalsContact CE2-CG 3.49Å; W177-W214 AromaticContact CE2-NE1 3.67Å; W177-W214 HydrophobicContact CE3-CB 4.18Å; W177-W214 HydrophobicContact CE3-CD2 4.07Å; W177-W214 HydrophobicContact CE3-CE3 4.2Å; W177-W214 HydrophobicContact CE3-CG 4.06Å; W177-W214 AromaticContact CG-CD2 3.91Å; W177-W214 HydrophobicContact CG-CD2 3.91Å; W177-W214 AromaticContact CG-CE2 3.75Å; W177-W214 HydrophobicContact CG-CE3 4.26Å; W177-W214 HydrophobicContact CG-CG 4.4Å; W177-W214 HydrophobicContact CG-CH2 4.37Å; W177-W214 HydrophobicContact CG-CZ2 4.01Å; W177-W214 HydrophobicContact CG-CZ3 4.47Å; W177-W214 HydrophobicContact CH2-CB 3.49Å; W177-W214 VanDerWaalsContact CH2-CB 3.49Å; W177-W214 AromaticContact CH2-CG 3.87Å; W177-W214 HydrophobicContact CH2-CG 3.87Å; W177-W214 HydrophobicContact CZ2-CB 3.68Å; W177-W214 AromaticContact CZ2-CD1 3.5Å; W177-W214 VanDerWaalsContact CZ2-CD1 3.5Å; W177-W214 HydrophobicContact CZ2-CD2 4.37Å; W177-W214 AromaticContact CZ2-CG 3.56Å; W177-W214 HydrophobicContact CZ2-CG 3.56Å; W177-W214 HydrophobicContact CZ3-CB 3.76Å; W177-W214 HydrophobicContact CZ3-CG 4.1Å; W177-W214 AromaticContact NE1-CD1 3.45Å; W177-W214 AromaticContact NE1-CE2 3.76Å; W177-W214 AromaticContact NE1-CG 3.97Å; W177-W214 AromaticContact NE1-NE1 3.31Å; I207-W214 HydrophobicContact CG2-CE3 3.56Å; I207-W214 HydrophobicContact CG2-CZ3 3.82Å; V208-W214 HydrophobicContact CG1-CB 4.26Å; E211-W214 HydrophobicContact CB-CB 4.02Å; E211-W214 HydrophobicContact CB-CD2 3.46Å; E211-W214 VanDerWaalsContact CB-CD2 3.46Å; E211-W214 HydrophobicContact CB-CE3 3.45Å; E211-W214 VanDerWaalsContact CB-CE3 3.45Å; E211-W214 HydrophobicContact CB-CG 3.74Å; E211-W214 HydrophobicContact CB-CZ3 4.05Å; E211-W214 HydrophobicContact CG-CD2 3.85Å; E211-W214 HydrophobicContact CG-CE3 3.57Å; E211-W214 HydrophobicContact CG-CH2 3.89Å; E211-W214 HydrophobicContact CG-CZ2 4.15Å; E211-W214 HydrophobicContact CG-CZ3 3.6Å; E211-W214 PolarHBondContact O-N 2.96Å; R212-W214 PolarHBondContact O-N 2.99Å; W214-T217 PolarHBondContact O-N 3.38Å; W214-V218 WeakPolarHBondContact O-CB 3.41Å; W214-V218 VanDerWaalsContact O-CG2 3.25Å; W214-V218 WeakPolarHBondContact O-CG2 3.21Å; W214-V218 PolarHBondContact O-N 3.19Å |
| 215 | G | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.5 | -47.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E211 R212 V218 L219 S252 | E211-G215 PolarHBondContact O-N 2.97Å; E211-G215 VanDerWaalsContact O-N 3.15Å; R212-G215 WeakPolarHBondContact O-CA 3.47Å; R212-G215 PolarHBondContact O-N 3.28Å; R212-G215 VanDerWaalsContact O-N 3.11Å; G215-V218 PolarHBondContact O-N 3.34Å; G215-L219 WeakPolarHBondContact O-CB 3.48Å; G215-L219 PolarHBondContact O-N 3.46Å; G215-S252 WeakPolarHBondContact CA-OG 3.23Å |
| 216 | L | 90.4 | Very high | 88.5 | Confident | 51 Ų | 51 | 58 Ų | 58 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.8 | -78.2 | 175.8 | 0 | 0 | 0 | 112.3 | R212 D213 L219 H220 L253 V291 P294 | R212-L216 PolarHBondContact O-N 3.15Å; D213-L216 PolarHBondContact O-N 3.31Å; L216-L219 PolarHBondContact O-N 2.93Å; L216-H220 PolarHBondContact O-N 2.96Å; L216-L253 HydrophobicContact CB-CD2 4.4Å; L216-L253 HydrophobicContact CD2-CD2 3.54Å; L216-L253 HydrophobicContact CG-CD2 3.51Å; L216-V291 HydrophobicContact CD1-CG1 4.08Å; L216-V291 HydrophobicContact CD2-CG1 4.25Å; L216-V291 HydrophobicContact CG-CG1 4.34Å; L216-P294 HydrophobicContact CD2-CG 4.22Å |
| 217 | T | 90.9 | Very high | 88.3 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 111 | W177 D213 W214 L219 H220 E221 | W177-T217 HydrophobicContact CH2-CG2 4.31Å; W177-T217 HydrophobicContact CZ2-CG2 4.27Å; D213-T217 WeakPolarHBondContact O-CB 3.39Å; D213-T217 PolarHBondContact O-N 3.46Å; D213-T217 PolarHBondContact O-OG1 2.91Å; W214-T217 PolarHBondContact O-N 3.38Å; T217-L219 VanDerWaalsContact C-N 3.33Å; T217-L219 PolarHBondContact O-N 3.17Å; T217-H220 PolarHBondContact O-N 3.35Å; T217-E221 HydrophobicContact CG2-CG 4.42Å; T217-E221 WeakPolarHBondContact O-CB 3.39Å; T217-E221 WeakPolarHBondContact O-CG 3.35Å; T217-E221 PolarHBondContact O-N 3.18Å |
| 218 | V | 92 | Very high | 88 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.4 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | W177 Y186 V208 W214 G215 H220 E221 L222 F245 I249 | W177-V218 HydrophobicContact CH2-CG2 3.96Å; W177-V218 HydrophobicContact CZ3-CG2 3.9Å; Y186-V218 HydrophobicContact CE1-CB 4.5Å; Y186-V218 HydrophobicContact CE1-CG1 4.48Å; Y186-V218 HydrophobicContact CE1-CG2 4Å; Y186-V218 WeakPolarHBondContact OH-CG2 3.17Å; V208-V218 HydrophobicContact CG1-CB 4.36Å; V208-V218 HydrophobicContact CG1-CG2 3.76Å; W214-V218 WeakPolarHBondContact O-CB 3.41Å; W214-V218 VanDerWaalsContact O-CG2 3.25Å; W214-V218 WeakPolarHBondContact O-CG2 3.21Å; W214-V218 PolarHBondContact O-N 3.19Å; G215-V218 PolarHBondContact O-N 3.34Å; V218-H220 VanDerWaalsContact C-N 3.35Å; V218-E221 PolarHBondContact O-N 3.15Å; V218-L222 HydrophobicContact CG1-CD1 3.99Å; V218-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 PolarHBondContact O-N 2.81Å; V218-F245 HydrophobicContact CG1-CE2 4.17Å; V218-F245 HydrophobicContact CG1-CZ 3.55Å; V218-I249 HydrophobicContact CG1-CD1 4.16Å |
| 219 | L | 90 | Very high | 87.6 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.1 | -177.2 | 63 | 0 | 0 | 0 | 111.7 | G215 L216 T217 T223 F227 I249 L253 P294 I298 | G215-L219 WeakPolarHBondContact O-CB 3.48Å; G215-L219 PolarHBondContact O-N 3.46Å; L216-L219 PolarHBondContact O-N 2.93Å; T217-L219 VanDerWaalsContact C-N 3.33Å; T217-L219 PolarHBondContact O-N 3.17Å; L219-T223 WeakPolarHBondContact O-CA 3.49Å; L219-T223 PolarHBondContact O-N 2.67Å; L219-F227 HydrophobicContact CD1-CD2 4.16Å; L219-F227 HydrophobicContact CD1-CE2 3.82Å; L219-I249 HydrophobicContact CB-CG2 4.46Å; L219-L253 HydrophobicContact CD2-CD1 4.34Å; L219-P294 HydrophobicContact CD2-CB 3.78Å; L219-I298 HydrophobicContact CD1-CD1 4.17Å; L219-I298 HydrophobicContact CD2-CD1 3.94Å |
| 220 | H | 90.1 | Very high | 87.7 | Confident | 146 Ų | 146 | 61 Ų | 61 | 68% | 0.676 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.2 | -47.4 | 176 | -176.8 | -90.9 | 0 | 0 | 0 | 112.1 | L216 T217 V218 T223 | L216-H220 PolarHBondContact O-N 2.96Å; T217-H220 PolarHBondContact O-N 3.35Å; V218-H220 VanDerWaalsContact C-N 3.35Å; H220-T223 PolarHBondContact O-N 2.88Å |
| 221 | E | 89.8 | Confident | 88 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | -178.7 | -74.3 | -60 | 143.4 | 0 | 0 | 113.2 | Y186 R190 T217 V218 | Y186-E221 HydrophobicContact CD1-CB 4.36Å; Y186-E221 HydrophobicContact CD2-CB 4.37Å; Y186-E221 HydrophobicContact CD2-CG 4.38Å; Y186-E221 HydrophobicContact CE1-CB 4.25Å; Y186-E221 HydrophobicContact CE2-CB 4.27Å; Y186-E221 HydrophobicContact CE2-CG 4.03Å; Y186-E221 HydrophobicContact CG-CB 4.41Å; R190-E221 PolarHBondContact NH2-O 3.37Å; T217-E221 HydrophobicContact CG2-CG 4.42Å; T217-E221 WeakPolarHBondContact O-CB 3.39Å; T217-E221 WeakPolarHBondContact O-CG 3.35Å; T217-E221 PolarHBondContact O-N 3.18Å; V218-E221 PolarHBondContact O-N 3.15Å |
| 222 | L | 89.6 | Confident | 88 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -81.4 | -22.6 | 178.5 | -69 | 177.4 | 0 | 0 | 0 | 112.8 | Y186 C189 L204 V218 Y226 F227 F245 | Y186-L222 HydrophobicContact CD1-CD2 4.21Å; Y186-L222 HydrophobicContact CD1-CG 4.27Å; C189-L222 HydrophobicContact CB-CD2 4.17Å; L204-L222 HydrophobicContact CD1-CD1 4.44Å; V218-L222 HydrophobicContact CG1-CD1 3.99Å; V218-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 PolarHBondContact O-N 2.81Å; L222-Y226 HydrophobicContact CB-CD1 3.79Å; L222-Y226 HydrophobicContact CB-CE1 4.28Å; L222-Y226 HydrophobicContact CB-CG 4.3Å; L222-Y226 HydrophobicContact CD1-CD1 4.14Å; L222-Y226 HydrophobicContact CD1-CE1 3.83Å; L222-Y226 HydrophobicContact CD2-CD1 4.24Å; L222-Y226 HydrophobicContact CD2-CE1 4.01Å; L222-Y226 HydrophobicContact CG-CD1 4.29Å; L222-Y226 HydrophobicContact CG-CE1 4.27Å; L222-Y226 WeakPolarHBondContact O-CB 3.22Å; L222-F227 HydrophobicContact CB-CE2 4.05Å; L222-F227 HydrophobicContact CB-CZ 4.38Å; L222-F227 HydrophobicContact CD1-CZ 4.17Å; L222-F245 HydrophobicContact CD1-CE1 3.55Å; L222-F245 HydrophobicContact CD1-CZ 3.88Å |
| 223 | T | 87.9 | Confident | 87.8 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | trans | 68.2 | 150.7 | -176 | 77.7 | 0 | 0 | 0 | 0 | 114.7 | L219 H220 Q225 Y226 F227 | L219-T223 WeakPolarHBondContact O-CA 3.49Å; L219-T223 PolarHBondContact O-N 2.67Å; H220-T223 PolarHBondContact O-N 2.88Å; T223-Q225 VanDerWaalsContact C-N 3.3Å; T223-Q225 PolarHBondContact O-N 2.99Å; T223-Y226 WeakPolarHBondContact O-CB 3.2Å; T223-Y226 PolarHBondContact O-N 3.31Å; T223-F227 WeakPolarHBondContact O-CD2 3.32Å | ||
| 224 | P | 83.3 | Confident | 87.4 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -36 | 176.4 | -27.2 | 35.7 | 0 | 0 | 0 | 114.2 | Y226 F227 V228 | P224-Y226 VanDerWaalsContact C-N 3.27Å; P224-Y226 PolarHBondContact O-N 3.31Å; P224-F227 PolarHBondContact O-N 2.81Å; P224-V228 PolarHBondContact O-N 2.92Å; P224-V228 VanDerWaalsContact O-N 3.11Å |
| 225 | Q | 83.8 | Confident | 87.1 | Confident | 149 Ų | 149 | 56.8 Ų | 56.8 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.9 | -32.7 | -179.9 | -76.8 | 176.3 | -7.9 | 0 | 0 | 113.1 | T223 F227 V228 N229 | T223-Q225 VanDerWaalsContact C-N 3.3Å; T223-Q225 PolarHBondContact O-N 2.99Å; Q225-F227 VanDerWaalsContact C-N 3.26Å; Q225-F227 PolarHBondContact O-N 3.36Å; Q225-V228 PolarHBondContact O-N 3.14Å; Q225-N229 WeakPolarHBondContact O-CB 3.45Å; Q225-N229 PolarHBondContact O-N 3.07Å; Q225-N229 PolarHBondContact O-ND2 2.91Å |
| 226 | Y | 88.9 | Confident | 86.9 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -32.6 | 175.5 | 176.1 | -99.5 | 0 | 0 | 0 | 112.4 | C189 R190 H201 L222 T223 P224 G230 R242 | C189-Y226 PolarHBondContact O-OH 3.22Å; R190-Y226 HydrophobicContact CG-CE2 4.25Å; H201-Y226 AromaticContact NE2-CE1 3.88Å; H201-Y226 AromaticContact NE2-CZ 3.85Å; H201-Y226 PolarHBondContact NE2-OH 3.06Å; L222-Y226 HydrophobicContact CB-CD1 3.79Å; L222-Y226 HydrophobicContact CB-CE1 4.28Å; L222-Y226 HydrophobicContact CB-CG 4.3Å; L222-Y226 HydrophobicContact CD1-CD1 4.14Å; L222-Y226 HydrophobicContact CD1-CE1 3.83Å; L222-Y226 HydrophobicContact CD2-CD1 4.24Å; L222-Y226 HydrophobicContact CD2-CE1 4.01Å; L222-Y226 HydrophobicContact CG-CD1 4.29Å; L222-Y226 HydrophobicContact CG-CE1 4.27Å; L222-Y226 WeakPolarHBondContact O-CB 3.22Å; T223-Y226 WeakPolarHBondContact O-CB 3.2Å; T223-Y226 PolarHBondContact O-N 3.31Å; P224-Y226 VanDerWaalsContact C-N 3.27Å; P224-Y226 PolarHBondContact O-N 3.31Å; Y226-G230 PolarHBondContact O-N 2.72Å; Y226-R242 VanDerWaalsContact CE2-NH1 3.31Å; Y226-R242 PolarHBondContact O-NH1 3.44Å; Y226-R242 PolarHBondContact OH-NH1 2.95Å; Y226-R242 PolarHBondContact OH-NH2 3.25Å |
| 227 | F | 87.4 | Confident | 86.7 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -77.1 | -49.1 | 175.7 | -66.7 | -81.9 | 0 | 0 | 0 | 111.2 | L219 L222 T223 P224 Q225 N229 G230 I231 R242 F245 L246 I249 | L219-F227 HydrophobicContact CD1-CD2 4.16Å; L219-F227 HydrophobicContact CD1-CE2 3.82Å; L222-F227 HydrophobicContact CB-CE2 4.05Å; L222-F227 HydrophobicContact CB-CZ 4.38Å; L222-F227 HydrophobicContact CD1-CZ 4.17Å; T223-F227 WeakPolarHBondContact O-CD2 3.32Å; P224-F227 PolarHBondContact O-N 2.81Å; Q225-F227 VanDerWaalsContact C-N 3.26Å; Q225-F227 PolarHBondContact O-N 3.36Å; F227-N229 PolarHBondContact O-N 3.29Å; F227-G230 PolarHBondContact O-N 3.3Å; F227-I231 VanDerWaalsContact O-CG1 3.29Å; F227-I231 WeakPolarHBondContact O-CG1 3.36Å; F227-I231 PolarHBondContact O-N 3Å; F227-R242 HydrophobicContact CD1-CG 4.45Å; F227-F245 AromaticContact CE1-CD1 3.67Å; F227-F245 HydrophobicContact CE1-CD1 3.67Å; F227-F245 AromaticContact CE1-CE1 3.83Å; F227-F245 HydrophobicContact CE1-CE1 3.83Å; F227-F245 HydrophobicContact CE1-CG 4.42Å; F227-F245 HydrophobicContact CZ-CD1 4.22Å; F227-F245 AromaticContact CZ-CE1 3.89Å; F227-F245 HydrophobicContact CZ-CE1 3.89Å; F227-F245 HydrophobicContact CZ-CZ 4.5Å; F227-L246 HydrophobicContact CB-CD1 4.5Å; F227-L246 HydrophobicContact CD1-CB 4.23Å; F227-L246 HydrophobicContact CD1-CD1 3.89Å; F227-L246 HydrophobicContact CE1-CD1 4.25Å; F227-L246 HydrophobicContact CG-CD1 4.08Å; F227-I249 HydrophobicContact CE1-CD1 3.85Å; F227-I249 HydrophobicContact CE2-CD1 4.31Å; F227-I249 HydrophobicContact CZ-CD1 3.42Å; F227-I249 VanDerWaalsContact CZ-CD1 3.42Å |
| 228 | V | 83.7 | Confident | 86.6 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 30% | 0.303 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.4 | -50.3 | -179.6 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | P224 Q225 G230 I231 F232 | P224-V228 PolarHBondContact O-N 2.92Å; P224-V228 VanDerWaalsContact O-N 3.11Å; Q225-V228 PolarHBondContact O-N 3.14Å; V228-G230 VanDerWaalsContact C-N 3.29Å; V228-G230 PolarHBondContact O-N 3.19Å; V228-I231 PolarHBondContact O-N 3.39Å; V228-F232 HydrophobicContact CG1-CE2 4.25Å; V228-F232 WeakPolarHBondContact O-CD2 3.39Å |
| 229 | N | 82.8 | Confident | 86.5 | Confident | 121 Ų | 121 | 62.3 Ų | 62.3 | 65% | 0.647 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67 | -31.5 | 179.2 | -68.7 | -18.4 | 0 | 0 | 0 | 112.5 | Q225 F227 | Q225-N229 WeakPolarHBondContact O-CB 3.45Å; Q225-N229 PolarHBondContact O-N 3.07Å; Q225-N229 PolarHBondContact O-ND2 2.91Å; F227-N229 PolarHBondContact O-N 3.29Å |
| 230 | G | 84.1 | Confident | 86.5 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.7 | -31.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y226 F227 V228 F232 S233 | Y226-G230 PolarHBondContact O-N 2.72Å; F227-G230 PolarHBondContact O-N 3.3Å; V228-G230 VanDerWaalsContact C-N 3.29Å; V228-G230 PolarHBondContact O-N 3.19Å; G230-F232 VanDerWaalsContact C-N 3.27Å; G230-F232 PolarHBondContact O-N 3.15Å; G230-S233 WeakPolarHBondContact O-CB 3.13Å; G230-S233 PolarHBondContact O-N 2.87Å |
| 231 | I | 86.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.1 | -27.8 | 178.7 | -67 | 162.6 | 0 | 0 | 0 | 111.5 | F227 V228 S233 S239 R242 L246 L302 L311 T315 I319 | F227-I231 VanDerWaalsContact O-CG1 3.29Å; F227-I231 WeakPolarHBondContact O-CG1 3.36Å; F227-I231 PolarHBondContact O-N 3Å; V228-I231 PolarHBondContact O-N 3.39Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S239 PolarHBondContact O-OG 3.07Å; I231-R242 HydrophobicContact CG1-CG 4.27Å; I231-L246 HydrophobicContact CD1-CD2 4.18Å; I231-L302 HydrophobicContact CD1-CD2 3.7Å; I231-L311 HydrophobicContact CG2-CD1 3.59Å; I231-T315 HydrophobicContact CG2-CG2 4.27Å; I231-I319 HydrophobicContact CG2-CD1 3.86Å |
| 232 | F | 86.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 20.4 | 176 | -55.3 | -68.5 | 0 | 0 | 0 | 113.2 | V228 G230 R310 | V228-F232 HydrophobicContact CG1-CE2 4.25Å; V228-F232 WeakPolarHBondContact O-CD2 3.39Å; G230-F232 VanDerWaalsContact C-N 3.27Å; G230-F232 PolarHBondContact O-N 3.15Å; F232-R310 HydrophobicContact CD1-CB 3.98Å |
| 233 | S | 84.6 | Confident | 86.8 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | trans | -59.4 | 135.3 | 177.8 | 163.8 | 0 | 0 | 0 | 0 | 111.5 | G230 I231 N235 H238 | G230-S233 WeakPolarHBondContact O-CB 3.13Å; G230-S233 PolarHBondContact O-N 2.87Å; I231-S233 VanDerWaalsContact C-N 3.32Å; S233-N235 PolarHBondContact O-N 3.17Å; S233-N235 PolarHBondContact OG-N 3.18Å; S233-N235 PolarHBondContact OG-O 2.97Å; S233-H238 WeakPolarHBondContact CB-ND1 3.45Å; S233-H238 PolarHBondContact OG-ND1 2.8Å | ||
| 234 | R | 79.8 | Confident | 87 | Confident | 212 Ų | 212 | 54.9 Ų | 54.9 | 80% | 0.8 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -61.3 | -25.3 | 175.9 | -65 | -177 | -178.4 | 177.9 | -0.2 | 113.4 | P236 | R234-P236 WeakPolarHBondContact O-CD 3.21Š|
| 235 | N | 85.9 | Confident | 87.5 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -85.4 | 116.8 | 172.9 | -177.1 | -28.1 | 0 | 0 | 0 | 110.1 | S233 E237 H238 S239 | S233-N235 PolarHBondContact O-N 3.17Å; S233-N235 PolarHBondContact OG-N 3.18Å; S233-N235 PolarHBondContact OG-O 2.97Å; N235-E237 PolarHBondContact O-N 3.45Å; N235-E237 PolarHBondContact OD1-N 3.36Å; N235-H238 HydrophobicContact CB-CB 4Å; N235-H238 PolarHBondContact O-N 3.38Å; N235-H238 PolarHBondContact OD1-N 2.88Å; N235-S239 WeakPolarHBondContact O-CB 3.46Å; N235-S239 PolarHBondContact O-N 3.5Å |
| 236 | P | 85.2 | Confident | 87.9 | Confident | 75 Ų | 75 | 44.6 Ų | 44.6 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.8 | -32.3 | -175.8 | 25.9 | -33.3 | 0 | 0 | 0 | 113.6 | R234 L240 C312 | R234-P236 WeakPolarHBondContact O-CD 3.21Å; P236-L240 WeakPolarHBondContact O-CB 3.32Å; P236-L240 PolarHBondContact O-N 3.22Å; P236-C312 HydrophobicContact CB-CB 4.34Å |
| 237 | E | 87.4 | Confident | 88 | Confident | 139 Ų | 139 | 43.7 Ų | 43.7 | 65% | 0.65 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -67.8 | -42.9 | 176.8 | -65.3 | -168.5 | 158 | 0 | 0 | 111.2 | I198 N235 L240 E241 | I198-E237 HydrophobicContact CD1-CB 4.35Å; N235-E237 PolarHBondContact O-N 3.45Å; N235-E237 PolarHBondContact OD1-N 3.36Å; E237-L240 PolarHBondContact O-N 3.19Å; E237-E241 WeakPolarHBondContact O-CB 3.49Å; E237-E241 PolarHBondContact O-N 2.89Å |
| 238 | H | 88.8 | Confident | 88.2 | Confident | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.06 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 178 | 177.6 | -109.5 | 0 | 0 | 0 | 112 | H194 T197 I198 S233 N235 R242 | H194-H238 HydrophobicContact CB-CB 4.45Å; H194-H238 AromaticContact ND1-CD2 3.86Å; H194-H238 AromaticContact ND1-CE1 3.96Å; H194-H238 AromaticContact ND1-CG 3.63Å; H194-H238 AromaticContact ND1-ND1 3.72Å; T197-H238 WeakPolarHBondContact CG2-NE2 3.33Å; I198-H238 HydrophobicContact CD1-CB 4.4Å; S233-H238 WeakPolarHBondContact CB-ND1 3.45Å; S233-H238 PolarHBondContact OG-ND1 2.8Å; N235-H238 HydrophobicContact CB-CB 4Å; N235-H238 PolarHBondContact O-N 3.38Å; N235-H238 PolarHBondContact OD1-N 2.88Å; H238-R242 PolarHBondContact CE1-NH2 2.93Å; H238-R242 PolarHBondContact NE2-NH2 3.1Å; H238-R242 WeakPolarHBondContact O-CB 3.41Å; H238-R242 PolarHBondContact O-N 3.38Å |
| 239 | S | 89.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 172.4 | 175 | 0 | 0 | 0 | 0 | 111.7 | I231 N235 R242 C243 T315 | I231-S239 PolarHBondContact O-OG 3.07Å; N235-S239 WeakPolarHBondContact O-CB 3.46Å; N235-S239 PolarHBondContact O-N 3.5Å; S239-R242 VanDerWaalsContact O-CB 3.28Å; S239-R242 WeakPolarHBondContact O-CB 3.49Å; S239-R242 PolarHBondContact O-N 3.07Å; S239-C243 PolarHBondContact O-N 3.32Å; S239-T315 WeakPolarHBondContact OG-CG2 3.31Å; S239-T315 PolarHBondContact OG-OG1 2.76Å |
| 240 | L | 90.7 | Very high | 89.1 | Confident | 26 Ų | 26 | 35.9 Ų | 35.9 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -43.1 | -179.7 | -178.6 | 60.8 | 0 | 0 | 0 | 112.2 | P236 E237 R242 C243 R244 T315 Y318 | P236-L240 WeakPolarHBondContact O-CB 3.32Å; P236-L240 PolarHBondContact O-N 3.22Å; E237-L240 PolarHBondContact O-N 3.19Å; L240-R242 VanDerWaalsContact C-N 3.27Å; L240-R242 PolarHBondContact O-N 3.14Å; L240-C243 PolarHBondContact O-N 3.26Å; L240-R244 WeakPolarHBondContact O-CG 3.44Å; L240-R244 PolarHBondContact O-N 3.12Å; L240-T315 PolarHBondContact N-OG1 3.08Å; L240-Y318 HydrophobicContact CD1-CD1 4.35Å; L240-Y318 HydrophobicContact CD1-CD2 4.26Å; L240-Y318 HydrophobicContact CD1-CG 3.82Å |
| 241 | E | 91.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | 176.5 | -164.8 | 70.2 | -137.5 | 0 | 0 | 111.7 | I198 H201 R202 E237 C243 R244 F245 | I198-E241 HydrophobicContact CB-CG 4.34Å; I198-E241 HydrophobicContact CG1-CB 4.08Å; I198-E241 HydrophobicContact CG1-CG 4.2Å; I198-E241 HydrophobicContact CG2-CG 4Å; H201-E241 HydrophobicContact CB-CG 4.05Å; R202-E241 WeakPolarHBondContact CG-OE1 3.37Å; R202-E241 IonicContact CZ-OE2 2.85Å; R202-E241 IonicContact NE-OE1 3.8Å; R202-E241 IonicContact NE-OE2 3.8Å; R202-E241 PolarHBondContact NE-OE2 3.44Å; R202-E241 VanDerWaalsContact NE-OE2 3.11Å; R202-E241 IonicContact NH2-OE2 2.79Å; R202-E241 PolarHBondContact NH2-OE2 2.84Å; E237-E241 WeakPolarHBondContact O-CB 3.49Å; E237-E241 PolarHBondContact O-N 2.89Å; E241-C243 VanDerWaalsContact C-N 3.33Å; E241-C243 PolarHBondContact O-N 3Å; E241-R244 WeakPolarHBondContact O-CB 3.48Å; E241-R244 PolarHBondContact O-N 3.36Å; E241-R244 IonicContact OE2-NH1 3.31Å; E241-R244 PolarHBondContact OE2-NH1 3.09Å; E241-F245 WeakPolarHBondContact O-CB 3.33Å; E241-F245 PolarHBondContact O-N 3.13Å |
| 242 | R | 91.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 4% | 0.038 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 173.1 | -165.7 | 68.7 | 60.4 | 139.8 | -14.5 | 111.7 | H201 Y226 F227 I231 H238 S239 L240 F245 L246 | H201-R242 PolarHBondContact CE1-NE 3.35Å; H201-R242 PolarHBondContact CE1-NH2 2.99Å; Y226-R242 VanDerWaalsContact CE2-NH1 3.31Å; Y226-R242 PolarHBondContact O-NH1 3.44Å; Y226-R242 PolarHBondContact OH-NH1 2.95Å; Y226-R242 PolarHBondContact OH-NH2 3.25Å; F227-R242 HydrophobicContact CD1-CG 4.45Å; I231-R242 HydrophobicContact CG1-CG 4.27Å; H238-R242 PolarHBondContact CE1-NH2 2.93Å; H238-R242 PolarHBondContact NE2-NH2 3.1Å; H238-R242 WeakPolarHBondContact O-CB 3.41Å; H238-R242 PolarHBondContact O-N 3.38Å; S239-R242 VanDerWaalsContact O-CB 3.28Å; S239-R242 WeakPolarHBondContact O-CB 3.49Å; S239-R242 PolarHBondContact O-N 3.07Å; L240-R242 VanDerWaalsContact C-N 3.27Å; L240-R242 PolarHBondContact O-N 3.14Å; R242-F245 PolarHBondContact O-N 3.31Å; R242-L246 WeakPolarHBondContact O-CB 3.44Å; R242-L246 PolarHBondContact O-N 3.14Å |
| 243 | C | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | 176.8 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | S239 L240 E241 F245 L246 N247 T315 Y318 | S239-C243 PolarHBondContact O-N 3.32Å; L240-C243 PolarHBondContact O-N 3.26Å; E241-C243 VanDerWaalsContact C-N 3.33Å; E241-C243 PolarHBondContact O-N 3Å; C243-F245 VanDerWaalsContact C-N 3.32Å; C243-F245 PolarHBondContact O-N 2.86Å; C243-L246 PolarHBondContact O-N 3.26Å; C243-N247 WeakPolarHBondContact O-CB 3.47Å; C243-N247 PolarHBondContact O-N 2.99Å; C243-T315 HydrophobicContact CB-CG2 4.47Å; C243-T315 WeakPolarHBondContact SG-CG2 3.3Å; C243-Y318 HydrophobicContact CB-CD1 3.57Å; C243-Y318 HydrophobicContact CB-CE1 4.04Å |
| 244 | R | 91.6 | Very high | 90.1 | Very high | 101 Ų | 101 | 32.5 Ų | 32.5 | 38% | 0.381 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 173.4 | -71.8 | 177.3 | -179.4 | 147.4 | 0.4 | 111.9 | L240 E241 N247 A248 Y318 | L240-R244 WeakPolarHBondContact O-CG 3.44Å; L240-R244 PolarHBondContact O-N 3.12Å; E241-R244 WeakPolarHBondContact O-CB 3.48Å; E241-R244 PolarHBondContact O-N 3.36Å; E241-R244 IonicContact OE2-NH1 3.31Å; E241-R244 PolarHBondContact OE2-NH1 3.09Å; R244-N247 WeakPolarHBondContact O-CB 3.32Å; R244-N247 PolarHBondContact O-N 3.2Å; R244-A248 PolarHBondContact O-N 3.17Å; R244-Y318 HydrophobicContact CB-CE1 4.38Å; R244-Y318 HydrophobicContact CG-CE1 3.86Å; R244-Y318 HydrophobicContact CG-CE2 4.2Å |
| 245 | F | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 176.5 | 179.8 | -147.7 | 0 | 0 | 0 | 111.7 | H201 L204 A205 V218 L222 F227 E241 R242 C243 N247 A248 I249 | H201-F245 HydrophobicContact CB-CB 4.05Å; H201-F245 HydrophobicContact CB-CD1 4.15Å; H201-F245 HydrophobicContact CB-CG 4.14Å; H201-F245 AromaticContact CD2-CD1 3.46Å; H201-F245 VanDerWaalsContact CD2-CD1 3.46Å; H201-F245 WeakPolarHBondContact CD2-CD1 3.41Å; H201-F245 AromaticContact CD2-CE1 3.76Å; H201-F245 AromaticContact CG-CD1 3.8Å; L204-F245 HydrophobicContact CB-CD2 4.46Å; L204-F245 HydrophobicContact CB-CE2 3.55Å; L204-F245 HydrophobicContact CB-CZ 3.67Å; L204-F245 HydrophobicContact CD1-CE1 4.38Å; L204-F245 HydrophobicContact CD1-CZ 3.82Å; L204-F245 HydrophobicContact CG-CZ 4.41Å; A205-F245 HydrophobicContact CB-CD2 3.99Å; V218-F245 HydrophobicContact CG1-CE2 4.17Å; V218-F245 HydrophobicContact CG1-CZ 3.55Å; L222-F245 HydrophobicContact CD1-CE1 3.55Å; L222-F245 HydrophobicContact CD1-CZ 3.88Å; F227-F245 AromaticContact CE1-CD1 3.67Å; F227-F245 HydrophobicContact CE1-CD1 3.67Å; F227-F245 AromaticContact CE1-CE1 3.83Å; F227-F245 HydrophobicContact CE1-CE1 3.83Å; F227-F245 HydrophobicContact CE1-CG 4.42Å; F227-F245 HydrophobicContact CZ-CD1 4.22Å; F227-F245 AromaticContact CZ-CE1 3.89Å; F227-F245 HydrophobicContact CZ-CE1 3.89Å; F227-F245 HydrophobicContact CZ-CZ 4.5Å; E241-F245 WeakPolarHBondContact O-CB 3.33Å; E241-F245 PolarHBondContact O-N 3.13Å; R242-F245 PolarHBondContact O-N 3.31Å; C243-F245 VanDerWaalsContact C-N 3.32Å; C243-F245 PolarHBondContact O-N 2.86Å; F245-N247 VanDerWaalsContact C-N 3.29Å; F245-N247 PolarHBondContact O-N 3.21Å; F245-A248 WeakPolarHBondContact O-CB 3.38Å; F245-A248 PolarHBondContact O-N 3.48Å; F245-A248 VanDerWaalsContact O-N 3.12Å; F245-I249 HydrophobicContact CD2-CD1 4.26Å; F245-I249 HydrophobicContact CD2-CG1 4.32Å; F245-I249 HydrophobicContact CE1-CD1 4.37Å; F245-I249 HydrophobicContact CE2-CD1 3.9Å; F245-I249 HydrophobicContact CE2-CG1 4.05Å; F245-I249 HydrophobicContact CZ-CD1 3.98Å; F245-I249 WeakPolarHBondContact O-CG1 3.19Å; F245-I249 PolarHBondContact O-N 2.97Å |
| 246 | L | 92.7 | Very high | 90.4 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -37.8 | 174.6 | -171.4 | 61.4 | 0 | 0 | 0 | 112.2 | F227 I231 R242 C243 I249 L250 I298 L302 | F227-L246 HydrophobicContact CB-CD1 4.5Å; F227-L246 HydrophobicContact CD1-CB 4.23Å; F227-L246 HydrophobicContact CD1-CD1 3.89Å; F227-L246 HydrophobicContact CE1-CD1 4.25Å; F227-L246 HydrophobicContact CG-CD1 4.08Å; I231-L246 HydrophobicContact CD1-CD2 4.18Å; R242-L246 WeakPolarHBondContact O-CB 3.44Å; R242-L246 PolarHBondContact O-N 3.14Å; C243-L246 PolarHBondContact O-N 3.26Å; L246-I249 PolarHBondContact O-N 3.38Å; L246-L250 WeakPolarHBondContact O-CG 3.18Å; L246-L250 PolarHBondContact O-N 3.06Å; L246-I298 HydrophobicContact CD1-CD1 3.93Å; L246-I298 HydrophobicContact CD1-CG1 4.06Å; L246-I298 HydrophobicContact CD1-CG2 3.71Å; L246-I298 HydrophobicContact CD2-CG2 3.85Å; L246-I298 HydrophobicContact CG-CG2 3.75Å; L246-L302 HydrophobicContact CD2-CD1 3.9Å; L246-L302 HydrophobicContact CD2-CD2 3.81Å; L246-L302 HydrophobicContact CD2-CG 4Å |
| 247 | N | 92 | Very high | 90.3 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 7% | 0.07 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 173 | -177 | 25.6 | 0 | 0 | 0 | 112.3 | C243 R244 F245 I249 L250 E251 Y318 I322 Y326 | C243-N247 WeakPolarHBondContact O-CB 3.47Å; C243-N247 PolarHBondContact O-N 2.99Å; R244-N247 WeakPolarHBondContact O-CB 3.32Å; R244-N247 PolarHBondContact O-N 3.2Å; F245-N247 VanDerWaalsContact C-N 3.29Å; F245-N247 PolarHBondContact O-N 3.21Å; N247-I249 VanDerWaalsContact C-N 3.3Å; N247-I249 PolarHBondContact O-N 3.03Å; N247-L250 PolarHBondContact O-N 3.02Å; N247-E251 WeakPolarHBondContact O-CB 3.45Å; N247-E251 PolarHBondContact O-N 3.37Å; N247-Y318 HydrophobicContact CB-CE1 4.19Å; N247-Y318 PolarHBondContact ND2-OH 3.47Å; N247-I322 HydrophobicContact CB-CD1 3.93Å; N247-I322 HydrophobicContact CB-CG1 4.08Å; N247-Y326 PolarHBondContact O-OH 3.47Å; N247-Y326 WeakPolarHBondContact OD1-CE2 3.43Å; N247-Y326 PolarHBondContact OD1-OH 3.21Å |
| 248 | A | 91.5 | Very high | 90 | Very high | 14 Ų | 14 | 19.7 Ų | 19.7 | 12% | 0.116 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -36.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A205 V208 R244 F245 E251 S252 | A205-A248 HydrophobicContact CB-CB 3.63Å; V208-A248 HydrophobicContact CG2-CB 4.4Å; R244-A248 PolarHBondContact O-N 3.17Å; F245-A248 WeakPolarHBondContact O-CB 3.38Å; F245-A248 PolarHBondContact O-N 3.48Å; F245-A248 VanDerWaalsContact O-N 3.12Å; A248-E251 PolarHBondContact O-N 3.35Å; A248-S252 WeakPolarHBondContact O-CB 3.47Å; A248-S252 PolarHBondContact O-N 3.09Å |
| 249 | I | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.2 | -49.1 | 171.9 | -65 | 169.7 | 0 | 0 | 0 | 110 | V208 V218 L219 F227 F245 L246 N247 E251 S252 L253 | V208-I249 HydrophobicContact CG2-CG1 4.37Å; V218-I249 HydrophobicContact CG1-CD1 4.16Å; L219-I249 HydrophobicContact CB-CG2 4.46Å; F227-I249 HydrophobicContact CE1-CD1 3.85Å; F227-I249 HydrophobicContact CE2-CD1 4.31Å; F227-I249 HydrophobicContact CZ-CD1 3.42Å; F227-I249 VanDerWaalsContact CZ-CD1 3.42Å; F245-I249 HydrophobicContact CD2-CD1 4.26Å; F245-I249 HydrophobicContact CD2-CG1 4.32Å; F245-I249 HydrophobicContact CE1-CD1 4.37Å; F245-I249 HydrophobicContact CE2-CD1 3.9Å; F245-I249 HydrophobicContact CE2-CG1 4.05Å; F245-I249 HydrophobicContact CZ-CD1 3.98Å; F245-I249 WeakPolarHBondContact O-CG1 3.19Å; F245-I249 PolarHBondContact O-N 2.97Å; L246-I249 PolarHBondContact O-N 3.38Å; N247-I249 VanDerWaalsContact C-N 3.3Å; N247-I249 PolarHBondContact O-N 3.03Å; I249-E251 VanDerWaalsContact C-N 3.27Å; I249-E251 PolarHBondContact O-N 3.2Å; I249-S252 WeakPolarHBondContact CA-OG 3.41Å; I249-S252 PolarHBondContact O-N 3.44Å; I249-S252 VanDerWaalsContact O-N 3.07Å; I249-S252 PolarHBondContact O-OG 2.87Å; I249-L253 HydrophobicContact CG2-CD1 3.85Å; I249-L253 HydrophobicContact CG2-CG 4.18Å; I249-L253 VanDerWaalsContact O-CG 3.28Å; I249-L253 WeakPolarHBondContact O-CG 3.47Å; I249-L253 PolarHBondContact O-N 2.89Å |
| 250 | L | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.9 | -42.2 | 175.9 | -75.7 | 171.9 | 0 | 0 | 0 | 112.1 | L246 N247 L253 T254 V295 I298 L299 L302 I322 Y326 | L246-L250 WeakPolarHBondContact O-CG 3.18Å; L246-L250 PolarHBondContact O-N 3.06Å; N247-L250 PolarHBondContact O-N 3.02Å; L250-L253 PolarHBondContact O-N 2.97Å; L250-T254 WeakPolarHBondContact O-CB 3.42Å; L250-T254 VanDerWaalsContact O-CG2 3.3Å; L250-T254 WeakPolarHBondContact O-CG2 3.25Å; L250-T254 PolarHBondContact O-N 3.4Å; L250-T254 PolarHBondContact O-OG1 2.92Å; L250-V295 HydrophobicContact CD2-CB 4.48Å; L250-V295 HydrophobicContact CD2-CG1 4.03Å; L250-V295 HydrophobicContact CD2-CG2 4.32Å; L250-I298 HydrophobicContact CD1-CG2 3.85Å; L250-I298 HydrophobicContact CD2-CB 4.1Å; L250-I298 HydrophobicContact CD2-CD1 4.16Å; L250-I298 HydrophobicContact CD2-CG2 3.75Å; L250-I298 HydrophobicContact CG-CG2 3.93Å; L250-L299 HydrophobicContact CD1-CD2 3.9Å; L250-L299 HydrophobicContact CD2-CD2 4.41Å; L250-L299 HydrophobicContact CD2-CG 4.41Å; L250-L302 HydrophobicContact CD1-CD1 4.44Å; L250-I322 HydrophobicContact CD1-CG2 3.65Å; L250-Y326 HydrophobicContact CB-CE1 4.32Å; L250-Y326 HydrophobicContact CB-CE2 3.99Å; L250-Y326 HydrophobicContact CD1-CD2 4.24Å; L250-Y326 HydrophobicContact CD1-CE2 4.12Å |
| 251 | E | 91 | Very high | 88.7 | Confident | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 175 | -176.5 | 62.6 | -131.1 | 0 | 0 | 111.4 | N247 A248 I249 L253 Q255 L256 K257 R325 Y326 | N247-E251 WeakPolarHBondContact O-CB 3.45Å; N247-E251 PolarHBondContact O-N 3.37Å; A248-E251 PolarHBondContact O-N 3.35Å; I249-E251 VanDerWaalsContact C-N 3.27Å; I249-E251 PolarHBondContact O-N 3.2Å; E251-L253 VanDerWaalsContact C-N 3.31Å; E251-L253 PolarHBondContact O-N 3.21Å; E251-Q255 VanDerWaalsContact O-CA 3.28Å; E251-Q255 WeakPolarHBondContact O-CA 3.26Å; E251-Q255 PolarHBondContact O-N 3.16Å; E251-L256 PolarHBondContact OE1-N 2.89Å; E251-K257 VanDerWaalsContact CD-CG 3.47Å; E251-K257 HydrophobicContact CG-CD 3.95Å; E251-K257 HydrophobicContact CG-CG 4.43Å; E251-K257 WeakPolarHBondContact OE1-CB 3.12Å; E251-K257 WeakPolarHBondContact OE1-CG 3.48Å; E251-K257 PolarHBondContact OE1-N 3.01Å; E251-K257 WeakPolarHBondContact OE2-CE 3.48Å; E251-K257 WeakPolarHBondContact OE2-CG 3.46Å; E251-R325 IonicContact OE2-CZ 2.73Å; E251-R325 IonicContact OE2-NH1 3.55Å; E251-R325 IonicContact OE2-NH2 3.03Å; E251-R325 PolarHBondContact OE2-NH2 2.81Å; E251-Y326 WeakPolarHBondContact CA-OH 3.27Å; E251-Y326 PolarHBondContact N-OH 3.37Å; E251-Y326 PolarHBondContact OE2-OH 2.91Å |
| 252 | S | 91.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 178.3 | 74 | 0 | 0 | 0 | 0 | 113 | V208 R212 G215 A248 I249 Q255 | V208-S252 WeakPolarHBondContact O-CB 3.49Å; R212-S252 WeakPolarHBondContact CA-O 3.38Å; G215-S252 WeakPolarHBondContact CA-OG 3.23Å; A248-S252 WeakPolarHBondContact O-CB 3.47Å; A248-S252 PolarHBondContact O-N 3.09Å; I249-S252 WeakPolarHBondContact CA-OG 3.41Å; I249-S252 PolarHBondContact O-N 3.44Å; I249-S252 VanDerWaalsContact O-N 3.07Å; I249-S252 PolarHBondContact O-OG 2.87Å; S252-Q255 WeakPolarHBondContact O-CG 3.28Å |
| 253 | L | 91.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -75.5 | -46.1 | -179 | -65.6 | 179.1 | 0 | 0 | 0 | 111.5 | L216 L219 I249 L250 E251 V291 P294 V295 | L216-L253 HydrophobicContact CB-CD2 4.4Å; L216-L253 HydrophobicContact CD2-CD2 3.54Å; L216-L253 HydrophobicContact CG-CD2 3.51Å; L219-L253 HydrophobicContact CD2-CD1 4.34Å; I249-L253 HydrophobicContact CG2-CD1 3.85Å; I249-L253 HydrophobicContact CG2-CG 4.18Å; I249-L253 VanDerWaalsContact O-CG 3.28Å; I249-L253 WeakPolarHBondContact O-CG 3.47Å; I249-L253 PolarHBondContact O-N 2.89Å; L250-L253 PolarHBondContact O-N 2.97Å; E251-L253 VanDerWaalsContact C-N 3.31Å; E251-L253 PolarHBondContact O-N 3.21Å; L253-V291 HydrophobicContact CB-CB 4.36Å; L253-V291 HydrophobicContact CD2-CB 4.48Å; L253-V291 HydrophobicContact CD2-CG1 4.05Å; L253-P294 HydrophobicContact CD1-CB 4.48Å; L253-V295 HydrophobicContact CB-CG2 3.86Å; L253-V295 HydrophobicContact CD1-CG2 3.92Å |
| 254 | T | 89.7 | Confident | 86.2 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -80.5 | -27.1 | -177.5 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | L250 L256 Y285 V295 Y326 I333 | L250-T254 WeakPolarHBondContact O-CB 3.42Å; L250-T254 VanDerWaalsContact O-CG2 3.3Å; L250-T254 WeakPolarHBondContact O-CG2 3.25Å; L250-T254 PolarHBondContact O-N 3.4Å; L250-T254 PolarHBondContact O-OG1 2.92Å; T254-L256 PolarHBondContact O-N 3.29Å; T254-Y285 WeakPolarHBondContact CA-OH 3.29Å; T254-Y285 WeakPolarHBondContact CB-OH 3.37Å; T254-Y285 WeakPolarHBondContact O-CE2 3.4Å; T254-Y285 PolarHBondContact O-OH 3.41Å; T254-V295 HydrophobicContact CG2-CG1 4.23Å; T254-V295 HydrophobicContact CG2-CG2 4.24Å; T254-Y326 HydrophobicContact CG2-CD1 4.2Å; T254-Y326 HydrophobicContact CG2-CE1 4.32Å; T254-Y326 WeakPolarHBondContact OG1-CE1 3.29Å; T254-I333 HydrophobicContact CG2-CG2 4.04Å |
| 255 | Q | 87.8 | Confident | 85.1 | Confident | 62 Ų | 62 | 32.4 Ų | 32.4 | 29% | 0.29 | 18% | 0.184 | S | C | . | . | trans | 49.7 | 35.5 | -173.6 | -61.2 | -174.6 | -38.6 | 0 | 0 | 113.1 | E251 S252 K257 A258 Y259 | E251-Q255 VanDerWaalsContact O-CA 3.28Å; E251-Q255 WeakPolarHBondContact O-CA 3.26Å; E251-Q255 PolarHBondContact O-N 3.16Å; S252-Q255 WeakPolarHBondContact O-CG 3.28Å; Q255-K257 PolarHBondContact O-N 3.46Å; Q255-A258 HydrophobicContact CB-CB 4.37Å; Q255-A258 PolarHBondContact O-N 3.35Å; Q255-Y259 PolarHBondContact O-N 2.97Å | ||
| 256 | L | 84.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | -170.4 | -166.7 | 65 | 0 | 0 | 0 | 112 | E251 T254 Y259 H260 Y285 Y326 K331 | E251-L256 PolarHBondContact OE1-N 2.89Å; T254-L256 PolarHBondContact O-N 3.29Å; L256-Y259 PolarHBondContact O-N 3.25Å; L256-H260 PolarHBondContact O-CD2 3.3Å; L256-H260 PolarHBondContact O-N 3.5Å; L256-Y285 HydrophobicContact CD1-CD2 4.06Å; L256-Y285 HydrophobicContact CD1-CE1 4.42Å; L256-Y285 HydrophobicContact CD1-CE2 3.93Å; L256-Y285 HydrophobicContact CD1-CG 4.34Å; L256-Y326 HydrophobicContact CD2-CD1 3.88Å; L256-Y326 HydrophobicContact CD2-CE1 4.05Å; L256-K331 WeakPolarHBondContact CD1-O 3.5Å; L256-K331 WeakPolarHBondContact CD2-O 3.5Å |
| 257 | K | 82.9 | Confident | 82.7 | Confident | 83 Ų | 83 | 36.6 Ų | 36.6 | 36% | 0.361 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -46.9 | 172.4 | -73.1 | 172 | -170 | -177 | 0 | 111.4 | E209 E251 Q255 Y259 H260 S261 | E209-K257 IonicContact OE1-NZ 2.76Å; E209-K257 PolarHBondContact OE1-NZ 3.43Å; E251-K257 VanDerWaalsContact CD-CG 3.47Å; E251-K257 HydrophobicContact CG-CD 3.95Å; E251-K257 HydrophobicContact CG-CG 4.43Å; E251-K257 WeakPolarHBondContact OE1-CB 3.12Å; E251-K257 WeakPolarHBondContact OE1-CG 3.48Å; E251-K257 PolarHBondContact OE1-N 3.01Å; E251-K257 WeakPolarHBondContact OE2-CE 3.48Å; E251-K257 WeakPolarHBondContact OE2-CG 3.46Å; Q255-K257 PolarHBondContact O-N 3.46Å; K257-Y259 VanDerWaalsContact C-N 3.31Å; K257-Y259 PolarHBondContact O-N 3.26Å; K257-H260 PolarHBondContact O-N 2.85Å; K257-S261 WeakPolarHBondContact O-CB 3.08Å; K257-S261 PolarHBondContact O-N 2.82Å; K257-S261 PolarHBondContact O-OG 3.48Å; K257-S261 VanDerWaalsContact O-OG 3.11Å |
| 258 | A | 82.2 | Confident | 81.1 | Confident | 58 Ų | 58 | 39.1 Ų | 39.1 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q255 A262 | Q255-A258 HydrophobicContact CB-CB 4.37Å; Q255-A258 PolarHBondContact O-N 3.35Å; A258-A262 VanDerWaalsContact O-CB 3.28Å; A258-A262 WeakPolarHBondContact O-CB 3.43Å; A258-A262 PolarHBondContact O-N 3.48Å |
| 259 | Y | 83.4 | Confident | 79.5 | Confident | 43 Ų | 43 | 47 Ų | 47 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -49 | 174 | 169.9 | -93 | 0 | 0 | 0 | 112.3 | Q255 L256 K257 A262 K263 Y282 P283 Y285 | Q255-Y259 PolarHBondContact O-N 2.97Å; L256-Y259 PolarHBondContact O-N 3.25Å; K257-Y259 VanDerWaalsContact C-N 3.31Å; K257-Y259 PolarHBondContact O-N 3.26Å; Y259-A262 PolarHBondContact O-N 3.33Å; Y259-K263 HydrophobicContact CE1-CD 4.25Å; Y259-K263 WeakPolarHBondContact O-CB 3.43Å; Y259-K263 PolarHBondContact O-N 2.73Å; Y259-Y282 AromaticContact CD2-CE1 3.94Å; Y259-Y282 HydrophobicContact CD2-CE1 3.94Å; Y259-Y282 AromaticContact CE2-CD1 3.88Å; Y259-Y282 HydrophobicContact CE2-CD1 3.88Å; Y259-Y282 AromaticContact CE2-CE1 3.49Å; Y259-Y282 HydrophobicContact CE2-CE1 3.49Å; Y259-Y282 VanDerWaalsContact CE2-CE1 3.49Å; Y259-P283 WeakPolarHBondContact CE2-O 3.48Å; Y259-P283 PolarHBondContact OH-O 3.17Å; Y259-Y285 AromaticContact CD1-CD2 3.9Å; Y259-Y285 HydrophobicContact CD1-CD2 3.9Å; Y259-Y285 HydrophobicContact CD1-CG 4.47Å; Y259-Y285 AromaticContact CD2-CD2 3.86Å; Y259-Y285 HydrophobicContact CD2-CD2 3.86Å; Y259-Y285 HydrophobicContact CE1-CD2 4.35Å; Y259-Y285 HydrophobicContact CE2-CD2 4.29Å; Y259-Y285 AromaticContact CG-CD2 3.64Å; Y259-Y285 HydrophobicContact CG-CD2 3.64Å; Y259-Y285 HydrophobicContact CG-CE2 4.45Å; Y259-Y285 PolarHBondContact OH-N 3.5Å; Y259-Y285 VanDerWaalsContact OH-N 3.1Å |
| 260 | H | 80.8 | Confident | 77.6 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 21% | 0.213 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 179.5 | -72.2 | -57.3 | 0 | 0 | 0 | 111.9 | L256 K257 A262 K263 E264 K331 | L256-H260 PolarHBondContact O-CD2 3.3Å; L256-H260 PolarHBondContact O-N 3.5Å; K257-H260 PolarHBondContact O-N 2.85Å; H260-A262 VanDerWaalsContact C-N 3.29Å; H260-A262 PolarHBondContact O-N 2.96Å; H260-K263 WeakPolarHBondContact O-CB 3.41Å; H260-K263 PolarHBondContact O-N 3.27Å; H260-E264 WeakPolarHBondContact O-CG 3.37Å; H260-E264 PolarHBondContact O-N 3.3Å; H260-K331 PolarHBondContact NE2-O 2.94Å |
| 261 | S | 76.3 | Confident | 75.7 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 51% | 0.51 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -37.5 | 174.6 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | K257 A265 | K257-S261 WeakPolarHBondContact O-CB 3.08Å; K257-S261 PolarHBondContact O-N 2.82Å; K257-S261 PolarHBondContact O-OG 3.48Å; K257-S261 VanDerWaalsContact O-OG 3.11Å; S261-A265 WeakPolarHBondContact O-CB 3.47Å; S261-A265 PolarHBondContact O-N 3.3Å |
| 262 | A | 78.7 | Confident | 73.7 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.3 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A258 Y259 H260 A266 Y282 | A258-A262 VanDerWaalsContact O-CB 3.28Å; A258-A262 WeakPolarHBondContact O-CB 3.43Å; A258-A262 PolarHBondContact O-N 3.48Å; Y259-A262 PolarHBondContact O-N 3.33Å; H260-A262 VanDerWaalsContact C-N 3.29Å; H260-A262 PolarHBondContact O-N 2.96Å; A262-A266 WeakPolarHBondContact O-CB 3.41Å; A262-A266 PolarHBondContact O-N 2.81Å; A262-Y282 VanDerWaalsContact CB-OH 3.3Å; A262-Y282 WeakPolarHBondContact CB-OH 3.4Å |
| 263 | K | 77.3 | Confident | 71.7 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.4 | 179.9 | -177 | 174.4 | -169.1 | 0 | 111.5 | Y259 H260 A266 S267 Y282 | Y259-K263 HydrophobicContact CE1-CD 4.25Å; Y259-K263 WeakPolarHBondContact O-CB 3.43Å; Y259-K263 PolarHBondContact O-N 2.73Å; H260-K263 WeakPolarHBondContact O-CB 3.41Å; H260-K263 PolarHBondContact O-N 3.27Å; K263-A266 PolarHBondContact O-N 3.39Å; K263-S267 PolarHBondContact O-N 3.38Å; K263-Y282 HydrophobicContact CB-CD1 3.78Å; K263-Y282 HydrophobicContact CB-CD2 4.44Å; K263-Y282 HydrophobicContact CB-CE1 3.83Å; K263-Y282 HydrophobicContact CB-CE2 4.5Å; K263-Y282 HydrophobicContact CB-CG 4.1Å; K263-Y282 HydrophobicContact CD-CD1 4.39Å; K263-Y282 HydrophobicContact CG-CD1 3.82Å; K263-Y282 HydrophobicContact CG-CE1 4.4Å; K263-Y282 HydrophobicContact CG-CG 3.89Å |
| 264 | E | 67.8 | Low | 69.5 | Low | 82 Ų | 82 | 75.2 Ų | 75.2 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 176.9 | -74 | 169.2 | -175 | 0 | 0 | 112.2 | H260 A266 S267 V268 | H260-E264 WeakPolarHBondContact O-CG 3.37Å; H260-E264 PolarHBondContact O-N 3.3Å; E264-A266 PolarHBondContact O-N 3.3Å; E264-S267 WeakPolarHBondContact O-CA 3.38Å; E264-S267 WeakPolarHBondContact O-CB 3.41Å; E264-S267 PolarHBondContact O-N 2.61Å; E264-V268 PolarHBondContact O-N 3.31Å |
| 265 | A | 68.3 | Low | 67.4 | Low | 51 Ų | 51 | 85.1 Ų | 85.1 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58 | -34.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S261 R269 | S261-A265 WeakPolarHBondContact O-CB 3.47Å; S261-A265 PolarHBondContact O-N 3.3Å; A265-R269 WeakPolarHBondContact O-CG 3.44Å; A265-R269 PolarHBondContact O-N 2.9Å |
| 266 | A | 69.1 | Low | 65.5 | Low | 27 Ų | 27 | 91.6 Ų | 91.6 | 22% | 0.223 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -72.8 | -30.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A262 K263 E264 K270 Y282 | A262-A266 WeakPolarHBondContact O-CB 3.41Å; A262-A266 PolarHBondContact O-N 2.81Å; K263-A266 PolarHBondContact O-N 3.39Å; E264-A266 PolarHBondContact O-N 3.3Å; A266-K270 WeakPolarHBondContact O-CG 3.1Å; A266-K270 PolarHBondContact O-N 2.83Å; A266-Y282 HydrophobicContact CB-CD2 3.74Å; A266-Y282 HydrophobicContact CB-CE2 3.77Å |
| 267 | S | 66.1 | Low | 63.6 | Low | 66 Ų | 66 | 97.2 Ų | 97.2 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -47.6 | 174.2 | -160.9 | 0 | 0 | 0 | 0 | 111.2 | K263 E264 R269 K270 E271 | K263-S267 PolarHBondContact O-N 3.38Å; E264-S267 WeakPolarHBondContact O-CA 3.38Å; E264-S267 WeakPolarHBondContact O-CB 3.41Å; E264-S267 PolarHBondContact O-N 2.61Å; S267-R269 VanDerWaalsContact C-N 3.34Å; S267-R269 PolarHBondContact O-N 3.3Å; S267-K270 WeakPolarHBondContact O-CB 3.45Å; S267-K270 PolarHBondContact O-N 3.08Å; S267-K270 VanDerWaalsContact O-N 3.11Å; S267-E271 PolarHBondContact O-N 3.12Å |
| 268 | V | 59.4 | Low | 61.8 | Low | 66 Ų | 66 | 97.1 Ų | 97.1 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 178.8 | 178 | 0 | 0 | 0 | 0 | 111.6 | E264 K270 E271 I272 | E264-V268 PolarHBondContact O-N 3.31Å; V268-K270 VanDerWaalsContact C-N 3.29Å; V268-K270 PolarHBondContact O-N 3.23Å; V268-E271 PolarHBondContact O-N 3.33Å; V268-I272 PolarHBondContact O-N 3.19Å |
| 269 | R | 56.3 | Low | 60.1 | Low | 179 Ų | 179 | 99.9 Ų | 99.9 | 68% | 0.675 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -33.6 | 175.3 | -75.2 | -179.4 | -174.6 | -161.2 | 1.3 | 113.2 | A265 S267 I272 E273 | A265-R269 WeakPolarHBondContact O-CG 3.44Å; A265-R269 PolarHBondContact O-N 2.9Å; S267-R269 VanDerWaalsContact C-N 3.34Å; S267-R269 PolarHBondContact O-N 3.3Å; R269-I272 PolarHBondContact O-N 3.02Å; R269-E273 PolarHBondContact O-N 2.99Å |
| 270 | K | 53.8 | Low | 58.5 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 34% | 0.343 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.4 | -34.5 | 178.7 | -75.5 | 172 | 176.3 | 175.4 | 0 | 112.8 | A266 S267 V268 I272 E273 S274 C280 | A266-K270 WeakPolarHBondContact O-CG 3.1Å; A266-K270 PolarHBondContact O-N 2.83Å; S267-K270 WeakPolarHBondContact O-CB 3.45Å; S267-K270 PolarHBondContact O-N 3.08Å; S267-K270 VanDerWaalsContact O-N 3.11Å; V268-K270 VanDerWaalsContact C-N 3.29Å; V268-K270 PolarHBondContact O-N 3.23Å; K270-I272 PolarHBondContact O-N 3.36Å; K270-E273 PolarHBondContact O-N 3.04Å; K270-S274 PolarHBondContact O-N 3.34Å; K270-S274 PolarHBondContact O-OG 3.34Å; K270-C280 PolarHBondContact NZ-O 3.41Å |
| 271 | E | 51.4 | Low | 57.6 | Low | 158 Ų | 158 | 105.6 Ų | 105.6 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.5 | -32.7 | 173.5 | -72.5 | 173.5 | 177.9 | 0 | 0 | 111.2 | S267 V268 | S267-E271 PolarHBondContact O-N 3.12Å; V268-E271 PolarHBondContact O-N 3.33Å |
| 272 | I | 50.4 | Low | 57.3 | Low | 134 Ų | 134 | 105.7 Ų | 105.7 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -79.6 | -37.8 | 177.6 | -58.6 | 169.6 | 0 | 0 | 0 | 112 | V268 R269 K270 | V268-I272 PolarHBondContact O-N 3.19Å; R269-I272 PolarHBondContact O-N 3.02Å; K270-I272 PolarHBondContact O-N 3.36Å |
| 273 | E | 48 | Very low | 57.1 | Low | 169 Ų | 169 | 108.2 Ų | 108.2 | 79% | 0.79 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -104.2 | -3.1 | -168.9 | -74.9 | -175.7 | 167.7 | 0 | 0 | 116.7 | R269 K270 | R269-E273 PolarHBondContact O-N 2.99Å; K270-E273 PolarHBondContact O-N 3.04Å |
| 274 | S | 44.6 | Very low | 57.2 | Low | 62 Ų | 62 | 113.2 Ų | 113.2 | 43% | 0.434 | 61% | 0.605 | S | S | . | * | trans | -126 | 98.6 | -173.9 | 65.1 | 0 | 0 | 0 | 0 | 116 | K270 | K270-S274 PolarHBondContact O-N 3.34Å; K270-S274 PolarHBondContact O-OG 3.34Å | ||
| 275 | K | 45.9 | Very low | 57.9 | Low | 214 Ų | 214 | 111.6 Ų | 111.6 | 93% | 0.93 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -102.9 | 8.2 | 147.2 | -98.8 | -174.2 | -179.5 | 177.2 | 0 | 114.1 | ||
| 276 | K | 48.4 | Very low | 58.6 | Low | 198 Ų | 198 | 118.1 Ų | 118.1 | 86% | 0.861 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -144.1 | 6.3 | -174.2 | -71.4 | -167.7 | 177.1 | 178.5 | 0 | 119.8 | ||
| 277 | V | 44.1 | Very low | 59.3 | Low | 120 Ų | 120 | 117.7 Ų | 117.7 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -135.5 | 136.4 | 176.7 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 278 | A | 46.2 | Very low | 60.1 | Low | 81 Ų | 81 | 117.4 Ų | 117.4 | 67% | 0.669 | 60% | 0.602 | S | S | * | * | trans | -57.4 | 140.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C280 | A278-C280 PolarHBondContact O-N 2.79Š| ||
| 279 | P | 46.2 | Very low | 61.4 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 76% | 0.76 | 61% | 0.614 | S | S | * | * | trans | -66.3 | 107.4 | -172.6 | 24.3 | -32.4 | 0 | 0 | 0 | 111.5 | S281 | P279-S281 PolarHBondContact O-N 2.72Š| ||
| 280 | C | 48.8 | Very low | 62.8 | Low | 100 Ų | 100 | 114.6 Ų | 114.6 | 68% | 0.676 | 61% | 0.608 | S | S | * | * | trans | -66.3 | 112.8 | 162.9 | -71.4 | 0 | 0 | 0 | 0 | 108.1 | K270 A278 | K270-C280 PolarHBondContact NZ-O 3.41Å; A278-C280 PolarHBondContact O-N 2.79Å | ||
| 281 | S | 62.9 | Low | 64.4 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 76% | 0.762 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 138.8 | 177.2 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | P279 | P279-S281 PolarHBondContact O-N 2.72Š|
| 282 | Y | 69.5 | Low | 66.2 | Low | 75 Ų | 75 | 106.6 Ų | 106.6 | 29% | 0.294 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 139.1 | 174.4 | -166.5 | -94.1 | 0 | 0 | 0 | 108.5 | Y259 A262 K263 A266 K284 | Y259-Y282 AromaticContact CD2-CE1 3.94Å; Y259-Y282 HydrophobicContact CD2-CE1 3.94Å; Y259-Y282 AromaticContact CE2-CD1 3.88Å; Y259-Y282 HydrophobicContact CE2-CD1 3.88Å; Y259-Y282 AromaticContact CE2-CE1 3.49Å; Y259-Y282 HydrophobicContact CE2-CE1 3.49Å; Y259-Y282 VanDerWaalsContact CE2-CE1 3.49Å; A262-Y282 VanDerWaalsContact CB-OH 3.3Å; A262-Y282 WeakPolarHBondContact CB-OH 3.4Å; K263-Y282 HydrophobicContact CB-CD1 3.78Å; K263-Y282 HydrophobicContact CB-CD2 4.44Å; K263-Y282 HydrophobicContact CB-CE1 3.83Å; K263-Y282 HydrophobicContact CB-CE2 4.5Å; K263-Y282 HydrophobicContact CB-CG 4.1Å; K263-Y282 HydrophobicContact CD-CD1 4.39Å; K263-Y282 HydrophobicContact CG-CD1 3.82Å; K263-Y282 HydrophobicContact CG-CE1 4.4Å; K263-Y282 HydrophobicContact CG-CG 3.89Å; A266-Y282 HydrophobicContact CB-CD2 3.74Å; A266-Y282 HydrophobicContact CB-CE2 3.77Å; Y282-K284 PolarHBondContact O-N 3.03Å |
| 283 | P | 74.9 | Confident | 68.1 | Low | 93 Ų | 93 | 106.9 Ų | 106.9 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 134.1 | -177.6 | -25.6 | 33.1 | 0 | 0 | 0 | 111 | Y259 | Y259-P283 WeakPolarHBondContact CE2-O 3.48Å; Y259-P283 PolarHBondContact OH-O 3.17Å |
| 284 | K | 78.2 | Confident | 70.1 | Confident | 198 Ų | 198 | 100.2 Ų | 100.2 | 86% | 0.861 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 141.6 | 174.8 | -68.8 | -174.2 | 178.5 | -175.2 | 0 | 109.5 | Y282 K286 | Y282-K284 PolarHBondContact O-N 3.03Å; K284-K286 PolarHBondContact O-N 3.05Å |
| 285 | Y | 84.2 | Confident | 72.3 | Confident | 47 Ų | 47 | 97.2 Ų | 97.2 | 18% | 0.184 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 131 | 175.2 | 179.7 | -95.1 | 0 | 0 | 0 | 109.5 | T254 L256 Y259 I287 I333 | T254-Y285 WeakPolarHBondContact CA-OH 3.29Å; T254-Y285 WeakPolarHBondContact CB-OH 3.37Å; T254-Y285 WeakPolarHBondContact O-CE2 3.4Å; T254-Y285 PolarHBondContact O-OH 3.41Å; L256-Y285 HydrophobicContact CD1-CD2 4.06Å; L256-Y285 HydrophobicContact CD1-CE1 4.42Å; L256-Y285 HydrophobicContact CD1-CE2 3.93Å; L256-Y285 HydrophobicContact CD1-CG 4.34Å; Y259-Y285 AromaticContact CD1-CD2 3.9Å; Y259-Y285 HydrophobicContact CD1-CD2 3.9Å; Y259-Y285 HydrophobicContact CD1-CG 4.47Å; Y259-Y285 AromaticContact CD2-CD2 3.86Å; Y259-Y285 HydrophobicContact CD2-CD2 3.86Å; Y259-Y285 HydrophobicContact CE1-CD2 4.35Å; Y259-Y285 HydrophobicContact CE2-CD2 4.29Å; Y259-Y285 AromaticContact CG-CD2 3.64Å; Y259-Y285 HydrophobicContact CG-CD2 3.64Å; Y259-Y285 HydrophobicContact CG-CE2 4.45Å; Y259-Y285 PolarHBondContact OH-N 3.5Å; Y259-Y285 VanDerWaalsContact OH-N 3.1Å; Y285-I287 HydrophobicContact CE1-CB 4.19Å; Y285-I333 HydrophobicContact CD1-CB 4.47Å; Y285-I333 HydrophobicContact CD1-CG2 4.5Å; Y285-I333 HydrophobicContact CE1-CB 3.93Å; Y285-I333 HydrophobicContact CE1-CG2 3.66Å |
| 286 | K | 81.6 | Confident | 74.4 | Confident | 188 Ų | 188 | 90.3 Ų | 90.3 | 82% | 0.817 | 49% | 0.49 | S | S | * | . | trans | -134.2 | 120.2 | 174.7 | -171.1 | 178.7 | -179.8 | -177.6 | 0 | 108 | K284 | K284-K286 PolarHBondContact O-N 3.05Š| ||
| 287 | I | 84.4 | Confident | 76.3 | Confident | 18 Ų | 18 | 85.6 Ų | 85.6 | 9% | 0.092 | 47% | 0.471 | C | S | . | . | trans | -65.3 | 140.7 | 174.2 | -167.9 | 164.8 | 0 | 0 | 0 | 109.9 | Y285 V291 E292 V295 W335 | Y285-I287 HydrophobicContact CE1-CB 4.19Å; I287-V291 HydrophobicContact CD1-CG2 4.22Å; I287-V291 HydrophobicContact CG1-CG2 3.76Å; I287-E292 HydrophobicContact CG2-CG 3.98Å; I287-V295 HydrophobicContact CD1-CB 4.11Å; I287-V295 HydrophobicContact CD1-CG1 4.09Å; I287-V295 HydrophobicContact CD1-CG2 4.19Å; I287-W335 HydrophobicContact CD1-CH2 4.25Å; I287-W335 HydrophobicContact CD1-CZ2 4.03Å; I287-W335 HydrophobicContact CG2-CZ2 4.31Å | ||
| 288 | D | 83.3 | Confident | 78.5 | Confident | 61 Ų | 61 | 80.6 Ų | 80.6 | 33% | 0.326 | 44% | 0.44 | S | S | . | . | trans | -69.7 | 133.9 | 175.9 | -172.3 | -30 | 0 | 0 | 0 | 109.7 | R212 T290 V291 E292 | R212-D288 IonicContact NH1-OD2 3.37Å; R212-D288 PolarHBondContact NH1-OD2 3.31Å; R212-D288 VanDerWaalsContact NH1-OD2 3.13Å; D288-T290 PolarHBondContact O-N 3.03Å; D288-T290 VanDerWaalsContact O-N 3.09Å; D288-T290 PolarHBondContact OD1-N 3.14Å; D288-T290 PolarHBondContact OD1-OG1 3.02Å; D288-V291 HydrophobicContact CB-CG2 4.11Å; D288-V291 WeakPolarHBondContact O-CG2 3.44Å; D288-V291 PolarHBondContact O-N 3.28Å; D288-V291 VanDerWaalsContact O-N 3.13Å; D288-E292 PolarHBondContact O-N 2.96Å; D288-E292 VanDerWaalsContact O-N 3.11Å | ||
| 289 | S | 85.9 | Confident | 80.7 | Confident | 96 Ų | 96 | 76.8 Ų | 76.8 | 67% | 0.671 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -55.3 | -27 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 290 | T | 85.2 | Confident | 82.7 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.2 | -32.6 | -179.4 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | D288 | D288-T290 PolarHBondContact O-N 3.03Å; D288-T290 VanDerWaalsContact O-N 3.09Å; D288-T290 PolarHBondContact OD1-N 3.14Å; D288-T290 PolarHBondContact OD1-OG1 3.02Å |
| 291 | V | 88.5 | Confident | 84.7 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -100.8 | -10.4 | -178.6 | -57.2 | 0 | 0 | 0 | 0 | 113 | R212 L216 L253 I287 D288 K293 P294 V295 | R212-V291 HydrophobicContact CG-CG1 4.14Å; L216-V291 HydrophobicContact CD1-CG1 4.08Å; L216-V291 HydrophobicContact CD2-CG1 4.25Å; L216-V291 HydrophobicContact CG-CG1 4.34Å; L253-V291 HydrophobicContact CB-CB 4.36Å; L253-V291 HydrophobicContact CD2-CB 4.48Å; L253-V291 HydrophobicContact CD2-CG1 4.05Å; I287-V291 HydrophobicContact CD1-CG2 4.22Å; I287-V291 HydrophobicContact CG1-CG2 3.76Å; D288-V291 HydrophobicContact CB-CG2 4.11Å; D288-V291 WeakPolarHBondContact O-CG2 3.44Å; D288-V291 PolarHBondContact O-N 3.28Å; D288-V291 VanDerWaalsContact O-N 3.13Å; V291-K293 PolarHBondContact O-N 2.9Å; V291-P294 VanDerWaalsContact O-CD 3.32Å; V291-P294 WeakPolarHBondContact O-CD 3.47Å; V291-V295 WeakPolarHBondContact O-CB 3.31Å; V291-V295 VanDerWaalsContact O-CG2 3.29Å; V291-V295 WeakPolarHBondContact O-CG2 3.37Å; V291-V295 PolarHBondContact O-N 3.45Å; V291-V295 VanDerWaalsContact O-N 3.1Å |
| 292 | E | 89.4 | Confident | 86 | Confident | 69 Ų | 69 | 64 Ų | 64 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -53.9 | -50.4 | -176.4 | -160 | -173.2 | 154 | 0 | 0 | 112.1 | I287 D288 V295 E296 W335 K338 | I287-E292 HydrophobicContact CG2-CG 3.98Å; D288-E292 PolarHBondContact O-N 2.96Å; D288-E292 VanDerWaalsContact O-N 3.11Å; E292-V295 PolarHBondContact O-N 3.19Å; E292-E296 WeakPolarHBondContact O-CB 3.34Å; E292-E296 PolarHBondContact O-N 3.44Å; E292-W335 HydrophobicContact CG-CH2 4.16Å; E292-W335 HydrophobicContact CG-CZ2 3.59Å; E292-W335 WeakPolarHBondContact O-CH2 3.33Å; E292-K338 IonicContact OE1-NZ 3.53Å; E292-K338 PolarHBondContact OE1-NZ 2.88Å |
| 293 | K | 89.7 | Confident | 87 | Confident | 139 Ų | 139 | 60.7 Ų | 60.7 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.4 | -49.8 | -177.2 | 177.5 | -179.1 | 179.6 | -176.1 | 0 | 113.2 | V291 V295 E296 E297 | V291-K293 PolarHBondContact O-N 2.9Å; K293-V295 VanDerWaalsContact C-N 3.3Å; K293-V295 PolarHBondContact O-N 3.42Å; K293-E296 WeakPolarHBondContact O-CB 3.31Å; K293-E296 PolarHBondContact O-N 3.46Å; K293-E297 WeakPolarHBondContact CE-OE1 3.48Å; K293-E297 WeakPolarHBondContact O-CG 3.45Å; K293-E297 PolarHBondContact O-N 3.02Å |
| 294 | P | 89.9 | Confident | 87.7 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.7 | -41 | 173.4 | -28 | 33.2 | 0 | 0 | 0 | 114 | L216 L219 L253 V291 E297 I298 | L216-P294 HydrophobicContact CD2-CG 4.22Å; L219-P294 HydrophobicContact CD2-CB 3.78Å; L253-P294 HydrophobicContact CD1-CB 4.48Å; V291-P294 VanDerWaalsContact O-CD 3.32Å; V291-P294 WeakPolarHBondContact O-CD 3.47Å; P294-E297 PolarHBondContact O-N 3.16Å; P294-I298 WeakPolarHBondContact O-CD1 3.47Å; P294-I298 VanDerWaalsContact O-CG1 3.24Å; P294-I298 WeakPolarHBondContact O-CG1 3.39Å; P294-I298 PolarHBondContact O-N 3.37Å; P294-I298 VanDerWaalsContact O-N 3.12Å |
| 295 | V | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 111 | L250 L253 T254 I287 V291 E292 K293 I298 L299 I333 W335 | L250-V295 HydrophobicContact CD2-CB 4.48Å; L250-V295 HydrophobicContact CD2-CG1 4.03Å; L250-V295 HydrophobicContact CD2-CG2 4.32Å; L253-V295 HydrophobicContact CB-CG2 3.86Å; L253-V295 HydrophobicContact CD1-CG2 3.92Å; T254-V295 HydrophobicContact CG2-CG1 4.23Å; T254-V295 HydrophobicContact CG2-CG2 4.24Å; I287-V295 HydrophobicContact CD1-CB 4.11Å; I287-V295 HydrophobicContact CD1-CG1 4.09Å; I287-V295 HydrophobicContact CD1-CG2 4.19Å; V291-V295 WeakPolarHBondContact O-CB 3.31Å; V291-V295 VanDerWaalsContact O-CG2 3.29Å; V291-V295 WeakPolarHBondContact O-CG2 3.37Å; V291-V295 PolarHBondContact O-N 3.45Å; V291-V295 VanDerWaalsContact O-N 3.1Å; E292-V295 PolarHBondContact O-N 3.19Å; K293-V295 VanDerWaalsContact C-N 3.3Å; K293-V295 PolarHBondContact O-N 3.42Å; V295-I298 PolarHBondContact O-N 3Å; V295-L299 HydrophobicContact CG1-CD1 3.9Å; V295-L299 HydrophobicContact CG1-CG 4.33Å; V295-L299 WeakPolarHBondContact O-CB 3.26Å; V295-L299 WeakPolarHBondContact O-CG 3.31Å; V295-L299 PolarHBondContact O-N 3.3Å; V295-I333 HydrophobicContact CG1-CD1 4.13Å; V295-W335 HydrophobicContact CB-CH2 4.06Å; V295-W335 HydrophobicContact CB-CZ3 4.42Å; V295-W335 HydrophobicContact CG1-CH2 3.81Å; V295-W335 HydrophobicContact CG1-CZ3 3.84Å |
| 296 | E | 89.5 | Confident | 88.4 | Confident | 69 Ų | 69 | 52.5 Ų | 52.5 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.5 | -51.1 | 173.7 | -178.9 | 176.4 | -173.2 | 0 | 0 | 112.1 | E292 K293 I298 L299 T300 W335 K338 | E292-E296 WeakPolarHBondContact O-CB 3.34Å; E292-E296 PolarHBondContact O-N 3.44Å; K293-E296 WeakPolarHBondContact O-CB 3.31Å; K293-E296 PolarHBondContact O-N 3.46Å; E296-I298 VanDerWaalsContact C-N 3.27Å; E296-I298 PolarHBondContact O-N 2.97Å; E296-L299 PolarHBondContact O-N 3.48Å; E296-T300 VanDerWaalsContact O-CB 3.31Å; E296-T300 WeakPolarHBondContact O-CB 2.95Å; E296-T300 PolarHBondContact O-N 2.89Å; E296-T300 PolarHBondContact O-OG1 3.42Å; E296-T300 VanDerWaalsContact O-OG1 3.06Å; E296-W335 VanDerWaalsContact CA-CZ3 3.43Å; E296-W335 HydrophobicContact CB-CH2 3.82Å; E296-W335 HydrophobicContact CB-CZ3 3.77Å; E296-W335 HydrophobicContact CG-CZ3 4.48Å; E296-K338 WeakPolarHBondContact OE1-CE 3.4Å; E296-K338 IonicContact OE1-NZ 2.7Å; E296-K338 PolarHBondContact OE1-NZ 3.09Å; E296-K338 WeakPolarHBondContact OE2-CE 3.39Å; E296-K338 IonicContact OE2-NZ 3.21Å; E296-K338 PolarHBondContact OE2-NZ 2.98Å |
| 297 | E | 88.7 | Confident | 88.8 | Confident | 98 Ų | 98 | 45.5 Ų | 45.5 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.6 | -42.2 | 179.3 | -71.9 | 175.4 | -170.6 | 0 | 0 | 111.7 | K293 P294 S301 | K293-E297 WeakPolarHBondContact CE-OE1 3.48Å; K293-E297 WeakPolarHBondContact O-CG 3.45Å; K293-E297 PolarHBondContact O-N 3.02Å; P294-E297 PolarHBondContact O-N 3.16Å; E297-S301 WeakPolarHBondContact O-CB 3.23Å; E297-S301 PolarHBondContact O-N 3.05Å |
| 298 | I | 90.7 | Very high | 88.9 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -54.8 | 177.6 | -68.5 | 167.4 | 0 | 0 | 0 | 111.2 | L219 L246 L250 P294 V295 E296 T300 S301 L302 | L219-I298 HydrophobicContact CD1-CD1 4.17Å; L219-I298 HydrophobicContact CD2-CD1 3.94Å; L246-I298 HydrophobicContact CD1-CD1 3.93Å; L246-I298 HydrophobicContact CD1-CG1 4.06Å; L246-I298 HydrophobicContact CD1-CG2 3.71Å; L246-I298 HydrophobicContact CD2-CG2 3.85Å; L246-I298 HydrophobicContact CG-CG2 3.75Å; L250-I298 HydrophobicContact CD1-CG2 3.85Å; L250-I298 HydrophobicContact CD2-CB 4.1Å; L250-I298 HydrophobicContact CD2-CD1 4.16Å; L250-I298 HydrophobicContact CD2-CG2 3.75Å; L250-I298 HydrophobicContact CG-CG2 3.93Å; P294-I298 WeakPolarHBondContact O-CD1 3.47Å; P294-I298 VanDerWaalsContact O-CG1 3.24Å; P294-I298 WeakPolarHBondContact O-CG1 3.39Å; P294-I298 PolarHBondContact O-N 3.37Å; P294-I298 VanDerWaalsContact O-N 3.12Å; V295-I298 PolarHBondContact O-N 3Å; E296-I298 VanDerWaalsContact C-N 3.27Å; E296-I298 PolarHBondContact O-N 2.97Å; I298-T300 VanDerWaalsContact C-N 3.35Å; I298-T300 PolarHBondContact O-N 3.4Å; I298-S301 PolarHBondContact O-N 2.76Å; I298-L302 HydrophobicContact CG2-CD1 4.05Å; I298-L302 HydrophobicContact CG2-CG 4.42Å; I298-L302 WeakPolarHBondContact O-CB 3.44Å; I298-L302 WeakPolarHBondContact O-CG 3.48Å; I298-L302 PolarHBondContact O-N 3.12Å |
| 299 | L | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | -175.1 | -70 | 179 | 0 | 0 | 0 | 111.7 | L250 V295 E296 L302 L303 I322 L323 I333 W335 | L250-L299 HydrophobicContact CD1-CD2 3.9Å; L250-L299 HydrophobicContact CD2-CD2 4.41Å; L250-L299 HydrophobicContact CD2-CG 4.41Å; V295-L299 HydrophobicContact CG1-CD1 3.9Å; V295-L299 HydrophobicContact CG1-CG 4.33Å; V295-L299 WeakPolarHBondContact O-CB 3.26Å; V295-L299 WeakPolarHBondContact O-CG 3.31Å; V295-L299 PolarHBondContact O-N 3.3Å; E296-L299 PolarHBondContact O-N 3.48Å; L299-L302 PolarHBondContact O-N 3.22Å; L299-L303 VanDerWaalsContact O-CB 3.31Å; L299-L303 WeakPolarHBondContact O-CB 3.43Å; L299-L303 PolarHBondContact O-N 3.41Å; L299-I322 HydrophobicContact CD2-CG2 4.09Å; L299-L323 HydrophobicContact CD2-CD2 4.49Å; L299-I333 HydrophobicContact CD1-CD1 3.58Å; L299-W335 HydrophobicContact CD1-CE3 4Å; L299-W335 HydrophobicContact CD1-CZ3 3.97Å |
| 300 | T | 89.7 | Confident | 88.7 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -40.5 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | E296 I298 L302 L303 R304 I342 | E296-T300 VanDerWaalsContact O-CB 3.31Å; E296-T300 WeakPolarHBondContact O-CB 2.95Å; E296-T300 PolarHBondContact O-N 2.89Å; E296-T300 PolarHBondContact O-OG1 3.42Å; E296-T300 VanDerWaalsContact O-OG1 3.06Å; I298-T300 VanDerWaalsContact C-N 3.35Å; I298-T300 PolarHBondContact O-N 3.4Å; T300-L302 VanDerWaalsContact C-N 3.31Å; T300-L302 PolarHBondContact O-N 3.47Å; T300-L303 PolarHBondContact O-N 3.14Å; T300-R304 WeakPolarHBondContact O-CG 3.47Å; T300-R304 PolarHBondContact O-N 2.98Å; T300-I342 HydrophobicContact CG2-CD1 3.92Å |
| 301 | S | 89.2 | Confident | 88.7 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 175.1 | -177 | 0 | 0 | 0 | 0 | 111.9 | E297 I298 S305 | E297-S301 WeakPolarHBondContact O-CB 3.23Å; E297-S301 PolarHBondContact O-N 3.05Å; I298-S301 PolarHBondContact O-N 2.76Å; S301-S305 PolarHBondContact O-N 2.89Å |
| 302 | L | 91.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.5 | -46.7 | 176.3 | -77.1 | -177.2 | 0 | 0 | 0 | 111.3 | I231 L246 L250 I298 L299 T300 R304 S305 V306 I319 I322 | I231-L302 HydrophobicContact CD1-CD2 3.7Å; L246-L302 HydrophobicContact CD2-CD1 3.9Å; L246-L302 HydrophobicContact CD2-CD2 3.81Å; L246-L302 HydrophobicContact CD2-CG 4Å; L250-L302 HydrophobicContact CD1-CD1 4.44Å; I298-L302 HydrophobicContact CG2-CD1 4.05Å; I298-L302 HydrophobicContact CG2-CG 4.42Å; I298-L302 WeakPolarHBondContact O-CB 3.44Å; I298-L302 WeakPolarHBondContact O-CG 3.48Å; I298-L302 PolarHBondContact O-N 3.12Å; L299-L302 PolarHBondContact O-N 3.22Å; T300-L302 VanDerWaalsContact C-N 3.31Å; T300-L302 PolarHBondContact O-N 3.47Å; L302-R304 PolarHBondContact O-N 3.45Å; L302-S305 WeakPolarHBondContact O-CB 3.47Å; L302-S305 PolarHBondContact O-N 3.27Å; L302-S305 PolarHBondContact O-OG 3.33Å; L302-V306 WeakPolarHBondContact O-CG2 3.15Å; L302-V306 PolarHBondContact O-N 2.86Å; L302-I319 HydrophobicContact CB-CG2 3.9Å; L302-I319 HydrophobicContact CD2-CD1 3.87Å; L302-I319 HydrophobicContact CD2-CG1 3.94Å; L302-I319 HydrophobicContact CD2-CG2 4.21Å; L302-I322 HydrophobicContact CD1-CD1 4.19Å; L302-I322 HydrophobicContact CD1-CG2 3.93Å |
| 303 | L | 90.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 179.3 | -175.9 | 64.4 | 0 | 0 | 0 | 112.7 | L299 T300 S305 V306 L323 I339 V345 L349 | L299-L303 VanDerWaalsContact O-CB 3.31Å; L299-L303 WeakPolarHBondContact O-CB 3.43Å; L299-L303 PolarHBondContact O-N 3.41Å; T300-L303 PolarHBondContact O-N 3.14Å; L303-S305 PolarHBondContact O-N 3.1Å; L303-V306 WeakPolarHBondContact O-CG2 3.29Å; L303-V306 PolarHBondContact O-N 3.31Å; L303-L323 HydrophobicContact CB-CD1 4.35Å; L303-L323 HydrophobicContact CB-CD2 4.11Å; L303-L323 HydrophobicContact CD1-CD1 3.66Å; L303-L323 HydrophobicContact CD1-CD2 4.32Å; L303-I339 HydrophobicContact CD2-CB 4.46Å; L303-I339 HydrophobicContact CD2-CG1 4.34Å; L303-I339 HydrophobicContact CD2-CG2 3.41Å; L303-I339 VanDerWaalsContact CD2-CG2 3.41Å; L303-V345 HydrophobicContact CD1-CG1 4.14Å; L303-V345 HydrophobicContact CD2-CB 4.28Å; L303-V345 HydrophobicContact CD2-CG1 3.66Å; L303-V345 HydrophobicContact CD2-CG2 3.55Å; L303-V345 HydrophobicContact CG-CG1 4.16Å; L303-V345 HydrophobicContact CG-CG2 4.15Å; L303-L349 HydrophobicContact CD1-CD2 4.44Å |
| 304 | R | 88.8 | Confident | 88.2 | Confident | 159 Ų | 159 | 47.1 Ų | 47.1 | 60% | 0.6 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.3 | 175.7 | -70.7 | -178.8 | -179.5 | 133 | 4.3 | 113.9 | T300 L302 | T300-R304 WeakPolarHBondContact O-CG 3.47Å; T300-R304 PolarHBondContact O-N 2.98Å; L302-R304 PolarHBondContact O-N 3.45Å |
| 305 | S | 89.1 | Confident | 88.2 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -13.8 | 178.8 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | S301 L302 L303 N307 S308 | S301-S305 PolarHBondContact O-N 2.89Å; L302-S305 WeakPolarHBondContact O-CB 3.47Å; L302-S305 PolarHBondContact O-N 3.27Å; L302-S305 PolarHBondContact O-OG 3.33Å; L303-S305 PolarHBondContact O-N 3.1Å; S305-N307 PolarHBondContact O-N 3.42Å; S305-S308 WeakPolarHBondContact O-CB 3.46Å; S305-S308 PolarHBondContact O-N 3.15Å; S305-S308 VanDerWaalsContact O-N 3.11Å |
| 306 | V | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -43.1 | -170.6 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | L302 L303 S308 R316 I319 L320 L323 V352 | L302-V306 WeakPolarHBondContact O-CG2 3.15Å; L302-V306 PolarHBondContact O-N 2.86Å; L303-V306 WeakPolarHBondContact O-CG2 3.29Å; L303-V306 PolarHBondContact O-N 3.31Å; V306-S308 PolarHBondContact O-N 2.98Å; V306-R316 HydrophobicContact CG1-CG 3.9Å; V306-R316 VanDerWaalsContact O-CD 3.25Å; V306-R316 WeakPolarHBondContact O-CD 3.45Å; V306-R316 PolarHBondContact O-NE 3.2Å; V306-I319 HydrophobicContact CG2-CG2 3.81Å; V306-L320 HydrophobicContact CG1-CD1 4.35Å; V306-L320 HydrophobicContact CG1-CD2 3.61Å; V306-L320 HydrophobicContact CG1-CG 3.94Å; V306-L320 HydrophobicContact CG2-CD2 4.31Å; V306-L323 HydrophobicContact CG2-CD1 3.88Å; V306-V352 HydrophobicContact CG1-CG2 3.69Å |
| 307 | N | 88 | Confident | 88.2 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 7.5 | 178.6 | 68.8 | -20.2 | 0 | 0 | 0 | 113.8 | S305 Y309 S348 E351 V352 L395 | S305-N307 PolarHBondContact O-N 3.42Å; N307-Y309 PolarHBondContact O-N 2.91Å; N307-S348 PolarHBondContact ND2-OG 3.11Å; N307-E351 PolarHBondContact ND2-OE2 3.2Å; N307-V352 HydrophobicContact CB-CG2 4.27Å; N307-L395 VanDerWaalsContact O-CD1 3.31Å; N307-L395 WeakPolarHBondContact O-CD1 3.31Å |
| 308 | S | 86.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 40 Ų | 40 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | trans | -71.1 | 130.1 | 178.2 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | S305 V306 R310 L311 R316 | S305-S308 WeakPolarHBondContact O-CB 3.46Å; S305-S308 PolarHBondContact O-N 3.15Å; S305-S308 VanDerWaalsContact O-N 3.11Å; V306-S308 PolarHBondContact O-N 2.98Å; S308-R310 PolarHBondContact O-N 3.34Å; S308-R310 PolarHBondContact OG-N 3.12Å; S308-L311 WeakPolarHBondContact O-CB 3.25Å; S308-L311 PolarHBondContact O-N 3.14Å; S308-R316 PolarHBondContact O-NH2 2.87Å | ||
| 309 | Y | 83.2 | Confident | 88.3 | Confident | 92 Ų | 92 | 39.3 Ų | 39.3 | 36% | 0.361 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.9 | 173.2 | -65.1 | -88.5 | 0 | 0 | 0 | 113.9 | N307 L311 I393 L395 | N307-Y309 PolarHBondContact O-N 2.91Å; Y309-L311 VanDerWaalsContact C-N 3.31Å; Y309-I393 HydrophobicContact CD1-CG2 3.75Å; Y309-I393 HydrophobicContact CE1-CG2 4.4Å; Y309-I393 HydrophobicContact CG-CG2 4.06Å; Y309-L395 HydrophobicContact CD1-CB 4.18Å; Y309-L395 HydrophobicContact CD1-CD1 4.31Å; Y309-L395 HydrophobicContact CE1-CB 3.97Å; Y309-L395 HydrophobicContact CG-CD1 4.48Å |
| 310 | R | 82.5 | Confident | 88.4 | Confident | 162 Ų | 162 | 39.3 Ų | 39.3 | 61% | 0.611 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.5 | 179.3 | -64.6 | 177.8 | 64.6 | 169 | 5.8 | 113 | F232 S308 | F232-R310 HydrophobicContact CD1-CB 3.98Å; S308-R310 PolarHBondContact O-N 3.34Å; S308-R310 PolarHBondContact OG-N 3.12Å |
| 311 | L | 86.2 | Confident | 88.4 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -81.3 | 131.4 | -173.8 | -168.1 | 66.5 | 0 | 0 | 0 | 110.8 | I231 S308 Y309 T315 R316 I319 | I231-L311 HydrophobicContact CG2-CD1 3.59Å; S308-L311 WeakPolarHBondContact O-CB 3.25Å; S308-L311 PolarHBondContact O-N 3.14Å; Y309-L311 VanDerWaalsContact C-N 3.31Å; L311-T315 HydrophobicContact CD1-CG2 3.63Å; L311-T315 HydrophobicContact CG-CG2 4.43Å; L311-R316 HydrophobicContact CD2-CB 3.61Å; L311-R316 HydrophobicContact CD2-CG 3.99Å; L311-R316 HydrophobicContact CG-CB 4.2Å; L311-R316 PolarHBondContact O-NH2 2.88Å; L311-I319 HydrophobicContact CD1-CD1 4.21Å; L311-I319 HydrophobicContact CD2-CD1 3.95Å |
| 312 | C | 85.6 | Confident | 88.4 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | trans | -72.2 | 147 | 176.7 | 78.5 | 0 | 0 | 0 | 0 | 111.1 | P236 K314 T315 R316 | P236-C312 HydrophobicContact CB-CB 4.34Å; C312-K314 PolarHBondContact O-N 3.04Å; C312-T315 PolarHBondContact O-N 3.35Å; C312-T315 VanDerWaalsContact SG-CB 3.5Å; C312-T315 PolarHBondContact SG-OG1 3.11Å; C312-R316 PolarHBondContact O-N 3.17Å | ||
| 313 | P | 84.5 | Confident | 88.5 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 27% | 0.266 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -50.3 | -51.5 | -173.4 | -21.5 | 21.6 | 0 | 0 | 0 | 114 | T315 R316 D317 A396 T398 | P313-T315 VanDerWaalsContact C-N 3.28Å; P313-T315 PolarHBondContact O-N 3.11Å; P313-R316 WeakPolarHBondContact O-CB 3.34Å; P313-R316 PolarHBondContact O-N 3.03Å; P313-R316 VanDerWaalsContact O-N 3.08Å; P313-D317 PolarHBondContact O-N 2.92Å; P313-A396 WeakPolarHBondContact CA-O 3.38Å; P313-A396 WeakPolarHBondContact CB-O 3.48Å; P313-A396 HydrophobicContact CG-CB 3.85Å; P313-A396 WeakPolarHBondContact CG-O 3.35Å; P313-T398 HydrophobicContact CB-CG2 3.39Å |
| 314 | K | 86.3 | Confident | 88.4 | Confident | 151 Ų | 151 | 38 Ų | 38 | 66% | 0.657 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -62.9 | -30.7 | -179.5 | -66.7 | -175.1 | 177.8 | -179.9 | 0 | 113.9 | C312 Y318 | C312-K314 PolarHBondContact O-N 3.04Å; K314-Y318 WeakPolarHBondContact O-CB 3.49Å; K314-Y318 PolarHBondContact O-N 3Å |
| 315 | T | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.3 | -39.5 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | I231 S239 L240 C243 L311 C312 P313 D317 Y318 I319 | I231-T315 HydrophobicContact CG2-CG2 4.27Å; S239-T315 WeakPolarHBondContact OG-CG2 3.31Å; S239-T315 PolarHBondContact OG-OG1 2.76Å; L240-T315 PolarHBondContact N-OG1 3.08Å; C243-T315 HydrophobicContact CB-CG2 4.47Å; C243-T315 WeakPolarHBondContact SG-CG2 3.3Å; L311-T315 HydrophobicContact CD1-CG2 3.63Å; L311-T315 HydrophobicContact CG-CG2 4.43Å; C312-T315 PolarHBondContact O-N 3.35Å; C312-T315 VanDerWaalsContact SG-CB 3.5Å; C312-T315 PolarHBondContact SG-OG1 3.11Å; P313-T315 VanDerWaalsContact C-N 3.28Å; P313-T315 PolarHBondContact O-N 3.11Å; T315-D317 VanDerWaalsContact C-N 3.35Å; T315-D317 PolarHBondContact O-N 2.78Å; T315-Y318 PolarHBondContact O-N 2.9Å; T315-I319 HydrophobicContact CG2-CD1 4.1Å; T315-I319 HydrophobicContact CG2-CG1 4.37Å; T315-I319 VanDerWaalsContact O-CG1 3.29Å; T315-I319 WeakPolarHBondContact O-CG1 3.45Å; T315-I319 PolarHBondContact O-N 2.86Å |
| 316 | R | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.3 | -48.7 | 173.2 | -170 | 179.4 | -64.4 | 103.2 | 5.9 | 111.7 | V306 S308 L311 C312 P313 Y318 I319 L320 L395 A396 | V306-R316 HydrophobicContact CG1-CG 3.9Å; V306-R316 VanDerWaalsContact O-CD 3.25Å; V306-R316 WeakPolarHBondContact O-CD 3.45Å; V306-R316 PolarHBondContact O-NE 3.2Å; S308-R316 PolarHBondContact O-NH2 2.87Å; L311-R316 HydrophobicContact CD2-CB 3.61Å; L311-R316 HydrophobicContact CD2-CG 3.99Å; L311-R316 HydrophobicContact CG-CB 4.2Å; L311-R316 PolarHBondContact O-NH2 2.88Å; C312-R316 PolarHBondContact O-N 3.17Å; P313-R316 WeakPolarHBondContact O-CB 3.34Å; P313-R316 PolarHBondContact O-N 3.03Å; P313-R316 VanDerWaalsContact O-N 3.08Å; R316-Y318 VanDerWaalsContact C-N 3.32Å; R316-Y318 PolarHBondContact O-N 3.47Å; R316-I319 PolarHBondContact O-N 3.48Å; R316-L320 HydrophobicContact CG-CD1 4.2Å; R316-L320 WeakPolarHBondContact O-CG 3.44Å; R316-L320 PolarHBondContact O-N 2.77Å; R316-L395 VanDerWaalsContact NH2-CD1 3.27Å; R316-A396 PolarHBondContact NH1-O 2.84Å |
| 317 | D | 88.5 | Confident | 88.3 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 178.1 | -60.5 | -35.8 | 0 | 0 | 0 | 111.6 | P313 T315 I319 L320 E321 T398 T401 | P313-D317 PolarHBondContact O-N 2.92Å; T315-D317 VanDerWaalsContact C-N 3.35Å; T315-D317 PolarHBondContact O-N 2.78Å; D317-I319 VanDerWaalsContact C-N 3.3Å; D317-I319 PolarHBondContact O-N 3.32Å; D317-L320 WeakPolarHBondContact O-CB 3.43Å; D317-L320 PolarHBondContact O-N 3.11Å; D317-E321 WeakPolarHBondContact O-CB 3.31Å; D317-E321 VanDerWaalsContact O-CG 3.29Å; D317-E321 WeakPolarHBondContact O-CG 3.22Å; D317-E321 PolarHBondContact O-N 3.16Å; D317-T398 VanDerWaalsContact CG-OG1 3.27Å; D317-T398 PolarHBondContact OD1-OG1 3.3Å; D317-T398 VanDerWaalsContact OD2-CB 3.26Å; D317-T398 WeakPolarHBondContact OD2-CB 3.45Å; D317-T398 WeakPolarHBondContact OD2-CG2 3.23Å; D317-T398 PolarHBondContact OD2-OG1 3.01Å; D317-T401 WeakPolarHBondContact OD1-CA 3.29Å; D317-T401 WeakPolarHBondContact OD1-CB 3.23Å; D317-T401 PolarHBondContact OD1-OG1 3.48Å |
| 318 | Y | 90.4 | Very high | 88.3 | Confident | 34 Ų | 34 | 30.9 Ų | 30.9 | 13% | 0.133 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.6 | -34.8 | 178.4 | -164.5 | -98 | 0 | 0 | 0 | 112.5 | L240 C243 R244 N247 K314 T315 R316 E321 I322 L756 | L240-Y318 HydrophobicContact CD1-CD1 4.35Å; L240-Y318 HydrophobicContact CD1-CD2 4.26Å; L240-Y318 HydrophobicContact CD1-CG 3.82Å; C243-Y318 HydrophobicContact CB-CD1 3.57Å; C243-Y318 HydrophobicContact CB-CE1 4.04Å; R244-Y318 HydrophobicContact CB-CE1 4.38Å; R244-Y318 HydrophobicContact CG-CE1 3.86Å; R244-Y318 HydrophobicContact CG-CE2 4.2Å; N247-Y318 HydrophobicContact CB-CE1 4.19Å; N247-Y318 PolarHBondContact ND2-OH 3.47Å; K314-Y318 WeakPolarHBondContact O-CB 3.49Å; K314-Y318 PolarHBondContact O-N 3Å; T315-Y318 PolarHBondContact O-N 2.9Å; R316-Y318 VanDerWaalsContact C-N 3.32Å; R316-Y318 PolarHBondContact O-N 3.47Å; Y318-E321 WeakPolarHBondContact O-CB 3.49Å; Y318-E321 PolarHBondContact O-N 2.68Å; Y318-I322 HydrophobicContact CD1-CD1 3.89Å; Y318-I322 HydrophobicContact CD1-CG1 4.32Å; Y318-I322 HydrophobicContact CE1-CD1 3.8Å; Y318-I322 HydrophobicContact CE1-CG1 4.14Å; Y318-I322 WeakPolarHBondContact O-CG1 3.42Å; Y318-I322 PolarHBondContact O-N 2.83Å; Y318-L756 HydrophobicContact CE2-CD1 4Å |
| 319 | I | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.6 | -46.9 | 173.3 | -69 | 177.5 | 0 | 0 | 0 | 110.8 | I231 L302 V306 L311 T315 R316 D317 E321 I322 L323 | I231-I319 HydrophobicContact CG2-CD1 3.86Å; L302-I319 HydrophobicContact CB-CG2 3.9Å; L302-I319 HydrophobicContact CD2-CD1 3.87Å; L302-I319 HydrophobicContact CD2-CG1 3.94Å; L302-I319 HydrophobicContact CD2-CG2 4.21Å; V306-I319 HydrophobicContact CG2-CG2 3.81Å; L311-I319 HydrophobicContact CD1-CD1 4.21Å; L311-I319 HydrophobicContact CD2-CD1 3.95Å; T315-I319 HydrophobicContact CG2-CD1 4.1Å; T315-I319 HydrophobicContact CG2-CG1 4.37Å; T315-I319 VanDerWaalsContact O-CG1 3.29Å; T315-I319 WeakPolarHBondContact O-CG1 3.45Å; T315-I319 PolarHBondContact O-N 2.86Å; R316-I319 PolarHBondContact O-N 3.48Å; D317-I319 VanDerWaalsContact C-N 3.3Å; D317-I319 PolarHBondContact O-N 3.32Å; I319-E321 PolarHBondContact O-N 2.87Å; I319-I322 WeakPolarHBondContact O-CB 3.36Å; I319-I322 PolarHBondContact O-N 3.31Å; I319-I322 VanDerWaalsContact O-N 3.15Å; I319-L323 HydrophobicContact CG2-CD1 4.15Å; I319-L323 WeakPolarHBondContact O-CG 3.45Å; I319-L323 PolarHBondContact O-N 3.46Å |
| 320 | L | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.9 | -39.7 | 173.8 | -72.1 | 168.1 | 0 | 0 | 0 | 111 | V306 R316 D317 L323 V324 L349 V352 T401 T404 V405 L408 | V306-L320 HydrophobicContact CG1-CD1 4.35Å; V306-L320 HydrophobicContact CG1-CD2 3.61Å; V306-L320 HydrophobicContact CG1-CG 3.94Å; V306-L320 HydrophobicContact CG2-CD2 4.31Å; R316-L320 HydrophobicContact CG-CD1 4.2Å; R316-L320 WeakPolarHBondContact O-CG 3.44Å; R316-L320 PolarHBondContact O-N 2.77Å; D317-L320 WeakPolarHBondContact O-CB 3.43Å; D317-L320 PolarHBondContact O-N 3.11Å; L320-L323 WeakPolarHBondContact O-CB 3.1Å; L320-L323 PolarHBondContact O-N 2.85Å; L320-V324 WeakPolarHBondContact O-CG2 3.4Å; L320-V324 PolarHBondContact O-N 3.12Å; L320-L349 HydrophobicContact CD2-CD2 3.96Å; L320-V352 HydrophobicContact CD1-CG1 4.48Å; L320-T401 HydrophobicContact CD1-CG2 3.93Å; L320-T404 HydrophobicContact CB-CG2 3.54Å; L320-V405 HydrophobicContact CD1-CG2 3.63Å; L320-V405 HydrophobicContact CD2-CG2 4.02Å; L320-V405 HydrophobicContact CG-CG2 4.49Å; L320-L408 HydrophobicContact CD2-CD2 4.12Å |
| 321 | E | 88.7 | Confident | 87.2 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 175.7 | -75.8 | -176.7 | 175.4 | 0 | 0 | 113.5 | D317 Y318 I319 L323 R325 T404 K680 L756 V757 | D317-E321 WeakPolarHBondContact O-CB 3.31Å; D317-E321 VanDerWaalsContact O-CG 3.29Å; D317-E321 WeakPolarHBondContact O-CG 3.22Å; D317-E321 PolarHBondContact O-N 3.16Å; Y318-E321 WeakPolarHBondContact O-CB 3.49Å; Y318-E321 PolarHBondContact O-N 2.68Å; I319-E321 PolarHBondContact O-N 2.87Å; E321-L323 VanDerWaalsContact C-N 3.33Å; E321-R325 WeakPolarHBondContact O-CB 3.28Å; E321-R325 PolarHBondContact O-N 3.33Å; E321-R325 VanDerWaalsContact O-N 3.17Å; E321-T404 HydrophobicContact CG-CG2 3.96Å; E321-K680 IonicContact OE1-NZ 3.05Å; E321-K680 PolarHBondContact OE1-NZ 3.39Å; E321-L756 HydrophobicContact CB-CB 4.07Å; E321-L756 HydrophobicContact CB-CD1 4.27Å; E321-L756 HydrophobicContact CG-CB 4.44Å; E321-V757 HydrophobicContact CB-CG2 4Å; E321-V757 HydrophobicContact CG-CB 4.2Å; E321-V757 HydrophobicContact CG-CG2 3.81Å |
| 322 | I | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 170.9 | -69.6 | 167.5 | 0 | 0 | 0 | 109.6 | N247 L250 L299 L302 Y318 I319 R325 Y326 | N247-I322 HydrophobicContact CB-CD1 3.93Å; N247-I322 HydrophobicContact CB-CG1 4.08Å; L250-I322 HydrophobicContact CD1-CG2 3.65Å; L299-I322 HydrophobicContact CD2-CG2 4.09Å; L302-I322 HydrophobicContact CD1-CD1 4.19Å; L302-I322 HydrophobicContact CD1-CG2 3.93Å; Y318-I322 HydrophobicContact CD1-CD1 3.89Å; Y318-I322 HydrophobicContact CD1-CG1 4.32Å; Y318-I322 HydrophobicContact CE1-CD1 3.8Å; Y318-I322 HydrophobicContact CE1-CG1 4.14Å; Y318-I322 WeakPolarHBondContact O-CG1 3.42Å; Y318-I322 PolarHBondContact O-N 2.83Å; I319-I322 WeakPolarHBondContact O-CB 3.36Å; I319-I322 PolarHBondContact O-N 3.31Å; I319-I322 VanDerWaalsContact O-N 3.15Å; I322-R325 PolarHBondContact O-N 3.46Å; I322-Y326 HydrophobicContact CG2-CD2 3.71Å; I322-Y326 HydrophobicContact CG2-CE2 4Å; I322-Y326 VanDerWaalsContact O-CD2 3.25Å; I322-Y326 WeakPolarHBondContact O-CD2 3.27Å; I322-Y326 PolarHBondContact O-N 3.09Å |
| 323 | L | 92.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | -177.5 | -67.1 | 167.1 | 0 | 0 | 0 | 111.7 | L299 L303 V306 I319 L320 E321 R325 Y326 V327 L408 | L299-L323 HydrophobicContact CD2-CD2 4.49Å; L303-L323 HydrophobicContact CB-CD1 4.35Å; L303-L323 HydrophobicContact CB-CD2 4.11Å; L303-L323 HydrophobicContact CD1-CD1 3.66Å; L303-L323 HydrophobicContact CD1-CD2 4.32Å; V306-L323 HydrophobicContact CG2-CD1 3.88Å; I319-L323 HydrophobicContact CG2-CD1 4.15Å; I319-L323 WeakPolarHBondContact O-CG 3.45Å; I319-L323 PolarHBondContact O-N 3.46Å; L320-L323 WeakPolarHBondContact O-CB 3.1Å; L320-L323 PolarHBondContact O-N 2.85Å; E321-L323 VanDerWaalsContact C-N 3.33Å; L323-R325 PolarHBondContact O-N 3.46Å; L323-Y326 PolarHBondContact O-N 3.02Å; L323-V327 HydrophobicContact CB-CG2 4.31Å; L323-V327 HydrophobicContact CD2-CG2 4.02Å; L323-V327 WeakPolarHBondContact O-CB 3.29Å; L323-V327 VanDerWaalsContact O-CG2 3.24Å; L323-V327 WeakPolarHBondContact O-CG2 3.41Å; L323-V327 PolarHBondContact O-N 3.34Å; L323-L408 HydrophobicContact CB-CD1 4.14Å; L323-L408 HydrophobicContact CB-CD2 3.91Å; L323-L408 HydrophobicContact CD1-CD2 4.17Å |
| 324 | V | 88.8 | Confident | 87 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 9% | 0.085 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.1 | -30.9 | 177.3 | 175 | 0 | 0 | 0 | 0 | 112.2 | L320 P328 T404 L408 V757 | L320-V324 WeakPolarHBondContact O-CG2 3.4Å; L320-V324 PolarHBondContact O-N 3.12Å; V324-P328 WeakPolarHBondContact O-CD 3.39Å; V324-P328 VanDerWaalsContact O-CG 3.24Å; V324-P328 WeakPolarHBondContact O-CG 3.38Å; V324-T404 HydrophobicContact CG2-CG2 4.5Å; V324-L408 HydrophobicContact CG2-CB 3.56Å; V324-L408 HydrophobicContact CG2-CD1 3.94Å; V324-L408 HydrophobicContact CG2-CG 4.24Å; V324-V757 HydrophobicContact CB-CB 4.48Å; V324-V757 HydrophobicContact CB-CG1 4.2Å; V324-V757 HydrophobicContact CB-CG2 3.45Å; V324-V757 VanDerWaalsContact CB-CG2 3.45Å; V324-V757 HydrophobicContact CG1-CB 4.22Å; V324-V757 HydrophobicContact CG1-CG1 3.77Å; V324-V757 HydrophobicContact CG1-CG2 3.52Å; V324-V757 HydrophobicContact CG2-CG1 4.08Å; V324-V757 HydrophobicContact CG2-CG2 4Å |
| 325 | R | 86.5 | Confident | 87.2 | Confident | 53 Ų | 53 | 22 Ų | 22 | 20% | 0.2 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -74.6 | -47.5 | 178.7 | 177.4 | 172.5 | -175.6 | -178 | -1.2 | 113.2 | E251 E321 I322 L323 G332 L756 | E251-R325 IonicContact OE2-CZ 2.73Å; E251-R325 IonicContact OE2-NH1 3.55Å; E251-R325 IonicContact OE2-NH2 3.03Å; E251-R325 PolarHBondContact OE2-NH2 2.81Å; E321-R325 WeakPolarHBondContact O-CB 3.28Å; E321-R325 PolarHBondContact O-N 3.33Å; E321-R325 VanDerWaalsContact O-N 3.17Å; I322-R325 PolarHBondContact O-N 3.46Å; L323-R325 PolarHBondContact O-N 3.46Å; R325-G332 VanDerWaalsContact O-CA 3.28Å; R325-G332 WeakPolarHBondContact O-CA 3.47Å; R325-L756 VanDerWaalsContact CD-CD2 3.41Å; R325-L756 VanDerWaalsContact NH1-CD2 3.3Å |
| 326 | Y | 89.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -95.1 | -32.2 | -169.9 | -67.5 | -76 | 0 | 0 | 0 | 113.3 | N247 L250 E251 T254 L256 I322 L323 G332 I333 | N247-Y326 PolarHBondContact O-OH 3.47Å; N247-Y326 WeakPolarHBondContact OD1-CE2 3.43Å; N247-Y326 PolarHBondContact OD1-OH 3.21Å; L250-Y326 HydrophobicContact CB-CE1 4.32Å; L250-Y326 HydrophobicContact CB-CE2 3.99Å; L250-Y326 HydrophobicContact CD1-CD2 4.24Å; L250-Y326 HydrophobicContact CD1-CE2 4.12Å; E251-Y326 WeakPolarHBondContact CA-OH 3.27Å; E251-Y326 PolarHBondContact N-OH 3.37Å; E251-Y326 PolarHBondContact OE2-OH 2.91Å; T254-Y326 HydrophobicContact CG2-CD1 4.2Å; T254-Y326 HydrophobicContact CG2-CE1 4.32Å; T254-Y326 WeakPolarHBondContact OG1-CE1 3.29Å; L256-Y326 HydrophobicContact CD2-CD1 3.88Å; L256-Y326 HydrophobicContact CD2-CE1 4.05Å; I322-Y326 HydrophobicContact CG2-CD2 3.71Å; I322-Y326 HydrophobicContact CG2-CE2 4Å; I322-Y326 VanDerWaalsContact O-CD2 3.25Å; I322-Y326 WeakPolarHBondContact O-CD2 3.27Å; I322-Y326 PolarHBondContact O-N 3.09Å; L323-Y326 PolarHBondContact O-N 3.02Å; Y326-G332 CarbonylContact O-C 3.58Å; Y326-G332 WeakPolarHBondContact O-CA 3.45Å; Y326-I333 WeakPolarHBondContact O-CG1 3.41Å; Y326-I333 PolarHBondContact O-N 2.65Å |
| 327 | V | 89.9 | Confident | 86.9 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -69.7 | -46.3 | -173.4 | 174.1 | 0 | 0 | 0 | 0 | 113.3 | L323 G334 W335 S336 I339 | L323-V327 HydrophobicContact CB-CG2 4.31Å; L323-V327 HydrophobicContact CD2-CG2 4.02Å; L323-V327 WeakPolarHBondContact O-CB 3.29Å; L323-V327 VanDerWaalsContact O-CG2 3.24Å; L323-V327 WeakPolarHBondContact O-CG2 3.41Å; L323-V327 PolarHBondContact O-N 3.34Å; V327-G334 CarbonylContact O-C 3.52Å; V327-G334 PolarHBondContact O-N 3.34Å; V327-W335 PolarHBondContact O-N 3.36Å; V327-S336 PolarHBondContact O-N 3.38Å; V327-I339 HydrophobicContact CB-CD1 4Å; V327-I339 HydrophobicContact CG1-CB 4.5Å; V327-I339 HydrophobicContact CG1-CD1 3.51Å; V327-I339 HydrophobicContact CG2-CD1 3.3Å |
| 328 | P | 87.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -66.7 | 161.2 | -172.8 | -26 | 39.6 | 0 | 0 | 0 | 114.8 | V324 D330 G332 I333 G334 K411 D415 | V324-P328 WeakPolarHBondContact O-CD 3.39Å; V324-P328 VanDerWaalsContact O-CG 3.24Å; V324-P328 WeakPolarHBondContact O-CG 3.38Å; P328-D330 VanDerWaalsContact CB-OD1 3.31Å; P328-D330 WeakPolarHBondContact CB-OD1 3.28Å; P328-G332 CarbonylContact O-C 3.48Å; P328-G332 WeakPolarHBondContact O-CA 3.37Å; P328-G332 PolarHBondContact O-N 2.92Å; P328-G332 VanDerWaalsContact O-N 3.08Å; P328-I333 PolarHBondContact O-N 2.97Å; P328-G334 PolarHBondContact O-N 3.2Å; P328-G334 VanDerWaalsContact O-N 3.09Å; P328-K411 HydrophobicContact CB-CB 3.9Å; P328-K411 HydrophobicContact CB-CD 4.24Å; P328-K411 HydrophobicContact CB-CG 4.36Å; P328-K411 HydrophobicContact CG-CB 3.47Å; P328-K411 VanDerWaalsContact CG-CB 3.47Å; P328-K411 HydrophobicContact CG-CD 4.34Å; P328-K411 HydrophobicContact CG-CG 3.95Å; P328-D415 WeakPolarHBondContact CA-OD2 3.41Å |
| 329 | S | 82.1 | Confident | 86.6 | Confident | 73 Ų | 73 | 27.6 Ų | 27.6 | 51% | 0.51 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -20.3 | -178 | 80.5 | 0 | 0 | 0 | 0 | 114.7 | G334 D415 | S329-G334 VanDerWaalsContact CA-CA 3.49Å; S329-D415 VanDerWaalsContact CB-OD1 3.29Å; S329-D415 WeakPolarHBondContact CB-OD1 3.49Å; S329-D415 PolarHBondContact N-OD1 3.25Å; S329-D415 PolarHBondContact N-OD2 3.15Å; S329-D415 PolarHBondContact OG-OD1 3.46Å |
| 330 | D | 72.4 | Confident | 86.3 | Confident | 73 Ų | 73 | 28.7 Ų | 28.7 | 39% | 0.39 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -50.2 | -176.6 | 67.3 | -27.2 | 0 | 0 | 0 | 112.6 | P328 K411 | P328-D330 VanDerWaalsContact CB-OD1 3.31Å; P328-D330 WeakPolarHBondContact CB-OD1 3.28Å; D330-K411 IonicContact OD2-NZ 2.95Å; D330-K411 PolarHBondContact OD2-NZ 3.47Å |
| 331 | K | 74.3 | Confident | 86 | Confident | 99 Ų | 99 | 36.9 Ų | 36.9 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -20.1 | -178.2 | -68.7 | -170.3 | 177.2 | -172.5 | 0 | 112.9 | L256 H260 | L256-K331 WeakPolarHBondContact CD1-O 3.5Å; L256-K331 WeakPolarHBondContact CD2-O 3.5Å; H260-K331 PolarHBondContact NE2-O 2.94Å |
| 332 | G | 82.5 | Confident | 85.9 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -97.5 | -151.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R325 Y326 P328 | R325-G332 VanDerWaalsContact O-CA 3.28Å; R325-G332 WeakPolarHBondContact O-CA 3.47Å; Y326-G332 CarbonylContact O-C 3.58Å; Y326-G332 WeakPolarHBondContact O-CA 3.45Å; P328-G332 CarbonylContact O-C 3.48Å; P328-G332 WeakPolarHBondContact O-CA 3.37Å; P328-G332 PolarHBondContact O-N 2.92Å; P328-G332 VanDerWaalsContact O-N 3.08Å |
| 333 | I | 86.8 | Confident | 85.5 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | trans | -92.8 | -4.7 | -176.5 | 76.5 | -157.3 | 0 | 0 | 0 | 113.1 | T254 Y285 V295 L299 Y326 P328 W335 | T254-I333 HydrophobicContact CG2-CG2 4.04Å; Y285-I333 HydrophobicContact CD1-CB 4.47Å; Y285-I333 HydrophobicContact CD1-CG2 4.5Å; Y285-I333 HydrophobicContact CE1-CB 3.93Å; Y285-I333 HydrophobicContact CE1-CG2 3.66Å; V295-I333 HydrophobicContact CG1-CD1 4.13Å; L299-I333 HydrophobicContact CD1-CD1 3.58Å; Y326-I333 WeakPolarHBondContact O-CG1 3.41Å; Y326-I333 PolarHBondContact O-N 2.65Å; P328-I333 PolarHBondContact O-N 2.97Å; I333-W335 HydrophobicContact CD1-CB 4.31Å; I333-W335 HydrophobicContact CD1-CD2 3.43Å; I333-W335 VanDerWaalsContact CD1-CD2 3.43Å; I333-W335 HydrophobicContact CD1-CE3 3.41Å; I333-W335 VanDerWaalsContact CD1-CE3 3.41Å; I333-W335 HydrophobicContact CD1-CG 3.86Å; I333-W335 HydrophobicContact CD1-CH2 4.14Å; I333-W335 HydrophobicContact CD1-CZ2 4.19Å; I333-W335 HydrophobicContact CD1-CZ3 3.74Å; I333-W335 HydrophobicContact CG1-CB 3.97Å; I333-W335 HydrophobicContact CG1-CD2 3.69Å; I333-W335 HydrophobicContact CG1-CE3 4.18Å; I333-W335 HydrophobicContact CG1-CG 3.58Å | ||
| 334 | G | 84.2 | Confident | 85.2 | Confident | 35 Ų | 35 | 48 Ų | 48 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | trans | 73.7 | 41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V327 P328 S329 | V327-G334 CarbonylContact O-C 3.52Å; V327-G334 PolarHBondContact O-N 3.34Å; P328-G334 PolarHBondContact O-N 3.2Å; P328-G334 VanDerWaalsContact O-N 3.09Å; S329-G334 VanDerWaalsContact CA-CA 3.49Å | ||
| 335 | W | 89.2 | Confident | 85.2 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | trans | -102.4 | 9.1 | -178.2 | -79.6 | 8.9 | 0 | 0 | 0 | 115.1 | I287 E292 V295 E296 L299 V327 I333 Q337 K338 I339 | I287-W335 HydrophobicContact CD1-CH2 4.25Å; I287-W335 HydrophobicContact CD1-CZ2 4.03Å; I287-W335 HydrophobicContact CG2-CZ2 4.31Å; E292-W335 HydrophobicContact CG-CH2 4.16Å; E292-W335 HydrophobicContact CG-CZ2 3.59Å; E292-W335 WeakPolarHBondContact O-CH2 3.33Å; V295-W335 HydrophobicContact CB-CH2 4.06Å; V295-W335 HydrophobicContact CB-CZ3 4.42Å; V295-W335 HydrophobicContact CG1-CH2 3.81Å; V295-W335 HydrophobicContact CG1-CZ3 3.84Å; E296-W335 VanDerWaalsContact CA-CZ3 3.43Å; E296-W335 HydrophobicContact CB-CH2 3.82Å; E296-W335 HydrophobicContact CB-CZ3 3.77Å; E296-W335 HydrophobicContact CG-CZ3 4.48Å; L299-W335 HydrophobicContact CD1-CE3 4Å; L299-W335 HydrophobicContact CD1-CZ3 3.97Å; V327-W335 PolarHBondContact O-N 3.36Å; I333-W335 HydrophobicContact CD1-CB 4.31Å; I333-W335 HydrophobicContact CD1-CD2 3.43Å; I333-W335 VanDerWaalsContact CD1-CD2 3.43Å; I333-W335 HydrophobicContact CD1-CE3 3.41Å; I333-W335 VanDerWaalsContact CD1-CE3 3.41Å; I333-W335 HydrophobicContact CD1-CG 3.86Å; I333-W335 HydrophobicContact CD1-CH2 4.14Å; I333-W335 HydrophobicContact CD1-CZ2 4.19Å; I333-W335 HydrophobicContact CD1-CZ3 3.74Å; I333-W335 HydrophobicContact CG1-CB 3.97Å; I333-W335 HydrophobicContact CG1-CD2 3.69Å; I333-W335 HydrophobicContact CG1-CE3 4.18Å; I333-W335 HydrophobicContact CG1-CG 3.58Å; W335-Q337 PolarHBondContact O-N 3.32Å; W335-K338 HydrophobicContact CB-CB 4.32Å; W335-K338 HydrophobicContact CD2-CD 4.21Å; W335-K338 HydrophobicContact CG-CB 4.46Å; W335-K338 HydrophobicContact CG-CD 4.36Å; W335-K338 WeakPolarHBondContact O-CA 3.39Å; W335-K338 WeakPolarHBondContact O-CB 3.46Å; W335-K338 PolarHBondContact O-N 2.92Å; W335-I339 HydrophobicContact CB-CD1 4.46Å; W335-I339 PolarHBondContact O-N 3.18Å | ||
| 336 | S | 87.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -50 | -43.4 | 175.7 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | V327 K338 I339 F340 D415 | V327-S336 PolarHBondContact O-N 3.38Å; S336-K338 PolarHBondContact O-N 3.03Å; S336-I339 PolarHBondContact O-N 2.97Å; S336-F340 WeakPolarHBondContact O-CB 3.18Å; S336-F340 PolarHBondContact O-N 3.25Å; S336-D415 VanDerWaalsContact CB-CB 3.47Å; S336-D415 VanDerWaalsContact CB-OD2 3.26Å; S336-D415 WeakPolarHBondContact CB-OD2 3.38Å; S336-D415 PolarHBondContact OG-OD2 3.32Å |
| 337 | Q | 87.2 | Confident | 85.5 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 43% | 0.425 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.6 | -32.7 | 176 | -66.3 | -175 | 0.2 | 0 | 0 | 113.9 | W335 K341 L416 T417 | W335-Q337 PolarHBondContact O-N 3.32Å; Q337-K341 WeakPolarHBondContact O-CG 3.35Å; Q337-L416 HydrophobicContact CG-CD2 4.33Å; Q337-T417 PolarHBondContact NE2-OG1 3.36Å |
| 338 | K | 86.3 | Confident | 85.6 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.5 | -40.4 | 179.3 | -169 | 173.6 | -177 | -178.7 | 0 | 110.5 | E292 E296 W335 S336 | E292-K338 IonicContact OE1-NZ 3.53Å; E292-K338 PolarHBondContact OE1-NZ 2.88Å; E296-K338 WeakPolarHBondContact OE1-CE 3.4Å; E296-K338 IonicContact OE1-NZ 2.7Å; E296-K338 PolarHBondContact OE1-NZ 3.09Å; E296-K338 WeakPolarHBondContact OE2-CE 3.39Å; E296-K338 IonicContact OE2-NZ 3.21Å; E296-K338 PolarHBondContact OE2-NZ 2.98Å; W335-K338 HydrophobicContact CB-CB 4.32Å; W335-K338 HydrophobicContact CD2-CD 4.21Å; W335-K338 HydrophobicContact CG-CB 4.46Å; W335-K338 HydrophobicContact CG-CD 4.36Å; W335-K338 WeakPolarHBondContact O-CA 3.39Å; W335-K338 WeakPolarHBondContact O-CB 3.46Å; W335-K338 PolarHBondContact O-N 2.92Å; S336-K338 PolarHBondContact O-N 3.03Å |
| 339 | I | 86.6 | Confident | 85.8 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.4 | -39.2 | 178.1 | -78.7 | 167.8 | 0 | 0 | 0 | 111.9 | L303 V327 W335 S336 K341 I342 V345 | L303-I339 HydrophobicContact CD2-CB 4.46Å; L303-I339 HydrophobicContact CD2-CG1 4.34Å; L303-I339 HydrophobicContact CD2-CG2 3.41Å; L303-I339 VanDerWaalsContact CD2-CG2 3.41Å; V327-I339 HydrophobicContact CB-CD1 4Å; V327-I339 HydrophobicContact CG1-CB 4.5Å; V327-I339 HydrophobicContact CG1-CD1 3.51Å; V327-I339 HydrophobicContact CG2-CD1 3.3Å; W335-I339 HydrophobicContact CB-CD1 4.46Å; W335-I339 PolarHBondContact O-N 3.18Å; S336-I339 PolarHBondContact O-N 2.97Å; I339-K341 PolarHBondContact O-N 3.01Å; I339-I342 HydrophobicContact CG1-CD1 4.42Å; I339-I342 WeakPolarHBondContact O-CB 3.48Å; I339-I342 PolarHBondContact O-N 3.22Å; I339-V345 HydrophobicContact CG2-CG1 3.88Å |
| 340 | F | 87.3 | Confident | 86.3 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 10% | 0.101 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.1 | -31.3 | 175.7 | 176.8 | -110.5 | 0 | 0 | 0 | 112.8 | S336 I342 I346 L416 E424 Y425 I428 | S336-F340 WeakPolarHBondContact O-CB 3.18Å; S336-F340 PolarHBondContact O-N 3.25Å; F340-I342 PolarHBondContact O-N 3.01Å; F340-I346 HydrophobicContact CD2-CD1 4.37Å; F340-I346 HydrophobicContact CD2-CG1 4.1Å; F340-I346 HydrophobicContact CE2-CG1 4.26Å; F340-L416 HydrophobicContact CB-CD2 4.35Å; F340-L416 HydrophobicContact CD1-CD2 4.12Å; F340-L416 HydrophobicContact CG-CD2 4.18Å; F340-E424 HydrophobicContact CE1-CB 4.41Å; F340-E424 HydrophobicContact CE1-CG 4.31Å; F340-E424 HydrophobicContact CZ-CB 3.98Å; F340-E424 HydrophobicContact CZ-CG 3.84Å; F340-Y425 HydrophobicContact CD2-CD2 4.03Å; F340-Y425 AromaticContact CE2-CD2 3.8Å; F340-Y425 HydrophobicContact CE2-CD2 3.8Å; F340-Y425 HydrophobicContact CE2-CG 4.26Å; F340-I428 HydrophobicContact CE2-CD1 4.09Å; F340-I428 HydrophobicContact CZ-CD1 4.34Å |
| 341 | K | 86.3 | Confident | 87.1 | Confident | 171 Ų | 171 | 44 Ų | 44 | 74% | 0.743 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -11.9 | 175.8 | -71.4 | 174.7 | -177.4 | -178.2 | 0 | 114.3 | Q337 I339 E343 | Q337-K341 WeakPolarHBondContact O-CG 3.35Å; I339-K341 PolarHBondContact O-N 3.01Å; K341-E343 PolarHBondContact O-N 2.71Å |
| 342 | I | 86.9 | Confident | 87.8 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 18% | 0.179 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -80.1 | 117.4 | 177.1 | -55.9 | 174.4 | 0 | 0 | 0 | 107.4 | T300 I339 F340 V345 | T300-I342 HydrophobicContact CG2-CD1 3.92Å; I339-I342 HydrophobicContact CG1-CD1 4.42Å; I339-I342 WeakPolarHBondContact O-CB 3.48Å; I339-I342 PolarHBondContact O-N 3.22Å; F340-I342 PolarHBondContact O-N 3.01Å; I342-V345 HydrophobicContact CB-CG2 3.6Å; I342-V345 HydrophobicContact CG2-CG2 3.63Å; I342-V345 WeakPolarHBondContact O-CB 3.27Å; I342-V345 WeakPolarHBondContact O-CG2 3.42Å; I342-V345 PolarHBondContact O-N 3.46Å |
| 343 | E | 82.2 | Confident | 88.1 | Confident | 192 Ų | 192 | 39.1 Ų | 39.1 | 90% | 0.897 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 138.1 | -179.6 | -169.7 | 178 | -178.8 | 0 | 0 | 112.2 | K341 V345 | K341-E343 PolarHBondContact O-N 2.71Å; E343-V345 PolarHBondContact O-N 3.35Å |
| 344 | G | 85.8 | Confident | 88.2 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 2.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | D347 S348 | G344-D347 WeakPolarHBondContact CA-OD2 3.44Å; G344-S348 WeakPolarHBondContact O-CB 3.37Å; G344-S348 PolarHBondContact O-N 3.22Å; G344-S348 PolarHBondContact O-OG 3.48Å |
| 345 | V | 88.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66 | -47.4 | -179.9 | 160.4 | 0 | 0 | 0 | 0 | 112 | L303 I339 I342 E343 D347 S348 L349 | L303-V345 HydrophobicContact CD1-CG1 4.14Å; L303-V345 HydrophobicContact CD2-CB 4.28Å; L303-V345 HydrophobicContact CD2-CG1 3.66Å; L303-V345 HydrophobicContact CD2-CG2 3.55Å; L303-V345 HydrophobicContact CG-CG1 4.16Å; L303-V345 HydrophobicContact CG-CG2 4.15Å; I339-V345 HydrophobicContact CG2-CG1 3.88Å; I342-V345 HydrophobicContact CB-CG2 3.6Å; I342-V345 HydrophobicContact CG2-CG2 3.63Å; I342-V345 WeakPolarHBondContact O-CB 3.27Å; I342-V345 WeakPolarHBondContact O-CG2 3.42Å; I342-V345 PolarHBondContact O-N 3.46Å; E343-V345 PolarHBondContact O-N 3.35Å; V345-D347 VanDerWaalsContact C-N 3.33Å; V345-S348 WeakPolarHBondContact O-CB 3.28Å; V345-S348 PolarHBondContact O-N 2.99Å; V345-L349 WeakPolarHBondContact O-CG 3.47Å; V345-L349 PolarHBondContact O-N 3.27Å; V345-L349 VanDerWaalsContact O-N 3.11Å |
| 346 | I | 91.6 | Very high | 87.8 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 179.8 | -60 | -54.7 | 0 | 0 | 0 | 109.1 | F340 S348 L349 L350 L409 Y425 I428 | F340-I346 HydrophobicContact CD2-CD1 4.37Å; F340-I346 HydrophobicContact CD2-CG1 4.1Å; F340-I346 HydrophobicContact CE2-CG1 4.26Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 3.26Å; I346-L349 WeakPolarHBondContact O-CB 3.49Å; I346-L349 PolarHBondContact O-N 3.38Å; I346-L350 HydrophobicContact CG2-CD1 3.96Å; I346-L350 HydrophobicContact CG2-CG 4.16Å; I346-L350 VanDerWaalsContact O-CG 3.3Å; I346-L350 WeakPolarHBondContact O-CG 3.48Å; I346-L350 PolarHBondContact O-N 3.41Å; I346-L409 HydrophobicContact CD1-CD2 4.36Å; I346-Y425 HydrophobicContact CD1-CD2 4.03Å; I346-Y425 HydrophobicContact CD1-CE2 3.58Å; I346-Y425 HydrophobicContact CG1-CD2 4.26Å; I346-Y425 HydrophobicContact CG1-CE2 4.2Å; I346-I428 HydrophobicContact CB-CG2 4Å; I346-I428 HydrophobicContact CG2-CG2 3.86Å |
| 347 | D | 91 | Very high | 86.9 | Confident | 54 Ų | 54 | 38.1 Ų | 38.1 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.8 | -46.2 | 173.8 | -53.3 | -91.4 | 0 | 0 | 0 | 112.1 | G344 V345 L349 L350 E351 | G344-D347 WeakPolarHBondContact CA-OD2 3.44Å; V345-D347 VanDerWaalsContact C-N 3.33Å; D347-L349 VanDerWaalsContact C-N 3.27Å; D347-L349 PolarHBondContact O-N 2.87Å; D347-L350 CarbonylContact O-C 3.59Å; D347-L350 PolarHBondContact O-N 3.47Å; D347-L350 VanDerWaalsContact O-N 3.11Å; D347-E351 WeakPolarHBondContact O-CG 3.44Å; D347-E351 PolarHBondContact O-N 3.04Å |
| 348 | S | 90.1 | Very high | 86.1 | Confident | 22 Ų | 22 | 34.4 Ų | 34.4 | 15% | 0.154 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -36 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | N307 G344 V345 I346 V352 | N307-S348 PolarHBondContact ND2-OG 3.11Å; G344-S348 WeakPolarHBondContact O-CB 3.37Å; G344-S348 PolarHBondContact O-N 3.22Å; G344-S348 PolarHBondContact O-OG 3.48Å; V345-S348 WeakPolarHBondContact O-CB 3.28Å; V345-S348 PolarHBondContact O-N 2.99Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 3.26Å; S348-V352 WeakPolarHBondContact O-CG2 3.4Å; S348-V352 PolarHBondContact O-N 2.92Å |
| 349 | L | 92.9 | Very high | 85 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.2 | -38.2 | 175.3 | -66.3 | 177.3 | 0 | 0 | 0 | 111.7 | L303 L320 V345 I346 D347 V352 A353 V405 L408 L409 I412 | L303-L349 HydrophobicContact CD1-CD2 4.44Å; L320-L349 HydrophobicContact CD2-CD2 3.96Å; V345-L349 WeakPolarHBondContact O-CG 3.47Å; V345-L349 PolarHBondContact O-N 3.27Å; V345-L349 VanDerWaalsContact O-N 3.11Å; I346-L349 WeakPolarHBondContact O-CB 3.49Å; I346-L349 PolarHBondContact O-N 3.38Å; D347-L349 VanDerWaalsContact C-N 3.27Å; D347-L349 PolarHBondContact O-N 2.87Å; L349-V352 PolarHBondContact O-N 2.96Å; L349-A353 PolarHBondContact O-N 3.27Å; L349-V405 HydrophobicContact CB-CG1 4.36Å; L349-L408 HydrophobicContact CD1-CD2 3.9Å; L349-L408 HydrophobicContact CD1-CG 4.21Å; L349-L408 HydrophobicContact CD2-CD2 3.82Å; L349-L409 HydrophobicContact CB-CD2 3.95Å; L349-L409 HydrophobicContact CD1-CD2 3.78Å; L349-L409 HydrophobicContact CD1-CG 4.5Å; L349-I412 HydrophobicContact CD1-CD1 4.19Å |
| 350 | L | 91.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.8 | -34.6 | 176.1 | -63.3 | 176.4 | 0 | 0 | 0 | 111.8 | I346 D347 V352 A353 C354 L409 F432 V451 L455 | I346-L350 HydrophobicContact CG2-CD1 3.96Å; I346-L350 HydrophobicContact CG2-CG 4.16Å; I346-L350 VanDerWaalsContact O-CG 3.3Å; I346-L350 WeakPolarHBondContact O-CG 3.48Å; I346-L350 PolarHBondContact O-N 3.41Å; D347-L350 CarbonylContact O-C 3.59Å; D347-L350 PolarHBondContact O-N 3.47Å; D347-L350 VanDerWaalsContact O-N 3.11Å; L350-V352 VanDerWaalsContact C-N 3.32Å; L350-V352 PolarHBondContact O-N 3.03Å; L350-A353 CarbonylContact O-C 3.52Å; L350-A353 WeakPolarHBondContact O-CA 3.34Å; L350-A353 VanDerWaalsContact O-CB 3.29Å; L350-A353 WeakPolarHBondContact O-CB 3.33Å; L350-A353 PolarHBondContact O-N 2.92Å; L350-A353 VanDerWaalsContact O-N 3.14Å; L350-C354 PolarHBondContact O-N 3.34Å; L350-C354 PolarHBondContact O-SG 3.14Å; L350-L409 HydrophobicContact CD2-CD1 4.12Å; L350-F432 HydrophobicContact CB-CD1 3.95Å; L350-F432 HydrophobicContact CB-CD2 4.3Å; L350-F432 HydrophobicContact CB-CE1 3.64Å; L350-F432 HydrophobicContact CB-CE2 4Å; L350-F432 HydrophobicContact CB-CG 4.26Å; L350-F432 HydrophobicContact CB-CZ 3.64Å; L350-F432 HydrophobicContact CD1-CB 3.9Å; L350-F432 HydrophobicContact CD1-CD1 3.95Å; L350-F432 HydrophobicContact CD1-CD2 4.19Å; L350-F432 HydrophobicContact CD1-CE1 4.5Å; L350-F432 HydrophobicContact CD1-CG 3.77Å; L350-V451 HydrophobicContact CD2-CG1 3.8Å; L350-L455 HydrophobicContact CD2-CD2 4.29Å |
| 351 | E | 88.6 | Confident | 81.9 | Confident | 46 Ų | 46 | 36 Ų | 36 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 171.2 | -76.2 | 176 | 173.2 | 0 | 0 | 112 | N307 D347 A353 C354 A355 F432 | N307-E351 PolarHBondContact ND2-OE2 3.2Å; D347-E351 WeakPolarHBondContact O-CG 3.44Å; D347-E351 PolarHBondContact O-N 3.04Å; E351-A353 VanDerWaalsContact C-N 3.3Å; E351-C354 WeakPolarHBondContact O-CB 3.27Å; E351-C354 PolarHBondContact O-N 3.28Å; E351-A355 PolarHBondContact O-N 3.24Å; E351-F432 HydrophobicContact CG-CE2 4.26Å; E351-F432 HydrophobicContact CG-CZ 4.25Å |
| 352 | V | 90.1 | Very high | 80 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -36.6 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 110 | V306 N307 L320 S348 L349 L350 A355 S356 L395 T397 T401 V405 | V306-V352 HydrophobicContact CG1-CG2 3.69Å; N307-V352 HydrophobicContact CB-CG2 4.27Å; L320-V352 HydrophobicContact CD1-CG1 4.48Å; S348-V352 WeakPolarHBondContact O-CG2 3.4Å; S348-V352 PolarHBondContact O-N 2.92Å; L349-V352 PolarHBondContact O-N 2.96Å; L350-V352 VanDerWaalsContact C-N 3.32Å; L350-V352 PolarHBondContact O-N 3.03Å; V352-A355 PolarHBondContact O-N 3.33Å; V352-S356 WeakPolarHBondContact O-CB 3.43Å; V352-S356 PolarHBondContact O-N 3.2Å; V352-L395 HydrophobicContact CB-CD2 4.34Å; V352-L395 HydrophobicContact CG2-CD2 3.96Å; V352-T397 HydrophobicContact CG1-CG2 4.26Å; V352-T401 HydrophobicContact CG1-CG2 3.52Å; V352-V405 HydrophobicContact CB-CG2 4.26Å; V352-V405 HydrophobicContact CG1-CG2 3.74Å |
| 353 | A | 89.6 | Confident | 78 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L349 L350 E351 A355 S356 V405 S450 V451 T454 | L349-A353 PolarHBondContact O-N 3.27Å; L350-A353 CarbonylContact O-C 3.52Å; L350-A353 WeakPolarHBondContact O-CA 3.34Å; L350-A353 VanDerWaalsContact O-CB 3.29Å; L350-A353 WeakPolarHBondContact O-CB 3.33Å; L350-A353 PolarHBondContact O-N 2.92Å; L350-A353 VanDerWaalsContact O-N 3.14Å; E351-A353 VanDerWaalsContact C-N 3.3Å; A353-A355 PolarHBondContact O-N 3.2Å; A353-S356 PolarHBondContact O-N 3.34Å; A353-S356 PolarHBondContact O-OG 2.9Å; A353-V405 HydrophobicContact CB-CG1 4.24Å; A353-S450 PolarHBondContact O-OG 3.48Å; A353-V451 HydrophobicContact CB-CG2 4.39Å; A353-T454 HydrophobicContact CB-CG2 3.83Å |
| 354 | C | 87 | Confident | 76.4 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -52.7 | -56.5 | 172.8 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | L350 E351 S356 I358 R368 E447 S450 V451 | L350-C354 PolarHBondContact O-N 3.34Å; L350-C354 PolarHBondContact O-SG 3.14Å; E351-C354 WeakPolarHBondContact O-CB 3.27Å; E351-C354 PolarHBondContact O-N 3.28Å; C354-S356 VanDerWaalsContact C-N 3.25Å; C354-S356 PolarHBondContact O-N 3.42Å; C354-I358 VanDerWaalsContact O-CD1 3.29Å; C354-I358 WeakPolarHBondContact O-CD1 3.38Å; C354-R368 PolarHBondContact SG-NH2 3.02Å; C354-E447 HydrophobicContact CB-CB 4.21Å; C354-E447 HydrophobicContact CB-CG 4.45Å; C354-S450 PolarHBondContact O-OG 3.44Å; C354-V451 HydrophobicContact CB-CG2 4.36Å; C354-V451 WeakPolarHBondContact SG-CG2 3.48Å |
| 355 | A | 83.4 | Confident | 74.5 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -33.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E351 V352 A353 G357 I358 T359 L395 T397 | E351-A355 PolarHBondContact O-N 3.24Å; V352-A355 PolarHBondContact O-N 3.33Å; A353-A355 PolarHBondContact O-N 3.2Å; A355-G357 PolarHBondContact O-N 3.33Å; A355-I358 PolarHBondContact O-N 3.22Å; A355-T359 PolarHBondContact O-N 2.75Å; A355-L395 HydrophobicContact CB-CB 3.93Å; A355-L395 HydrophobicContact CB-CD2 3.83Å; A355-L395 HydrophobicContact CB-CG 4.28Å; A355-T397 HydrophobicContact CB-CG2 3.94Å; A355-T397 PolarHBondContact O-OG1 3.45Å |
| 356 | S | 82.3 | Confident | 72.5 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -35 | -172.9 | 72.9 | 0 | 0 | 0 | 0 | 115.2 | V352 A353 C354 I358 T397 R402 | V352-S356 WeakPolarHBondContact O-CB 3.43Å; V352-S356 PolarHBondContact O-N 3.2Å; A353-S356 PolarHBondContact O-N 3.34Å; A353-S356 PolarHBondContact O-OG 2.9Å; C354-S356 VanDerWaalsContact C-N 3.25Å; C354-S356 PolarHBondContact O-N 3.42Å; S356-I358 VanDerWaalsContact C-N 3.31Å; S356-T397 WeakPolarHBondContact CA-OG1 3.42Å; S356-R402 WeakPolarHBondContact OG-CB 3.49Å |
| 357 | G | 69.9 | Low | 70.3 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A355 S450 | A355-G357 PolarHBondContact O-N 3.33Å; G357-S450 VanDerWaalsContact CA-OG 3.28Å; G357-S450 WeakPolarHBondContact CA-OG 3.44Å; G357-S450 PolarHBondContact N-OG 3.47Å |
| 358 | I | 70.3 | Confident | 68.5 | Low | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -3.2 | -169.1 | -77.4 | 161.1 | 0 | 0 | 0 | 111.8 | C354 A355 S356 S360 L361 W364 V446 E447 I490 | C354-I358 VanDerWaalsContact O-CD1 3.29Å; C354-I358 WeakPolarHBondContact O-CD1 3.38Å; A355-I358 PolarHBondContact O-N 3.22Å; S356-I358 VanDerWaalsContact C-N 3.31Å; I358-S360 PolarHBondContact O-N 3.11Å; I358-L361 HydrophobicContact CB-CD1 4.03Å; I358-L361 HydrophobicContact CG1-CD1 3.96Å; I358-L361 HydrophobicContact CG2-CB 4.36Å; I358-L361 HydrophobicContact CG2-CD1 3.88Å; I358-L361 WeakPolarHBondContact O-CB 3.46Å; I358-L361 PolarHBondContact O-N 3.25Å; I358-W364 HydrophobicContact CB-CE3 4.25Å; I358-W364 HydrophobicContact CB-CH2 4.42Å; I358-W364 HydrophobicContact CB-CZ3 4.11Å; I358-W364 HydrophobicContact CD1-CE3 4.41Å; I358-W364 HydrophobicContact CD1-CH2 3.11Å; I358-W364 HydrophobicContact CD1-CZ2 3.54Å; I358-W364 HydrophobicContact CD1-CZ3 3.61Å; I358-W364 HydrophobicContact CG1-CE3 4.16Å; I358-W364 HydrophobicContact CG1-CH2 3.61Å; I358-W364 HydrophobicContact CG1-CZ2 4.31Å; I358-W364 HydrophobicContact CG1-CZ3 3.51Å; I358-W364 HydrophobicContact CG2-CD2 3.36Å; I358-W364 HydrophobicContact CG2-CE3 3.19Å; I358-W364 HydrophobicContact CG2-CG 3.97Å; I358-W364 HydrophobicContact CG2-CH2 3.96Å; I358-W364 HydrophobicContact CG2-CZ2 4.11Å; I358-W364 HydrophobicContact CG2-CZ3 3.51Å; I358-V446 HydrophobicContact CD1-CG1 4.39Å; I358-V446 HydrophobicContact CG1-CG1 4.34Å; I358-E447 HydrophobicContact CD1-CB 4.26Å; I358-E447 HydrophobicContact CD1-CG 3.8Å; I358-I490 HydrophobicContact CG1-CD1 4.08Å |
| 359 | T | 62.2 | Low | 66.4 | Low | 63 Ų | 63 | 45.1 Ų | 45.1 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -31.9 | -178.6 | 43.2 | 0 | 0 | 0 | 0 | 114.5 | A355 L361 T397 | A355-T359 PolarHBondContact O-N 2.75Å; T359-L361 VanDerWaalsContact C-N 3.32Å; T359-T397 WeakPolarHBondContact CG2-OG1 3.4Å |
| 360 | S | 54.8 | Low | 63.9 | Low | 54 Ų | 54 | 49.9 Ų | 49.9 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.4 | -176 | -51.1 | 0 | 0 | 0 | 0 | 113 | I358 K362 D639 | I358-S360 PolarHBondContact O-N 3.11Å; S360-K362 PolarHBondContact O-N 3.14Å; S360-D639 PolarHBondContact OG-OD2 3.19Å |
| 361 | L | 54.4 | Low | 61.6 | Low | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | trans | -77.2 | 104.7 | 175.5 | -76.5 | 116.6 | 0 | 0 | 0 | 112.3 | I358 T359 W364 R394 L486 Y487 I490 | I358-L361 HydrophobicContact CB-CD1 4.03Å; I358-L361 HydrophobicContact CG1-CD1 3.96Å; I358-L361 HydrophobicContact CG2-CB 4.36Å; I358-L361 HydrophobicContact CG2-CD1 3.88Å; I358-L361 WeakPolarHBondContact O-CB 3.46Å; I358-L361 PolarHBondContact O-N 3.25Å; T359-L361 VanDerWaalsContact C-N 3.32Å; L361-W364 HydrophobicContact CB-CB 4.12Å; L361-W364 HydrophobicContact CB-CE3 3.74Å; L361-W364 HydrophobicContact CD1-CE3 3.51Å; L361-W364 HydrophobicContact CD1-CZ3 3.49Å; L361-W364 VanDerWaalsContact CD1-CZ3 3.49Å; L361-W364 HydrophobicContact CD2-CE3 3.64Å; L361-W364 HydrophobicContact CD2-CZ3 3.95Å; L361-W364 HydrophobicContact CG-CE3 3.76Å; L361-W364 HydrophobicContact CG-CZ3 4.15Å; L361-R394 PolarHBondContact O-NH1 3.12Å; L361-L486 HydrophobicContact CB-CD2 4.12Å; L361-L486 HydrophobicContact CD1-CD2 4.44Å; L361-L486 HydrophobicContact CD1-CG 4.16Å; L361-L486 HydrophobicContact CD2-CB 4.22Å; L361-L486 HydrophobicContact CD2-CD2 3.27Å; L361-L486 HydrophobicContact CD2-CG 3.47Å; L361-L486 VanDerWaalsContact CD2-CG 3.47Å; L361-L486 HydrophobicContact CG-CD1 4.27Å; L361-L486 HydrophobicContact CG-CD2 3.34Å; L361-L486 HydrophobicContact CG-CG 3.53Å; L361-Y487 HydrophobicContact CD2-CD1 4.21Å; L361-Y487 HydrophobicContact CD2-CE1 3.78Å; L361-I490 HydrophobicContact CD1-CD1 3.38Å | ||
| 362 | K | 46.4 | Very low | 59.3 | Low | 178 Ų | 178 | 59.6 Ų | 59.6 | 77% | 0.774 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 144.3 | 164.6 | -64.7 | -177.7 | -178.5 | 176.6 | 0 | 109.7 | S360 W364 | S360-K362 PolarHBondContact O-N 3.14Å; K362-W364 VanDerWaalsContact C-N 3.3Å; K362-W364 PolarHBondContact O-N 3.18Å |
| 363 | N | 44.2 | Very low | 56.7 | Low | 132 Ų | 132 | 66.1 Ų | 66.1 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 10.1 | -179 | -58.1 | -27.5 | 0 | 0 | 0 | 118.8 | R365 D391 R394 | N363-R365 PolarHBondContact O-N 3.27Å; N363-D391 PolarHBondContact N-OD1 3.03Å; N363-R394 VanDerWaalsContact C-NH2 3.25Å |
| 364 | W | 48.9 | Very low | 54 | Low | 22 Ų | 22 | 71.6 Ų | 71.6 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | trans | -56 | 133.8 | 170.5 | -172.5 | -68 | 0 | 0 | 0 | 113.4 | I358 L361 K362 S366 R394 E443 V446 E447 | I358-W364 HydrophobicContact CB-CE3 4.25Å; I358-W364 HydrophobicContact CB-CH2 4.42Å; I358-W364 HydrophobicContact CB-CZ3 4.11Å; I358-W364 HydrophobicContact CD1-CE3 4.41Å; I358-W364 HydrophobicContact CD1-CH2 3.11Å; I358-W364 HydrophobicContact CD1-CZ2 3.54Å; I358-W364 HydrophobicContact CD1-CZ3 3.61Å; I358-W364 HydrophobicContact CG1-CE3 4.16Å; I358-W364 HydrophobicContact CG1-CH2 3.61Å; I358-W364 HydrophobicContact CG1-CZ2 4.31Å; I358-W364 HydrophobicContact CG1-CZ3 3.51Å; I358-W364 HydrophobicContact CG2-CD2 3.36Å; I358-W364 HydrophobicContact CG2-CE3 3.19Å; I358-W364 HydrophobicContact CG2-CG 3.97Å; I358-W364 HydrophobicContact CG2-CH2 3.96Å; I358-W364 HydrophobicContact CG2-CZ2 4.11Å; I358-W364 HydrophobicContact CG2-CZ3 3.51Å; L361-W364 HydrophobicContact CB-CB 4.12Å; L361-W364 HydrophobicContact CB-CE3 3.74Å; L361-W364 HydrophobicContact CD1-CE3 3.51Å; L361-W364 HydrophobicContact CD1-CZ3 3.49Å; L361-W364 VanDerWaalsContact CD1-CZ3 3.49Å; L361-W364 HydrophobicContact CD2-CE3 3.64Å; L361-W364 HydrophobicContact CD2-CZ3 3.95Å; L361-W364 HydrophobicContact CG-CE3 3.76Å; L361-W364 HydrophobicContact CG-CZ3 4.15Å; K362-W364 VanDerWaalsContact C-N 3.3Å; K362-W364 PolarHBondContact O-N 3.18Å; W364-S366 VanDerWaalsContact CD1-N 3.32Å; W364-R394 PolarHBondContact O-NE 3.37Å; W364-R394 VanDerWaalsContact O-NE 3.11Å; W364-R394 PolarHBondContact O-NH2 3.42Å; W364-E443 HydrophobicContact CH2-CB 4.3Å; W364-E443 WeakPolarHBondContact CH2-O 3.25Å; W364-E443 HydrophobicContact CZ2-CB 3.94Å; W364-E443 WeakPolarHBondContact CZ2-O 3.45Å; W364-V446 HydrophobicContact CH2-CB 3.77Å; W364-V446 HydrophobicContact CH2-CG1 3.68Å; W364-V446 HydrophobicContact CZ3-CB 4.17Å; W364-V446 HydrophobicContact CZ3-CG1 3.69Å; W364-E447 HydrophobicContact CH2-CG 4Å; W364-E447 HydrophobicContact CZ2-CG 3.46Å; W364-E447 VanDerWaalsContact CZ2-CG 3.46Å | ||
| 365 | R | 45.9 | Very low | 51.4 | Low | 221 Ų | 221 | 76.7 Ų | 76.7 | 83% | 0.834 | 38% | 0.378 | S | S | * | . | trans | -121.5 | 113.2 | 167.6 | -65.9 | -179.2 | 177.6 | -178.1 | 0.6 | 109.3 | N363 | N363-R365 PolarHBondContact O-N 3.27Š| ||
| 366 | S | 47.8 | Very low | 49.2 | Very low | 25 Ų | 25 | 82.3 Ų | 82.3 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | trans | -80.5 | 131.7 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | W364 R368 I369 E447 | W364-S366 VanDerWaalsContact CD1-N 3.32Å; S366-R368 PolarHBondContact O-N 3.46Å; S366-I369 PolarHBondContact O-N 3.4Å; S366-E447 WeakPolarHBondContact CB-OE1 3.39Å; S366-E447 PolarHBondContact OG-OE1 3.26Å | ||
| 367 | S | 45.7 | Very low | 46.8 | Very low | 44 Ų | 44 | 88.2 Ų | 88.2 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.8 | 177.3 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | I369 N370 | S367-I369 PolarHBondContact O-N 3.13Å; S367-I369 VanDerWaalsContact O-N 3.12Å; S367-N370 PolarHBondContact O-N 3.13Å |
| 368 | R | 51.5 | Low | 45.1 | Very low | 54 Ų | 54 | 94.1 Ų | 94.1 | 20% | 0.204 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.1 | -22.1 | 179.9 | -76.8 | -168.4 | -98 | -161.1 | 1.2 | 114.2 | C354 S366 N370 K371 H372 L436 E447 | C354-R368 PolarHBondContact SG-NH2 3.02Å; S366-R368 PolarHBondContact O-N 3.46Å; R368-N370 PolarHBondContact O-N 2.95Å; R368-K371 PolarHBondContact O-N 2.84Å; R368-H372 PolarHBondContact O-N 2.92Å; R368-H372 VanDerWaalsContact O-N 3.11Å; R368-L436 VanDerWaalsContact NH2-CD2 3.32Å; R368-E447 IonicContact CZ-OE2 3.57Å; R368-E447 IonicContact NE-OE2 3.27Å; R368-E447 PolarHBondContact NE-OE2 3.4Å; R368-E447 IonicContact NH2-OE2 3.69Å; R368-E447 PolarHBondContact NH2-OE2 3.36Å |
| 369 | I | 46.8 | Very low | 43.5 | Very low | 31 Ų | 31 | 97.2 Ų | 97.2 | 16% | 0.159 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.9 | -34.3 | 173.3 | -61.9 | 163.6 | 0 | 0 | 0 | 110.9 | S366 S367 R373 I393 | S366-I369 PolarHBondContact O-N 3.4Å; S367-I369 PolarHBondContact O-N 3.13Å; S367-I369 VanDerWaalsContact O-N 3.12Å; I369-R373 VanDerWaalsContact O-CB 3.3Å; I369-R373 WeakPolarHBondContact O-CB 3.47Å; I369-R373 PolarHBondContact O-N 3.48Å; I369-I393 WeakPolarHBondContact CD1-O 3.49Å |
| 370 | N | 40 | Very low | 41.9 | Very low | 101 Ų | 101 | 101.4 Ų | 101.4 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.3 | -31.1 | 178.2 | -79.2 | -15.9 | 0 | 0 | 0 | 112.7 | S367 R368 | S367-N370 PolarHBondContact O-N 3.13Å; R368-N370 PolarHBondContact O-N 2.95Å |
| 371 | K | 43.5 | Very low | 40.7 | Very low | 169 Ų | 169 | 108.5 Ų | 108.5 | 74% | 0.735 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.4 | -44.6 | 172.5 | -91.1 | -178.7 | 176.2 | 174.7 | 0 | 111.7 | R368 N374 | R368-K371 PolarHBondContact O-N 2.84Å; K371-N374 PolarHBondContact O-N 3.41Å |
| 372 | H | 40.8 | Very low | 39.4 | Very low | 80 Ų | 80 | 116.2 Ų | 116.2 | 37% | 0.37 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73 | -32.7 | 178.9 | -80.5 | -72.9 | 0 | 0 | 0 | 114 | R368 N374 N375 E376 | R368-H372 PolarHBondContact O-N 2.92Å; R368-H372 VanDerWaalsContact O-N 3.11Å; H372-N374 PolarHBondContact O-N 2.6Å; H372-N375 PolarHBondContact O-N 3.09Å; H372-E376 PolarHBondContact O-N 3.12Å |
| 373 | R | 34.5 | Very low | 38.6 | Very low | 138 Ų | 138 | 114.6 Ų | 114.6 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -54.5 | -39.3 | 172.9 | -103.4 | -179.7 | 158.2 | 177.7 | -5.5 | 112.6 | I369 N375 L377 | I369-R373 VanDerWaalsContact O-CB 3.3Å; I369-R373 WeakPolarHBondContact O-CB 3.47Å; I369-R373 PolarHBondContact O-N 3.48Å; R373-N375 VanDerWaalsContact C-N 3.27Å; R373-N375 PolarHBondContact O-N 3.42Å; R373-L377 WeakPolarHBondContact O-CB 3.38Å; R373-L377 WeakPolarHBondContact O-CD1 3.42Å; R373-L377 WeakPolarHBondContact O-CG 3.5Å; R373-L377 PolarHBondContact O-N 3.4Å |
| 374 | N | 33.8 | Very low | 37.7 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.5 | -25.8 | 179.8 | -74.5 | -13.2 | 0 | 0 | 0 | 112.9 | K371 H372 I378 | K371-N374 PolarHBondContact O-N 3.41Å; H372-N374 PolarHBondContact O-N 2.6Å; N374-I378 WeakPolarHBondContact O-CD1 3.44Å |
| 375 | N | 33.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -88.6 | -38.3 | 178.3 | -75.9 | -9.3 | 0 | 0 | 0 | 112.9 | H372 R373 | H372-N375 PolarHBondContact O-N 3.09Å; R373-N375 VanDerWaalsContact C-N 3.27Å; R373-N375 PolarHBondContact O-N 3.42Å |
| 376 | E | 36.2 | Very low | 36 | Very low | 137 Ų | 137 | 111.9 Ų | 111.9 | 64% | 0.64 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.7 | -31.1 | -178.3 | -72.3 | -170.1 | 161.7 | 0 | 0 | 113.5 | H372 I378 S379 | H372-E376 PolarHBondContact O-N 3.12Å; E376-I378 PolarHBondContact O-N 3.36Å; E376-I378 VanDerWaalsContact O-N 3.13Å; E376-S379 CarbonylContact O-C 3.16Å; E376-S379 PolarHBondContact O-N 3.25Å |
| 377 | L | 33.1 | Very low | 35 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -20.1 | 175.9 | -83.3 | 162 | 0 | 0 | 0 | 113.3 | R373 S379 | R373-L377 WeakPolarHBondContact O-CB 3.38Å; R373-L377 WeakPolarHBondContact O-CD1 3.42Å; R373-L377 WeakPolarHBondContact O-CG 3.5Å; R373-L377 PolarHBondContact O-N 3.4Å; L377-S379 VanDerWaalsContact C-N 3.35Å |
| 378 | I | 33.1 | Very low | 34.2 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 74% | 0.744 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -19.4 | 177.8 | -59.7 | 174.1 | 0 | 0 | 0 | 111.4 | N374 E376 | N374-I378 WeakPolarHBondContact O-CD1 3.44Å; E376-I378 PolarHBondContact O-N 3.36Å; E376-I378 VanDerWaalsContact O-N 3.13Å |
| 379 | S | 37.4 | Very low | 33.2 | Very low | 79 Ų | 79 | 124.3 Ų | 124.3 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -134.7 | 62.3 | -175.7 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | E376 L377 | E376-S379 CarbonylContact O-C 3.16Å; E376-S379 PolarHBondContact O-N 3.25Å; L377-S379 VanDerWaalsContact C-N 3.35Å |
| 380 | N | 28.5 | Very low | 32.5 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 68% | 0.678 | S | S | * | * | trans | 158.2 | 117 | 138.6 | -81 | -34.7 | 0 | 0 | 0 | 111.2 | H382 | N380-H382 VanDerWaalsContact C-N 3.28Å; N380-H382 PolarHBondContact O-N 2.95Å | ||
| 381 | K | 29.9 | Very low | 32.3 | Very low | 204 Ų | 204 | 127.3 Ų | 127.3 | 89% | 0.887 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -83.8 | 17.7 | 178.8 | -80.6 | -174.3 | 175 | 178.3 | 0 | 114.9 | ||
| 382 | H | 27.2 | Very low | 32.3 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 79% | 0.792 | 66% | 0.656 | S | S | * | * | trans | -133 | 92.3 | 179.3 | -71 | -66.8 | 0 | 0 | 0 | 110.3 | N380 | N380-H382 VanDerWaalsContact C-N 3.28Å; N380-H382 PolarHBondContact O-N 2.95Å | ||
| 383 | E | 27.8 | Very low | 32.8 | Very low | 144 Ų | 144 | 122 Ų | 122 | 67% | 0.673 | 66% | 0.66 | S | S | * | * | trans | 174.2 | 79.7 | 146.2 | -97.1 | 174.9 | -170.8 | 0 | 0 | 110.3 | ||||
| 384 | T | 26.9 | Very low | 34.2 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 72% | 0.718 | 65% | 0.648 | S | S | * | * | trans | -81.1 | 106 | 160.7 | 27.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 385 | S | 30.6 | Very low | 36.2 | Very low | 78 Ų | 78 | 114.3 Ų | 114.3 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | trans | 178.4 | -4.2 | 153.6 | 37.2 | 0 | 0 | 0 | 0 | 117.5 | Q387 | S385-Q387 PolarHBondContact O-N 3.33Š| ||
| 386 | C | 27.5 | Very low | 38.2 | Very low | 124 Ų | 124 | 111.3 Ų | 111.3 | 84% | 0.838 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -78.4 | 37.5 | 165.3 | -70.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 387 | Q | 26.8 | Very low | 40.4 | Very low | 146 Ų | 146 | 105.5 Ų | 105.5 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | trans | -103.4 | 4.4 | -170.9 | -77 | -173.5 | -17 | 0 | 0 | 115.1 | S385 | S385-Q387 PolarHBondContact O-N 3.33Š| ||
| 388 | N | 28.3 | Very low | 42.7 | Very low | 161 Ų | 161 | 100.7 Ų | 100.7 | 86% | 0.861 | 57% | 0.565 | S | S | * | * | trans | -122.2 | 41.6 | -170.7 | -67.8 | -7.1 | 0 | 0 | 0 | 115.1 | ||||
| 389 | S | 31.6 | Very low | 44.6 | Very low | 76 Ų | 76 | 96.1 Ų | 96.1 | 53% | 0.531 | 55% | 0.545 | S | S | . | . | trans | -109.3 | 132.5 | 153.5 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | D391 | S389-D391 CarbonylContact C-O 3.59Å; S389-D391 PolarHBondContact O-N 3.04Å; S389-D391 VanDerWaalsContact O-O 3.1Å; S389-D391 PolarHBondContact OG-O 2.73Å | ||
| 390 | P | 32.4 | Very low | 46.5 | Very low | 139 Ų | 139 | 93.8 Ų | 93.8 | 90% | 0.903 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -64.7 | -21.3 | 179.1 | 23.6 | -30.5 | 0 | 0 | 0 | 112.7 | ||
| 391 | D | 35.2 | Very low | 49.2 | Very low | 56 Ų | 56 | 86.7 Ų | 86.7 | 30% | 0.299 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -82.6 | 126.5 | 164.1 | -70.9 | -61.5 | 0 | 0 | 0 | 109.4 | N363 S389 R394 | N363-D391 PolarHBondContact N-OD1 3.03Å; S389-D391 CarbonylContact C-O 3.59Å; S389-D391 PolarHBondContact O-N 3.04Å; S389-D391 VanDerWaalsContact O-O 3.1Å; S389-D391 PolarHBondContact OG-O 2.73Å; D391-R394 IonicContact OD1-CZ 3.02Å; D391-R394 IonicContact OD1-NH1 3.11Å; D391-R394 IonicContact OD1-NH2 3.59Å; D391-R394 PolarHBondContact OD1-NH2 3.17Å |
| 392 | G | 43.7 | Very low | 51.9 | Low | 50 Ų | 50 | 78.4 Ų | 78.4 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | trans | -55 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R394 | G392-R394 PolarHBondContact O-N 3.08Š| ||
| 393 | I | 50.9 | Low | 54.6 | Low | 87 Ų | 87 | 72 Ų | 72 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -58.4 | 99.3 | -178.1 | -56.4 | 168.3 | 0 | 0 | 0 | 109.8 | Y309 I369 | Y309-I393 HydrophobicContact CD1-CG2 3.75Å; Y309-I393 HydrophobicContact CE1-CG2 4.4Å; Y309-I393 HydrophobicContact CG-CG2 4.06Å; I369-I393 WeakPolarHBondContact CD1-O 3.49Å |
| 394 | R | 63.1 | Low | 57.4 | Low | 72 Ų | 72 | 65.2 Ų | 65.2 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | trans | -104.5 | 148.1 | 176.7 | -70.4 | -172.7 | -173.1 | 152.8 | 19.5 | 111 | L361 N363 W364 D391 G392 A396 | L361-R394 PolarHBondContact O-NH1 3.12Å; N363-R394 VanDerWaalsContact C-NH2 3.25Å; W364-R394 PolarHBondContact O-NE 3.37Å; W364-R394 VanDerWaalsContact O-NE 3.11Å; W364-R394 PolarHBondContact O-NH2 3.42Å; D391-R394 IonicContact OD1-CZ 3.02Å; D391-R394 IonicContact OD1-NH1 3.11Å; D391-R394 IonicContact OD1-NH2 3.59Å; D391-R394 PolarHBondContact OD1-NH2 3.17Å; G392-R394 PolarHBondContact O-N 3.08Å; R394-A396 PolarHBondContact O-N 2.97Å; R394-A396 VanDerWaalsContact O-N 3.1Å | ||
| 395 | L | 76.9 | Confident | 60.5 | Low | 21 Ų | 21 | 59.6 Ų | 59.6 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | trans | -74 | 97.4 | 166.1 | -169.5 | 76.9 | 0 | 0 | 0 | 108.1 | N307 Y309 R316 V352 A355 T397 | N307-L395 VanDerWaalsContact O-CD1 3.31Å; N307-L395 WeakPolarHBondContact O-CD1 3.31Å; Y309-L395 HydrophobicContact CD1-CB 4.18Å; Y309-L395 HydrophobicContact CD1-CD1 4.31Å; Y309-L395 HydrophobicContact CE1-CB 3.97Å; Y309-L395 HydrophobicContact CG-CD1 4.48Å; R316-L395 VanDerWaalsContact NH2-CD1 3.27Å; V352-L395 HydrophobicContact CB-CD2 4.34Å; V352-L395 HydrophobicContact CG2-CD2 3.96Å; A355-L395 HydrophobicContact CB-CB 3.93Å; A355-L395 HydrophobicContact CB-CD2 3.83Å; A355-L395 HydrophobicContact CB-CG 4.28Å; L395-T397 PolarHBondContact O-N 3.03Å | ||
| 396 | A | 74.9 | Confident | 63.3 | Low | 49 Ų | 49 | 55.9 Ų | 55.9 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | trans | -76.9 | 105.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P313 R316 R394 | P313-A396 WeakPolarHBondContact CA-O 3.38Å; P313-A396 WeakPolarHBondContact CB-O 3.48Å; P313-A396 HydrophobicContact CG-CB 3.85Å; P313-A396 WeakPolarHBondContact CG-O 3.35Å; R316-A396 PolarHBondContact NH1-O 2.84Å; R394-A396 PolarHBondContact O-N 2.97Å; R394-A396 VanDerWaalsContact O-N 3.1Å | ||
| 397 | T | 83.5 | Confident | 66.1 | Low | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | trans | -100.6 | 169.1 | 177.9 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | V352 A355 S356 T359 L395 T401 | V352-T397 HydrophobicContact CG1-CG2 4.26Å; A355-T397 HydrophobicContact CB-CG2 3.94Å; A355-T397 PolarHBondContact O-OG1 3.45Å; S356-T397 WeakPolarHBondContact CA-OG1 3.42Å; T359-T397 WeakPolarHBondContact CG2-OG1 3.4Å; L395-T397 PolarHBondContact O-N 3.03Å; T397-T401 WeakPolarHBondContact CB-OG1 3.37Å; T397-T401 HydrophobicContact CG2-CG2 3.79Å | ||
| 398 | T | 80.8 | Confident | 69.1 | Low | 30 Ų | 30 | 44.3 Ų | 44.3 | 18% | 0.184 | 27% | 0.267 | C | S | . | . | trans | -101.9 | 173.6 | 168.3 | 75.7 | 0 | 0 | 0 | 0 | 110.2 | P313 D317 D400 T401 | P313-T398 HydrophobicContact CB-CG2 3.39Å; D317-T398 VanDerWaalsContact CG-OG1 3.27Å; D317-T398 PolarHBondContact OD1-OG1 3.3Å; D317-T398 VanDerWaalsContact OD2-CB 3.26Å; D317-T398 WeakPolarHBondContact OD2-CB 3.45Å; D317-T398 WeakPolarHBondContact OD2-CG2 3.23Å; D317-T398 PolarHBondContact OD2-OG1 3.01Å; T398-D400 PolarHBondContact O-N 2.89Å; T398-D400 PolarHBondContact OG1-N 3.48Å; T398-T401 PolarHBondContact N-OG1 2.78Å; T398-T401 WeakPolarHBondContact O-CB 3.46Å; T398-T401 PolarHBondContact O-N 2.74Å; T398-T401 PolarHBondContact O-OG1 3.2Å; T398-T401 PolarHBondContact OG1-OG1 3.13Å | ||
| 399 | S | 72.8 | Confident | 72.2 | Confident | 48 Ų | 48 | 36.6 Ų | 36.6 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.6 | 171.6 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | T401 | S399-T401 VanDerWaalsContact C-N 3.34Š|
| 400 | D | 77.5 | Confident | 75 | Confident | 31 Ų | 31 | 33.8 Ų | 33.8 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.3 | -176.1 | -67.3 | -24.2 | 0 | 0 | 0 | 112.4 | T398 R402 T404 K680 | T398-D400 PolarHBondContact O-N 2.89Å; T398-D400 PolarHBondContact OG1-N 3.48Å; D400-R402 VanDerWaalsContact C-N 3.34Å; D400-R402 PolarHBondContact O-N 3.41Å; D400-T404 PolarHBondContact O-N 3.46Å; D400-T404 VanDerWaalsContact O-N 3.15Å; D400-T404 PolarHBondContact O-OG1 3.22Å; D400-K680 HydrophobicContact CB-CD 4.07Å; D400-K680 HydrophobicContact CB-CG 4.42Å; D400-K680 PolarHBondContact OD1-N 3.12Å; D400-K680 VanDerWaalsContact OD1-N 3.09Å |
| 401 | T | 85.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | -176.8 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | D317 L320 V352 T397 T398 S399 M403 T404 V405 | D317-T401 WeakPolarHBondContact OD1-CA 3.29Å; D317-T401 WeakPolarHBondContact OD1-CB 3.23Å; D317-T401 PolarHBondContact OD1-OG1 3.48Å; L320-T401 HydrophobicContact CD1-CG2 3.93Å; V352-T401 HydrophobicContact CG1-CG2 3.52Å; T397-T401 WeakPolarHBondContact CB-OG1 3.37Å; T397-T401 HydrophobicContact CG2-CG2 3.79Å; T398-T401 PolarHBondContact N-OG1 2.78Å; T398-T401 WeakPolarHBondContact O-CB 3.46Å; T398-T401 PolarHBondContact O-N 2.74Å; T398-T401 PolarHBondContact O-OG1 3.2Å; T398-T401 PolarHBondContact OG1-OG1 3.13Å; S399-T401 VanDerWaalsContact C-N 3.34Å; T401-M403 PolarHBondContact O-N 2.92Å; T401-T404 PolarHBondContact O-N 3.28Å; T401-V405 HydrophobicContact CG2-CG2 4.15Å; T401-V405 WeakPolarHBondContact O-CG2 3.14Å; T401-V405 PolarHBondContact O-N 2.85Å |
| 402 | R | 86.6 | Confident | 80.4 | Confident | 30 Ų | 30 | 27.3 Ų | 27.3 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.2 | -53 | -177.1 | -169.9 | -177.3 | -166.9 | 177.6 | 9.5 | 111.9 | S356 D400 T404 V405 A406 S450 G453 T454 L457 I497 | S356-R402 WeakPolarHBondContact OG-CB 3.49Å; D400-R402 VanDerWaalsContact C-N 3.34Å; D400-R402 PolarHBondContact O-N 3.41Å; R402-T404 VanDerWaalsContact C-N 3.33Å; R402-T404 PolarHBondContact O-N 3.41Å; R402-V405 PolarHBondContact O-N 2.79Å; R402-A406 WeakPolarHBondContact O-CB 3.28Å; R402-A406 PolarHBondContact O-N 3.37Å; R402-S450 PolarHBondContact NH2-O 3.34Å; R402-G453 VanDerWaalsContact NH2-CA 3.27Å; R402-T454 HydrophobicContact CG-CG2 4.21Å; R402-T454 WeakPolarHBondContact CG-OG1 3.43Å; R402-T454 PolarHBondContact NE-OG1 3.29Å; R402-L457 HydrophobicContact CG-CD1 4.31Å; R402-I497 VanDerWaalsContact NH1-CD1 3.35Å |
| 403 | M | 84 | Confident | 82.6 | Confident | 38 Ų | 38 | 25.7 Ų | 25.7 | 19% | 0.187 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 179.5 | -180 | 52.6 | 70.3 | 0 | 0 | 112.1 | T401 A406 C407 L457 D681 | T401-M403 PolarHBondContact O-N 2.92Å; M403-A406 PolarHBondContact O-N 2.95Å; M403-C407 WeakPolarHBondContact O-CB 3.34Å; M403-C407 PolarHBondContact O-N 2.98Å; M403-L457 HydrophobicContact CE-CB 4.38Å; M403-L457 HydrophobicContact CE-CD1 4.14Å; M403-L457 HydrophobicContact CE-CD2 4.06Å; M403-L457 HydrophobicContact CE-CG 4.41Å; M403-D681 WeakPolarHBondContact CB-OD1 3.36Å; M403-D681 WeakPolarHBondContact CE-OD1 3.45Å; M403-D681 WeakPolarHBondContact CG-OD1 2.94Å |
| 404 | T | 86.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.3 | -40.5 | -179.8 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | L320 E321 V324 D400 T401 R402 L408 K680 V757 | L320-T404 HydrophobicContact CB-CG2 3.54Å; E321-T404 HydrophobicContact CG-CG2 3.96Å; V324-T404 HydrophobicContact CG2-CG2 4.5Å; D400-T404 PolarHBondContact O-N 3.46Å; D400-T404 VanDerWaalsContact O-N 3.15Å; D400-T404 PolarHBondContact O-OG1 3.22Å; T401-T404 PolarHBondContact O-N 3.28Å; R402-T404 VanDerWaalsContact C-N 3.33Å; R402-T404 PolarHBondContact O-N 3.41Å; T404-L408 PolarHBondContact O-N 3.26Å; T404-L408 VanDerWaalsContact O-N 3.1Å; T404-K680 PolarHBondContact OG1-NZ 2.75Å; T404-V757 HydrophobicContact CG2-CB 4.33Å; T404-V757 HydrophobicContact CG2-CG1 4.06Å; T404-V757 HydrophobicContact CG2-CG2 4.43Å |
| 405 | V | 91.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 173 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L320 L349 V352 A353 T401 R402 C407 L408 L409 T454 | L320-V405 HydrophobicContact CD1-CG2 3.63Å; L320-V405 HydrophobicContact CD2-CG2 4.02Å; L320-V405 HydrophobicContact CG-CG2 4.49Å; L349-V405 HydrophobicContact CB-CG1 4.36Å; V352-V405 HydrophobicContact CB-CG2 4.26Å; V352-V405 HydrophobicContact CG1-CG2 3.74Å; A353-V405 HydrophobicContact CB-CG1 4.24Å; T401-V405 HydrophobicContact CG2-CG2 4.15Å; T401-V405 WeakPolarHBondContact O-CG2 3.14Å; T401-V405 PolarHBondContact O-N 2.85Å; R402-V405 PolarHBondContact O-N 2.79Å; V405-C407 VanDerWaalsContact C-N 3.28Å; V405-C407 PolarHBondContact O-N 3.5Å; V405-L408 PolarHBondContact O-N 3.02Å; V405-L408 VanDerWaalsContact O-N 3.12Å; V405-L409 HydrophobicContact CG1-CD1 3.82Å; V405-L409 HydrophobicContact CG1-CG 4.2Å; V405-L409 WeakPolarHBondContact O-CG 3.34Å; V405-L409 PolarHBondContact O-N 3.25Å; V405-T454 HydrophobicContact CG1-CG2 4.3Å |
| 406 | A | 89.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.2 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R402 M403 L409 A410 T454 L457 G458 | R402-A406 WeakPolarHBondContact O-CB 3.28Å; R402-A406 PolarHBondContact O-N 3.37Å; M403-A406 PolarHBondContact O-N 2.95Å; A406-L409 PolarHBondContact O-N 3.35Å; A406-A410 WeakPolarHBondContact O-CB 3.3Å; A406-A410 PolarHBondContact O-N 3.27Å; A406-T454 HydrophobicContact CB-CG2 3.86Å; A406-T454 VanDerWaalsContact CB-O 3.31Å; A406-T454 WeakPolarHBondContact CB-O 3.37Å; A406-L457 HydrophobicContact CB-CB 3.74Å; A406-G458 VanDerWaalsContact O-CA 3.26Å; A406-G458 WeakPolarHBondContact O-CA 3.48Å |
| 407 | C | 86.8 | Confident | 86.7 | Confident | 25 Ų | 25 | 25.5 Ų | 25.5 | 17% | 0.169 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 177 | -170.4 | 0 | 0 | 0 | 0 | 112.2 | M403 V405 A410 K411 V757 | M403-C407 WeakPolarHBondContact O-CB 3.34Å; M403-C407 PolarHBondContact O-N 2.98Å; V405-C407 VanDerWaalsContact C-N 3.28Å; V405-C407 PolarHBondContact O-N 3.5Å; C407-A410 PolarHBondContact O-N 3.02Å; C407-K411 WeakPolarHBondContact O-CB 3.38Å; C407-K411 VanDerWaalsContact O-CG 3.23Å; C407-K411 WeakPolarHBondContact O-CG 3.17Å; C407-K411 PolarHBondContact O-N 2.98Å; C407-V757 HydrophobicContact CB-CG1 3.75Å |
| 408 | L | 90.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 176.9 | -175.7 | 54.7 | 0 | 0 | 0 | 111.8 | L320 L323 V324 L349 T404 V405 A410 K411 I412 | L320-L408 HydrophobicContact CD2-CD2 4.12Å; L323-L408 HydrophobicContact CB-CD1 4.14Å; L323-L408 HydrophobicContact CB-CD2 3.91Å; L323-L408 HydrophobicContact CD1-CD2 4.17Å; V324-L408 HydrophobicContact CG2-CB 3.56Å; V324-L408 HydrophobicContact CG2-CD1 3.94Å; V324-L408 HydrophobicContact CG2-CG 4.24Å; L349-L408 HydrophobicContact CD1-CD2 3.9Å; L349-L408 HydrophobicContact CD1-CG 4.21Å; L349-L408 HydrophobicContact CD2-CD2 3.82Å; T404-L408 PolarHBondContact O-N 3.26Å; T404-L408 VanDerWaalsContact O-N 3.1Å; V405-L408 PolarHBondContact O-N 3.02Å; V405-L408 VanDerWaalsContact O-N 3.12Å; L408-A410 VanDerWaalsContact C-N 3.33Å; L408-A410 PolarHBondContact O-N 3.11Å; L408-K411 PolarHBondContact O-N 3.48Å; L408-I412 HydrophobicContact CD1-CD1 4.01Å; L408-I412 HydrophobicContact CD1-CG1 4.3Å; L408-I412 HydrophobicContact CG-CD1 3.93Å; L408-I412 VanDerWaalsContact O-CG1 3.3Å; L408-I412 WeakPolarHBondContact O-CG1 3.45Å; L408-I412 PolarHBondContact O-N 3.21Å |
| 409 | L | 93.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 177.3 | -71.6 | 174.9 | 0 | 0 | 0 | 111.4 | I346 L349 L350 V405 A406 I412 W413 Y425 L455 P459 | I346-L409 HydrophobicContact CD1-CD2 4.36Å; L349-L409 HydrophobicContact CB-CD2 3.95Å; L349-L409 HydrophobicContact CD1-CD2 3.78Å; L349-L409 HydrophobicContact CD1-CG 4.5Å; L350-L409 HydrophobicContact CD2-CD1 4.12Å; V405-L409 HydrophobicContact CG1-CD1 3.82Å; V405-L409 HydrophobicContact CG1-CG 4.2Å; V405-L409 WeakPolarHBondContact O-CG 3.34Å; V405-L409 PolarHBondContact O-N 3.25Å; A406-L409 PolarHBondContact O-N 3.35Å; L409-I412 PolarHBondContact O-N 2.93Å; L409-W413 WeakPolarHBondContact O-CB 3.3Å; L409-W413 PolarHBondContact O-N 2.92Å; L409-Y425 WeakPolarHBondContact CB-OH 3.28Å; L409-Y425 VanDerWaalsContact CD2-OH 3.3Å; L409-Y425 WeakPolarHBondContact CD2-OH 3.49Å; L409-Y425 PolarHBondContact O-OH 3.05Å; L409-L455 HydrophobicContact CD1-CD2 4.26Å; L409-P459 HydrophobicContact CB-CG 4.21Å |
| 410 | A | 90.2 | Very high | 88 | Confident | 16 Ų | 16 | 37 Ų | 37 | 13% | 0.132 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A406 C407 L408 I412 W413 D414 | A406-A410 WeakPolarHBondContact O-CB 3.3Å; A406-A410 PolarHBondContact O-N 3.27Å; C407-A410 PolarHBondContact O-N 3.02Å; L408-A410 VanDerWaalsContact C-N 3.33Å; L408-A410 PolarHBondContact O-N 3.11Å; A410-I412 VanDerWaalsContact C-N 3.34Å; A410-I412 PolarHBondContact O-N 3.44Å; A410-W413 WeakPolarHBondContact O-CB 3.41Å; A410-W413 PolarHBondContact O-N 3.32Å; A410-D414 WeakPolarHBondContact O-CB 3.34Å; A410-D414 PolarHBondContact O-N 3.3Å |
| 411 | K | 89.7 | Confident | 88.6 | Confident | 58 Ų | 58 | 36.4 Ų | 36.4 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.8 | -37.9 | -179.8 | -70.1 | -70.9 | 175 | -172.4 | 0 | 112.6 | P328 D330 C407 L408 D415 | P328-K411 HydrophobicContact CB-CB 3.9Å; P328-K411 HydrophobicContact CB-CD 4.24Å; P328-K411 HydrophobicContact CB-CG 4.36Å; P328-K411 HydrophobicContact CG-CB 3.47Å; P328-K411 VanDerWaalsContact CG-CB 3.47Å; P328-K411 HydrophobicContact CG-CD 4.34Å; P328-K411 HydrophobicContact CG-CG 3.95Å; D330-K411 IonicContact OD2-NZ 2.95Å; D330-K411 PolarHBondContact OD2-NZ 3.47Å; C407-K411 WeakPolarHBondContact O-CB 3.38Å; C407-K411 VanDerWaalsContact O-CG 3.23Å; C407-K411 WeakPolarHBondContact O-CG 3.17Å; C407-K411 PolarHBondContact O-N 2.98Å; L408-K411 PolarHBondContact O-N 3.48Å; K411-D415 PolarHBondContact O-N 3.02Å |
| 412 | I | 91.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -49 | 173.4 | -68.4 | 166.8 | 0 | 0 | 0 | 109.3 | L349 L408 L409 A410 D414 D415 L416 Y425 | L349-I412 HydrophobicContact CD1-CD1 4.19Å; L408-I412 HydrophobicContact CD1-CD1 4.01Å; L408-I412 HydrophobicContact CD1-CG1 4.3Å; L408-I412 HydrophobicContact CG-CD1 3.93Å; L408-I412 VanDerWaalsContact O-CG1 3.3Å; L408-I412 WeakPolarHBondContact O-CG1 3.45Å; L408-I412 PolarHBondContact O-N 3.21Å; L409-I412 PolarHBondContact O-N 2.93Å; A410-I412 VanDerWaalsContact C-N 3.34Å; A410-I412 PolarHBondContact O-N 3.44Å; I412-D414 PolarHBondContact O-N 3.49Å; I412-D415 PolarHBondContact O-N 3.02Å; I412-L416 WeakPolarHBondContact O-CG 3.06Å; I412-L416 PolarHBondContact O-N 3.4Å; I412-Y425 HydrophobicContact CG2-CD2 4.41Å; I412-Y425 HydrophobicContact CG2-CE2 4.05Å |
| 413 | W | 90.4 | Very high | 89.2 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.7 | -50.2 | 177.4 | 173.9 | -102.6 | 0 | 0 | 0 | 113.2 | L409 A410 D415 L416 R422 Y425 T426 P459 E461 V462 | L409-W413 WeakPolarHBondContact O-CB 3.3Å; L409-W413 PolarHBondContact O-N 2.92Å; A410-W413 WeakPolarHBondContact O-CB 3.41Å; A410-W413 PolarHBondContact O-N 3.32Å; W413-D415 PolarHBondContact O-N 3.11Å; W413-L416 HydrophobicContact CE3-CD1 4.42Å; W413-L416 WeakPolarHBondContact O-CB 3.44Å; W413-L416 PolarHBondContact O-N 2.94Å; W413-R422 HydrophobicContact CE3-CB 4.46Å; W413-R422 HydrophobicContact CE3-CG 4.24Å; W413-R422 HydrophobicContact CH2-CB 3.47Å; W413-R422 VanDerWaalsContact CH2-CB 3.47Å; W413-R422 HydrophobicContact CH2-CG 3.8Å; W413-R422 HydrophobicContact CZ2-CB 4.2Å; W413-R422 HydrophobicContact CZ2-CG 4.13Å; W413-R422 HydrophobicContact CZ3-CB 3.63Å; W413-R422 HydrophobicContact CZ3-CG 3.86Å; W413-R422 WeakPolarHBondContact CZ3-O 3.13Å; W413-Y425 HydrophobicContact CD2-CD1 4.43Å; W413-Y425 AromaticContact CE3-CD1 3.33Å; W413-Y425 HydrophobicContact CE3-CD1 3.33Å; W413-Y425 AromaticContact CE3-CE1 3.86Å; W413-Y425 HydrophobicContact CE3-CE1 3.86Å; W413-Y425 AromaticContact CE3-CG 3.78Å; W413-Y425 HydrophobicContact CE3-CG 3.78Å; W413-Y425 AromaticContact CZ3-CD1 3.63Å; W413-Y425 HydrophobicContact CZ3-CD1 3.63Å; W413-Y425 HydrophobicContact CZ3-CE1 4.47Å; W413-Y425 HydrophobicContact CZ3-CG 4.09Å; W413-T426 VanDerWaalsContact CH2-OG1 3.28Å; W413-T426 WeakPolarHBondContact CH2-OG1 2.95Å; W413-T426 WeakPolarHBondContact CZ3-OG1 3.14Å; W413-P459 HydrophobicContact CB-CB 3.92Å; W413-P459 HydrophobicContact CG-CB 3.92Å; W413-E461 PolarHBondContact NE1-OE2 3Å; W413-V462 HydrophobicContact CD2-CG2 4.04Å; W413-V462 HydrophobicContact CE3-CG2 3.86Å; W413-V462 HydrophobicContact CH2-CG2 3.8Å; W413-V462 HydrophobicContact CZ2-CG2 4.05Å; W413-V462 HydrophobicContact CZ3-CG2 3.7Å |
| 414 | D | 88.4 | Confident | 89.5 | Confident | 94 Ų | 94 | 46.9 Ų | 46.9 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -35.4 | -177.9 | -70.2 | -19.7 | 0 | 0 | 0 | 112 | A410 I412 L416 | A410-D414 WeakPolarHBondContact O-CB 3.34Å; A410-D414 PolarHBondContact O-N 3.3Å; I412-D414 PolarHBondContact O-N 3.49Å; D414-L416 VanDerWaalsContact C-N 3.34Å |
| 415 | D | 88.7 | Confident | 89.9 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.7 | -16 | 178.4 | -77.7 | -13.8 | 0 | 0 | 0 | 114.2 | P328 S329 S336 K411 I412 W413 T417 | P328-D415 WeakPolarHBondContact CA-OD2 3.41Å; S329-D415 VanDerWaalsContact CB-OD1 3.29Å; S329-D415 WeakPolarHBondContact CB-OD1 3.49Å; S329-D415 PolarHBondContact N-OD1 3.25Å; S329-D415 PolarHBondContact N-OD2 3.15Å; S329-D415 PolarHBondContact OG-OD1 3.46Å; S336-D415 VanDerWaalsContact CB-CB 3.47Å; S336-D415 VanDerWaalsContact CB-OD2 3.26Å; S336-D415 WeakPolarHBondContact CB-OD2 3.38Å; S336-D415 PolarHBondContact OG-OD2 3.32Å; K411-D415 PolarHBondContact O-N 3.02Å; I412-D415 PolarHBondContact O-N 3.02Å; W413-D415 PolarHBondContact O-N 3.11Å; D415-T417 PolarHBondContact O-N 2.7Å; D415-T417 VanDerWaalsContact O-N 3.11Å |
| 416 | L | 89.3 | Confident | 89.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | trans | -72.8 | 104.6 | 173.8 | -61.8 | -179.9 | 0 | 0 | 0 | 108.2 | Q337 F340 I412 W413 D414 R422 Y425 | Q337-L416 HydrophobicContact CG-CD2 4.33Å; F340-L416 HydrophobicContact CB-CD2 4.35Å; F340-L416 HydrophobicContact CD1-CD2 4.12Å; F340-L416 HydrophobicContact CG-CD2 4.18Å; I412-L416 WeakPolarHBondContact O-CG 3.06Å; I412-L416 PolarHBondContact O-N 3.4Å; W413-L416 HydrophobicContact CE3-CD1 4.42Å; W413-L416 WeakPolarHBondContact O-CB 3.44Å; W413-L416 PolarHBondContact O-N 2.94Å; D414-L416 VanDerWaalsContact C-N 3.34Å; L416-R422 HydrophobicContact CB-CG 3.85Å; L416-R422 VanDerWaalsContact O-CZ 3.27Å; L416-R422 PolarHBondContact O-NE 3.31Å; L416-R422 PolarHBondContact O-NH2 2.87Å; L416-R422 VanDerWaalsContact O-NH2 3.15Å; L416-Y425 HydrophobicContact CD1-CD2 3.95Å; L416-Y425 HydrophobicContact CD1-CG 4.05Å | ||
| 417 | T | 84 | Confident | 90.1 | Very high | 111 Ų | 111 | 55 Ų | 55 | 68% | 0.681 | 28% | 0.283 | S | S | * | . | trans | -89.1 | -16.7 | -178.4 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | Q337 D415 | Q337-T417 PolarHBondContact NE2-OG1 3.36Å; D415-T417 PolarHBondContact O-N 2.7Å; D415-T417 VanDerWaalsContact O-N 3.11Å | ||
| 418 | S | 87.6 | Confident | 90.3 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -94.1 | 129.9 | -179.5 | 172.3 | 0 | 0 | 0 | 0 | 110 | K420 S421 R422 | S418-K420 PolarHBondContact O-N 2.7Å; S418-K420 PolarHBondContact OG-N 3.34Å; S418-S421 WeakPolarHBondContact CB-OG 3.5Å; S418-S421 PolarHBondContact O-N 3.36Å; S418-S421 PolarHBondContact O-OG 3.43Å; S418-R422 PolarHBondContact O-N 3.1Å; S418-R422 VanDerWaalsContact O-N 3.08Å |
| 419 | D | 88.2 | Confident | 90.5 | Very high | 118 Ų | 118 | 55.9 Ų | 55.9 | 63% | 0.631 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -53.8 | -44.6 | 174.7 | -61.4 | -23 | 0 | 0 | 0 | 110.9 | S421 R422 D423 | D419-S421 VanDerWaalsContact C-N 3.32Å; D419-S421 PolarHBondContact O-N 3.2Å; D419-R422 CarbonylContact O-C 3.55Å; D419-R422 WeakPolarHBondContact O-CA 3.48Å; D419-R422 WeakPolarHBondContact O-CB 3.22Å; D419-R422 PolarHBondContact O-N 3.46Å; D419-D423 VanDerWaalsContact O-CG 3.31Å; D419-D423 PolarHBondContact O-N 3.01Å |
| 420 | K | 90.1 | Very high | 90.4 | Very high | 159 Ų | 159 | 59.2 Ų | 59.2 | 69% | 0.691 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -52.9 | -42.8 | 174.7 | -174.6 | 178.9 | 177.9 | -179.1 | 0 | 114.3 | S418 E424 | S418-K420 PolarHBondContact O-N 2.7Å; S418-K420 PolarHBondContact OG-N 3.34Å; K420-E424 WeakPolarHBondContact O-CB 3.34Å; K420-E424 PolarHBondContact O-N 2.99Å |
| 421 | S | 89.3 | Confident | 90.4 | Very high | 18 Ų | 18 | 61.7 Ų | 61.7 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.5 | -32 | 178.8 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | S418 D419 Y425 | S418-S421 WeakPolarHBondContact CB-OG 3.5Å; S418-S421 PolarHBondContact O-N 3.36Å; S418-S421 PolarHBondContact O-OG 3.43Å; D419-S421 VanDerWaalsContact C-N 3.32Å; D419-S421 PolarHBondContact O-N 3.2Å; S421-Y425 WeakPolarHBondContact O-CB 3.42Å; S421-Y425 PolarHBondContact O-N 3.21Å |
| 422 | R | 92 | Very high | 90.5 | Very high | 77 Ų | 77 | 59.3 Ų | 59.3 | 29% | 0.291 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 172.7 | -75.4 | -174.9 | 178.2 | 179.9 | -3 | 111.2 | W413 L416 S418 D419 Y425 T426 | W413-R422 HydrophobicContact CE3-CB 4.46Å; W413-R422 HydrophobicContact CE3-CG 4.24Å; W413-R422 HydrophobicContact CH2-CB 3.47Å; W413-R422 VanDerWaalsContact CH2-CB 3.47Å; W413-R422 HydrophobicContact CH2-CG 3.8Å; W413-R422 HydrophobicContact CZ2-CB 4.2Å; W413-R422 HydrophobicContact CZ2-CG 4.13Å; W413-R422 HydrophobicContact CZ3-CB 3.63Å; W413-R422 HydrophobicContact CZ3-CG 3.86Å; W413-R422 WeakPolarHBondContact CZ3-O 3.13Å; L416-R422 HydrophobicContact CB-CG 3.85Å; L416-R422 VanDerWaalsContact O-CZ 3.27Å; L416-R422 PolarHBondContact O-NE 3.31Å; L416-R422 PolarHBondContact O-NH2 2.87Å; L416-R422 VanDerWaalsContact O-NH2 3.15Å; S418-R422 PolarHBondContact O-N 3.1Å; S418-R422 VanDerWaalsContact O-N 3.08Å; D419-R422 CarbonylContact O-C 3.55Å; D419-R422 WeakPolarHBondContact O-CA 3.48Å; D419-R422 WeakPolarHBondContact O-CB 3.22Å; D419-R422 PolarHBondContact O-N 3.46Å; R422-Y425 PolarHBondContact O-N 3.16Å; R422-T426 WeakPolarHBondContact O-CB 3.33Å; R422-T426 PolarHBondContact O-N 3.29Å; R422-T426 PolarHBondContact O-OG1 3.49Å |
| 423 | D | 91.8 | Very high | 90.4 | Very high | 110 Ų | 110 | 59.3 Ų | 59.3 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 174.7 | -66.2 | -25.6 | 0 | 0 | 0 | 111.1 | D419 T426 K427 | D419-D423 VanDerWaalsContact O-CG 3.31Å; D419-D423 PolarHBondContact O-N 3.01Å; D423-T426 PolarHBondContact O-N 2.91Å; D423-K427 VanDerWaalsContact O-CB 3.25Å; D423-K427 WeakPolarHBondContact O-CB 3.37Å; D423-K427 PolarHBondContact O-N 3.41Å |
| 424 | E | 91.4 | Very high | 90.3 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.2 | -173.2 | 174.6 | -161.4 | 0 | 0 | 112 | F340 K420 T426 K427 I428 | F340-E424 HydrophobicContact CE1-CB 4.41Å; F340-E424 HydrophobicContact CE1-CG 4.31Å; F340-E424 HydrophobicContact CZ-CB 3.98Å; F340-E424 HydrophobicContact CZ-CG 3.84Å; K420-E424 WeakPolarHBondContact O-CB 3.34Å; K420-E424 PolarHBondContact O-N 2.99Å; E424-T426 PolarHBondContact O-N 2.98Å; E424-K427 PolarHBondContact O-N 2.76Å; E424-I428 HydrophobicContact CG-CD1 4.34Å; E424-I428 WeakPolarHBondContact O-CG1 3.39Å; E424-I428 PolarHBondContact O-N 3.48Å |
| 425 | Y | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 175.2 | -179.7 | -76.4 | 0 | 0 | 0 | 112.1 | F340 I346 L409 I412 W413 L416 S421 R422 K427 I428 C429 P459 V462 | F340-Y425 HydrophobicContact CD2-CD2 4.03Å; F340-Y425 AromaticContact CE2-CD2 3.8Å; F340-Y425 HydrophobicContact CE2-CD2 3.8Å; F340-Y425 HydrophobicContact CE2-CG 4.26Å; I346-Y425 HydrophobicContact CD1-CD2 4.03Å; I346-Y425 HydrophobicContact CD1-CE2 3.58Å; I346-Y425 HydrophobicContact CG1-CD2 4.26Å; I346-Y425 HydrophobicContact CG1-CE2 4.2Å; L409-Y425 WeakPolarHBondContact CB-OH 3.28Å; L409-Y425 VanDerWaalsContact CD2-OH 3.3Å; L409-Y425 WeakPolarHBondContact CD2-OH 3.49Å; L409-Y425 PolarHBondContact O-OH 3.05Å; I412-Y425 HydrophobicContact CG2-CD2 4.41Å; I412-Y425 HydrophobicContact CG2-CE2 4.05Å; W413-Y425 HydrophobicContact CD2-CD1 4.43Å; W413-Y425 AromaticContact CE3-CD1 3.33Å; W413-Y425 HydrophobicContact CE3-CD1 3.33Å; W413-Y425 AromaticContact CE3-CE1 3.86Å; W413-Y425 HydrophobicContact CE3-CE1 3.86Å; W413-Y425 AromaticContact CE3-CG 3.78Å; W413-Y425 HydrophobicContact CE3-CG 3.78Å; W413-Y425 AromaticContact CZ3-CD1 3.63Å; W413-Y425 HydrophobicContact CZ3-CD1 3.63Å; W413-Y425 HydrophobicContact CZ3-CE1 4.47Å; W413-Y425 HydrophobicContact CZ3-CG 4.09Å; L416-Y425 HydrophobicContact CD1-CD2 3.95Å; L416-Y425 HydrophobicContact CD1-CG 4.05Å; S421-Y425 WeakPolarHBondContact O-CB 3.42Å; S421-Y425 PolarHBondContact O-N 3.21Å; R422-Y425 PolarHBondContact O-N 3.16Å; Y425-K427 VanDerWaalsContact C-N 3.3Å; Y425-K427 PolarHBondContact O-N 3.17Å; Y425-I428 PolarHBondContact O-N 2.97Å; Y425-C429 VanDerWaalsContact CE1-SG 3.58Å; Y425-C429 PolarHBondContact O-N 3.49Å; Y425-C429 VanDerWaalsContact O-N 3.14Å; Y425-C429 PolarHBondContact O-SG 3.17Å; Y425-P459 HydrophobicContact CE1-CG 4.35Å; Y425-V462 HydrophobicContact CD1-CG2 4.1Å; Y425-V462 HydrophobicContact CE1-CG2 4.06Å |
| 426 | T | 92.2 | Very high | 90.1 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | W413 R422 D423 E424 C429 K430 V462 | W413-T426 VanDerWaalsContact CH2-OG1 3.28Å; W413-T426 WeakPolarHBondContact CH2-OG1 2.95Å; W413-T426 WeakPolarHBondContact CZ3-OG1 3.14Å; R422-T426 WeakPolarHBondContact O-CB 3.33Å; R422-T426 PolarHBondContact O-N 3.29Å; R422-T426 PolarHBondContact O-OG1 3.49Å; D423-T426 PolarHBondContact O-N 2.91Å; E424-T426 PolarHBondContact O-N 2.98Å; T426-C429 PolarHBondContact O-N 3.11Å; T426-K430 VanDerWaalsContact O-CB 3.27Å; T426-K430 WeakPolarHBondContact O-CB 3.5Å; T426-K430 PolarHBondContact O-N 3.44Å; T426-V462 HydrophobicContact CG2-CG1 4.33Å |
| 427 | K | 92.5 | Very high | 89.9 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.5 | -47.1 | 176.9 | -174.2 | -177.8 | 177.1 | -170 | 0 | 111.9 | D423 E424 Y425 C429 K430 D431 | D423-K427 VanDerWaalsContact O-CB 3.25Å; D423-K427 WeakPolarHBondContact O-CB 3.37Å; D423-K427 PolarHBondContact O-N 3.41Å; E424-K427 PolarHBondContact O-N 2.76Å; Y425-K427 VanDerWaalsContact C-N 3.3Å; Y425-K427 PolarHBondContact O-N 3.17Å; K427-C429 VanDerWaalsContact C-N 3.33Å; K427-C429 PolarHBondContact O-N 3.46Å; K427-K430 PolarHBondContact O-N 2.91Å; K427-D431 VanDerWaalsContact CE-OD2 3.3Å; K427-D431 WeakPolarHBondContact CE-OD2 3.46Å; K427-D431 WeakPolarHBondContact CG-OD2 3.46Å; K427-D431 WeakPolarHBondContact O-CB 3.4Å; K427-D431 VanDerWaalsContact O-CG 3.23Å; K427-D431 PolarHBondContact O-N 3.43Å |
| 428 | I | 92.6 | Very high | 89.8 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 177.1 | -66 | 161.6 | 0 | 0 | 0 | 110.6 | F340 I346 E424 Y425 K430 F432 | F340-I428 HydrophobicContact CE2-CD1 4.09Å; F340-I428 HydrophobicContact CZ-CD1 4.34Å; I346-I428 HydrophobicContact CB-CG2 4Å; I346-I428 HydrophobicContact CG2-CG2 3.86Å; E424-I428 HydrophobicContact CG-CD1 4.34Å; E424-I428 WeakPolarHBondContact O-CG1 3.39Å; E424-I428 PolarHBondContact O-N 3.48Å; Y425-I428 PolarHBondContact O-N 2.97Å; I428-K430 VanDerWaalsContact C-N 3.34Å; I428-K430 PolarHBondContact O-N 3.2Å; I428-F432 WeakPolarHBondContact O-CB 3.28Å; I428-F432 PolarHBondContact O-N 2.88Å; I428-F432 VanDerWaalsContact O-N 3.09Å |
| 429 | C | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 177.5 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | Y425 T426 K427 I433 L455 V462 I466 | Y425-C429 VanDerWaalsContact CE1-SG 3.58Å; Y425-C429 PolarHBondContact O-N 3.49Å; Y425-C429 VanDerWaalsContact O-N 3.14Å; Y425-C429 PolarHBondContact O-SG 3.17Å; T426-C429 PolarHBondContact O-N 3.11Å; K427-C429 VanDerWaalsContact C-N 3.33Å; K427-C429 PolarHBondContact O-N 3.46Å; C429-I433 WeakPolarHBondContact O-CG1 3.32Å; C429-I433 PolarHBondContact O-N 3.35Å; C429-I433 VanDerWaalsContact O-N 3.17Å; C429-L455 HydrophobicContact CB-CD1 4.34Å; C429-V462 HydrophobicContact CB-CG1 3.82Å; C429-I466 HydrophobicContact CB-CD1 3.98Å |
| 430 | K | 90.7 | Very high | 89 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -53.2 | 179.3 | 177.1 | -173.3 | 174.5 | 159 | 0 | 111.1 | T426 K427 I428 F432 I433 I434 I466 Q469 | T426-K430 VanDerWaalsContact O-CB 3.27Å; T426-K430 WeakPolarHBondContact O-CB 3.5Å; T426-K430 PolarHBondContact O-N 3.44Å; K427-K430 PolarHBondContact O-N 2.91Å; I428-K430 VanDerWaalsContact C-N 3.34Å; I428-K430 PolarHBondContact O-N 3.2Å; K430-F432 VanDerWaalsContact C-N 3.27Å; K430-F432 PolarHBondContact O-N 3.17Å; K430-I433 PolarHBondContact O-N 3.28Å; K430-I433 VanDerWaalsContact O-N 3.1Å; K430-I434 HydrophobicContact CD-CD1 4.2Å; K430-I434 HydrophobicContact CG-CD1 3.67Å; K430-I434 HydrophobicContact CG-CG1 4.33Å; K430-I434 WeakPolarHBondContact O-CG1 3.49Å; K430-I434 PolarHBondContact O-N 2.94Å; K430-I466 HydrophobicContact CB-CD1 4.35Å; K430-I466 HydrophobicContact CB-CG1 4.34Å; K430-Q469 VanDerWaalsContact CD-NE2 3.3Å |
| 431 | D | 90.8 | Very high | 88.4 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | -176.9 | -67.3 | -9.2 | 0 | 0 | 0 | 109.6 | K427 I433 I434 E435 | K427-D431 VanDerWaalsContact CE-OD2 3.3Å; K427-D431 WeakPolarHBondContact CE-OD2 3.46Å; K427-D431 WeakPolarHBondContact CG-OD2 3.46Å; K427-D431 WeakPolarHBondContact O-CB 3.4Å; K427-D431 VanDerWaalsContact O-CG 3.23Å; K427-D431 PolarHBondContact O-N 3.43Å; D431-I433 PolarHBondContact O-N 2.89Å; D431-I434 PolarHBondContact O-N 3.47Å; D431-E435 WeakPolarHBondContact O-CB 3.32Å; D431-E435 WeakPolarHBondContact O-CG 3.28Å; D431-E435 PolarHBondContact O-N 3.4Å |
| 432 | F | 91.4 | Very high | 87.9 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 175.1 | -173 | -85 | 0 | 0 | 0 | 113.6 | L350 E351 I428 K430 L436 V451 | L350-F432 HydrophobicContact CB-CD1 3.95Å; L350-F432 HydrophobicContact CB-CD2 4.3Å; L350-F432 HydrophobicContact CB-CE1 3.64Å; L350-F432 HydrophobicContact CB-CE2 4Å; L350-F432 HydrophobicContact CB-CG 4.26Å; L350-F432 HydrophobicContact CB-CZ 3.64Å; L350-F432 HydrophobicContact CD1-CB 3.9Å; L350-F432 HydrophobicContact CD1-CD1 3.95Å; L350-F432 HydrophobicContact CD1-CD2 4.19Å; L350-F432 HydrophobicContact CD1-CE1 4.5Å; L350-F432 HydrophobicContact CD1-CG 3.77Å; E351-F432 HydrophobicContact CG-CE2 4.26Å; E351-F432 HydrophobicContact CG-CZ 4.25Å; I428-F432 WeakPolarHBondContact O-CB 3.28Å; I428-F432 PolarHBondContact O-N 2.88Å; I428-F432 VanDerWaalsContact O-N 3.09Å; K430-F432 VanDerWaalsContact C-N 3.27Å; K430-F432 PolarHBondContact O-N 3.17Å; F432-L436 HydrophobicContact CD1-CD1 3.99Å; F432-L436 HydrophobicContact CE1-CD1 3.7Å; F432-L436 WeakPolarHBondContact O-CG 3.38Å; F432-L436 PolarHBondContact O-N 3.07Å; F432-V451 HydrophobicContact CE1-CG2 4.04Å |
| 433 | I | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.9 | -39.2 | 179.8 | -73.8 | 166.3 | 0 | 0 | 0 | 111.4 | C429 K430 D431 L436 F437 A448 V451 I452 L455 I466 | C429-I433 WeakPolarHBondContact O-CG1 3.32Å; C429-I433 PolarHBondContact O-N 3.35Å; C429-I433 VanDerWaalsContact O-N 3.17Å; K430-I433 PolarHBondContact O-N 3.28Å; K430-I433 VanDerWaalsContact O-N 3.1Å; D431-I433 PolarHBondContact O-N 2.89Å; I433-L436 WeakPolarHBondContact O-CB 3.38Å; I433-L436 PolarHBondContact O-N 3.37Å; I433-F437 HydrophobicContact CG2-CD2 3.76Å; I433-F437 HydrophobicContact CG2-CE2 3.8Å; I433-F437 WeakPolarHBondContact O-CD2 3.5Å; I433-F437 PolarHBondContact O-N 2.88Å; I433-A448 HydrophobicContact CG2-CB 4.45Å; I433-V451 HydrophobicContact CD1-CG1 3.94Å; I433-V451 HydrophobicContact CG1-CB 4.41Å; I433-V451 HydrophobicContact CG1-CG1 3.97Å; I433-I452 HydrophobicContact CD1-CG1 3.85Å; I433-I452 HydrophobicContact CG2-CD1 4.12Å; I433-I452 HydrophobicContact CG2-CG1 4.28Å; I433-L455 HydrophobicContact CD1-CD1 3.64Å; I433-I466 HydrophobicContact CD1-CD1 3.84Å; I433-I466 HydrophobicContact CD1-CG2 4Å; I433-I466 HydrophobicContact CG2-CG2 4.08Å |
| 434 | I | 87.8 | Confident | 86.8 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 35% | 0.354 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 177.6 | -69.3 | 176.2 | 0 | 0 | 0 | 110.2 | K430 D431 L436 F437 A438 | K430-I434 HydrophobicContact CD-CD1 4.2Å; K430-I434 HydrophobicContact CG-CD1 3.67Å; K430-I434 HydrophobicContact CG-CG1 4.33Å; K430-I434 WeakPolarHBondContact O-CG1 3.49Å; K430-I434 PolarHBondContact O-N 2.94Å; D431-I434 PolarHBondContact O-N 3.47Å; I434-L436 PolarHBondContact O-N 2.96Å; I434-F437 PolarHBondContact O-N 3.44Å; I434-A438 VanDerWaalsContact O-CB 3.24Å; I434-A438 WeakPolarHBondContact O-CB 3.17Å; I434-A438 PolarHBondContact O-N 2.83Å |
| 435 | E | 87.3 | Confident | 86.5 | Confident | 139 Ų | 139 | 54 Ų | 54 | 65% | 0.65 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -56.7 | -34.3 | 173.6 | -77.2 | -176 | -173.3 | 0 | 0 | 112.5 | D431 D439 | D431-E435 WeakPolarHBondContact O-CB 3.32Å; D431-E435 WeakPolarHBondContact O-CG 3.28Å; D431-E435 PolarHBondContact O-N 3.4Å; E435-D439 PolarHBondContact O-N 3.1Å |
| 436 | L | 86.6 | Confident | 86 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.4 | -39.6 | 176.7 | -79.1 | 175.8 | 0 | 0 | 0 | 113.7 | R368 F432 I433 I434 S444 E447 A448 V451 | R368-L436 VanDerWaalsContact NH2-CD2 3.32Å; F432-L436 HydrophobicContact CD1-CD1 3.99Å; F432-L436 HydrophobicContact CE1-CD1 3.7Å; F432-L436 WeakPolarHBondContact O-CG 3.38Å; F432-L436 PolarHBondContact O-N 3.07Å; I433-L436 WeakPolarHBondContact O-CB 3.38Å; I433-L436 PolarHBondContact O-N 3.37Å; I434-L436 PolarHBondContact O-N 2.96Å; L436-S444 CarbonylContact O-C 3.27Å; L436-S444 VanDerWaalsContact O-CB 3.28Å; L436-S444 WeakPolarHBondContact O-CB 3.46Å; L436-E447 HydrophobicContact CD1-CB 4.06Å; L436-E447 HydrophobicContact CD2-CB 4.05Å; L436-A448 HydrophobicContact CB-CB 3.78Å; L436-A448 HydrophobicContact CD1-CB 4.24Å; L436-V451 HydrophobicContact CD1-CG2 4.46Å |
| 437 | F | 83.8 | Confident | 85.8 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.5 | -31.8 | 176 | -84.9 | -69.6 | 0 | 0 | 0 | 113 | I433 I434 D439 K445 A448 I452 V472 L476 | I433-F437 HydrophobicContact CG2-CD2 3.76Å; I433-F437 HydrophobicContact CG2-CE2 3.8Å; I433-F437 WeakPolarHBondContact O-CD2 3.5Å; I433-F437 PolarHBondContact O-N 2.88Å; I434-F437 PolarHBondContact O-N 3.44Å; F437-D439 PolarHBondContact O-N 3.09Å; F437-K445 HydrophobicContact CD1-CB 4.16Å; F437-K445 HydrophobicContact CD1-CG 3.94Å; F437-K445 HydrophobicContact CE1-CB 4.17Å; F437-K445 HydrophobicContact CE1-CG 4.42Å; F437-A448 HydrophobicContact CD1-CB 4.48Å; F437-A448 HydrophobicContact CD2-CB 3.66Å; F437-A448 HydrophobicContact CE1-CB 4.26Å; F437-A448 HydrophobicContact CE2-CB 3.39Å; F437-A448 HydrophobicContact CG-CB 4.21Å; F437-A448 HydrophobicContact CZ-CB 3.72Å; F437-I452 HydrophobicContact CE2-CD1 3.82Å; F437-I452 HydrophobicContact CZ-CD1 4.21Å; F437-V472 HydrophobicContact CE2-CG1 3.95Å; F437-V472 HydrophobicContact CZ-CG1 4.44Å; F437-L476 HydrophobicContact CZ-CD2 4.45Å |
| 438 | A | 82.9 | Confident | 85.6 | Confident | 70 Ų | 70 | 46.3 Ų | 46.3 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -71.7 | -15.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I434 | I434-A438 VanDerWaalsContact O-CB 3.24Å; I434-A438 WeakPolarHBondContact O-CB 3.17Å; I434-A438 PolarHBondContact O-N 2.83Å |
| 439 | D | 80.5 | Confident | 85.4 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -69.9 | 143 | 175.1 | -164.5 | 6.7 | 0 | 0 | 0 | 111 | E435 F437 Y441 S444 | E435-D439 PolarHBondContact O-N 3.1Å; F437-D439 PolarHBondContact O-N 3.09Å; D439-Y441 PolarHBondContact O-N 3.44Å; D439-Y441 VanDerWaalsContact OD1-CD2 3.32Å; D439-Y441 WeakPolarHBondContact OD1-CD2 3.3Å; D439-S444 WeakPolarHBondContact OD2-CB 3.37Å; D439-S444 PolarHBondContact OD2-OG 2.82Å |
| 440 | N | 77.8 | Confident | 85.2 | Confident | 143 Ų | 143 | 44.2 Ų | 44.2 | 77% | 0.765 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -71.3 | -14.9 | -175.5 | -71 | -37.5 | 0 | 0 | 0 | 112.7 | ||
| 441 | Y | 77.8 | Confident | 85.2 | Confident | 129 Ų | 129 | 40.8 Ų | 40.8 | 51% | 0.506 | 21% | 0.209 | S | C | . | . | trans | -85.5 | 132.4 | -177.6 | -62.2 | -73.3 | 0 | 0 | 0 | 111.5 | D439 E443 S444 | D439-Y441 PolarHBondContact O-N 3.44Å; D439-Y441 VanDerWaalsContact OD1-CD2 3.32Å; D439-Y441 WeakPolarHBondContact OD1-CD2 3.3Å; Y441-E443 PolarHBondContact O-N 3.33Å; Y441-S444 PolarHBondContact O-N 3.1Å | ||
| 442 | I | 78.8 | Confident | 85.2 | Confident | 61 Ų | 61 | 37.7 Ų | 37.7 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.2 | -29 | 175.2 | -165.1 | 162 | 0 | 0 | 0 | 111.4 | S444 K445 V446 L479 Y487 | I442-S444 VanDerWaalsContact C-N 3.3Å; I442-S444 PolarHBondContact O-N 3.43Å; I442-K445 WeakPolarHBondContact O-CB 3.41Å; I442-K445 PolarHBondContact O-N 3.39Å; I442-K445 VanDerWaalsContact O-N 3.14Å; I442-V446 PolarHBondContact O-N 3.1Å; I442-V446 VanDerWaalsContact O-N 3.1Å; I442-L479 HydrophobicContact CD1-CD2 4.37Å; I442-L479 HydrophobicContact CG1-CD2 3.99Å; I442-Y487 HydrophobicContact CD1-CD2 4.19Å; I442-Y487 HydrophobicContact CD1-CE2 4.4Å; I442-Y487 HydrophobicContact CG1-CD2 4.33Å; I442-Y487 HydrophobicContact CG1-CE2 4.38Å; I442-Y487 HydrophobicContact CG2-CD2 4.47Å; I442-Y487 HydrophobicContact CG2-CE2 3.71Å |
| 443 | E | 78.8 | Confident | 85 | Confident | 57 Ų | 57 | 37.2 Ų | 37.2 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59 | -40.9 | 175.4 | -66.5 | 76.4 | -170.8 | 0 | 0 | 111.5 | W364 Y441 K445 V446 E447 Y487 | W364-E443 HydrophobicContact CH2-CB 4.3Å; W364-E443 WeakPolarHBondContact CH2-O 3.25Å; W364-E443 HydrophobicContact CZ2-CB 3.94Å; W364-E443 WeakPolarHBondContact CZ2-O 3.45Å; Y441-E443 PolarHBondContact O-N 3.33Å; E443-K445 VanDerWaalsContact C-N 3.31Å; E443-K445 PolarHBondContact O-N 3.07Å; E443-V446 CarbonylContact O-C 3.59Å; E443-V446 WeakPolarHBondContact O-CA 3.46Å; E443-V446 WeakPolarHBondContact O-CB 3.36Å; E443-V446 PolarHBondContact O-N 3.49Å; E443-V446 VanDerWaalsContact O-N 3.11Å; E443-E447 WeakPolarHBondContact O-CG 3.4Å; E443-E447 PolarHBondContact O-N 3.16Å; E443-Y487 PolarHBondContact OE1-OH 3.33Å |
| 444 | S | 82.9 | Confident | 85 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | 177.6 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | L436 D439 Y441 I442 V446 E447 A448 | L436-S444 CarbonylContact O-C 3.27Å; L436-S444 VanDerWaalsContact O-CB 3.28Å; L436-S444 WeakPolarHBondContact O-CB 3.46Å; D439-S444 WeakPolarHBondContact OD2-CB 3.37Å; D439-S444 PolarHBondContact OD2-OG 2.82Å; Y441-S444 PolarHBondContact O-N 3.1Å; I442-S444 VanDerWaalsContact C-N 3.3Å; I442-S444 PolarHBondContact O-N 3.43Å; S444-V446 VanDerWaalsContact C-N 3.32Å; S444-V446 PolarHBondContact O-N 3.4Å; S444-E447 WeakPolarHBondContact O-CB 3.36Å; S444-E447 PolarHBondContact O-N 3.12Å; S444-A448 PolarHBondContact O-N 2.97Å |
| 445 | K | 83.9 | Confident | 85.1 | Confident | 30 Ų | 30 | 34 Ų | 34 | 13% | 0.13 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -34.2 | 172.4 | -59.2 | 173.8 | 178 | 145.4 | 0 | 111.7 | F437 I442 E443 A448 A449 L479 F590 | F437-K445 HydrophobicContact CD1-CB 4.16Å; F437-K445 HydrophobicContact CD1-CG 3.94Å; F437-K445 HydrophobicContact CE1-CB 4.17Å; F437-K445 HydrophobicContact CE1-CG 4.42Å; I442-K445 WeakPolarHBondContact O-CB 3.41Å; I442-K445 PolarHBondContact O-N 3.39Å; I442-K445 VanDerWaalsContact O-N 3.14Å; E443-K445 VanDerWaalsContact C-N 3.31Å; E443-K445 PolarHBondContact O-N 3.07Å; K445-A448 WeakPolarHBondContact O-CB 3.14Å; K445-A448 PolarHBondContact O-N 2.71Å; K445-A449 PolarHBondContact O-N 3.39Å; K445-L479 HydrophobicContact CB-CD1 4.26Å; K445-L479 HydrophobicContact CB-CD2 4.28Å; K445-F590 HydrophobicContact CD-CE2 4.4Å |
| 446 | V | 84.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.5 | -36.6 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | I358 W364 I442 E443 S444 A448 A449 S450 L479 Y487 I490 | I358-V446 HydrophobicContact CD1-CG1 4.39Å; I358-V446 HydrophobicContact CG1-CG1 4.34Å; W364-V446 HydrophobicContact CH2-CB 3.77Å; W364-V446 HydrophobicContact CH2-CG1 3.68Å; W364-V446 HydrophobicContact CZ3-CB 4.17Å; W364-V446 HydrophobicContact CZ3-CG1 3.69Å; I442-V446 PolarHBondContact O-N 3.1Å; I442-V446 VanDerWaalsContact O-N 3.1Å; E443-V446 CarbonylContact O-C 3.59Å; E443-V446 WeakPolarHBondContact O-CA 3.46Å; E443-V446 WeakPolarHBondContact O-CB 3.36Å; E443-V446 PolarHBondContact O-N 3.49Å; E443-V446 VanDerWaalsContact O-N 3.11Å; S444-V446 VanDerWaalsContact C-N 3.32Å; S444-V446 PolarHBondContact O-N 3.4Å; V446-A448 VanDerWaalsContact C-N 3.3Å; V446-A448 PolarHBondContact O-N 3.47Å; V446-A449 PolarHBondContact O-N 3.37Å; V446-S450 PolarHBondContact O-N 3.32Å; V446-L479 HydrophobicContact CG2-CD1 4.47Å; V446-L479 HydrophobicContact CG2-CD2 4.01Å; V446-Y487 HydrophobicContact CG1-CD1 4.48Å; V446-Y487 HydrophobicContact CG2-CD1 3.73Å; V446-Y487 HydrophobicContact CG2-CD2 4.42Å; V446-Y487 HydrophobicContact CG2-CE1 4.27Å; V446-Y487 HydrophobicContact CG2-CG 3.82Å; V446-I490 HydrophobicContact CG1-CB 4.2Å; V446-I490 HydrophobicContact CG1-CD1 3.45Å; V446-I490 VanDerWaalsContact CG1-CD1 3.45Å; V446-I490 HydrophobicContact CG1-CG1 4.42Å; V446-I490 HydrophobicContact CG1-CG2 4.04Å |
| 447 | E | 86.9 | Confident | 84.9 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 169.2 | -60.4 | -171.4 | 174.7 | 0 | 0 | 110.7 | C354 I358 W364 S366 R368 L436 E443 S444 S450 V451 | C354-E447 HydrophobicContact CB-CB 4.21Å; C354-E447 HydrophobicContact CB-CG 4.45Å; I358-E447 HydrophobicContact CD1-CB 4.26Å; I358-E447 HydrophobicContact CD1-CG 3.8Å; W364-E447 HydrophobicContact CH2-CG 4Å; W364-E447 HydrophobicContact CZ2-CG 3.46Å; W364-E447 VanDerWaalsContact CZ2-CG 3.46Å; S366-E447 WeakPolarHBondContact CB-OE1 3.39Å; S366-E447 PolarHBondContact OG-OE1 3.26Å; R368-E447 IonicContact CZ-OE2 3.57Å; R368-E447 IonicContact NE-OE2 3.27Å; R368-E447 PolarHBondContact NE-OE2 3.4Å; R368-E447 IonicContact NH2-OE2 3.69Å; R368-E447 PolarHBondContact NH2-OE2 3.36Å; L436-E447 HydrophobicContact CD1-CB 4.06Å; L436-E447 HydrophobicContact CD2-CB 4.05Å; E443-E447 WeakPolarHBondContact O-CG 3.4Å; E443-E447 PolarHBondContact O-N 3.16Å; S444-E447 WeakPolarHBondContact O-CB 3.36Å; S444-E447 PolarHBondContact O-N 3.12Å; E447-S450 WeakPolarHBondContact O-CB 3.41Å; E447-S450 PolarHBondContact O-N 2.91Å; E447-V451 VanDerWaalsContact O-CG2 3.3Å; E447-V451 WeakPolarHBondContact O-CG2 3.46Å; E447-V451 PolarHBondContact O-N 2.92Å; E447-V451 VanDerWaalsContact O-N 3.08Å |
| 448 | A | 89 | Confident | 85 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I433 L436 F437 S444 K445 V446 S450 V451 I452 | I433-A448 HydrophobicContact CG2-CB 4.45Å; L436-A448 HydrophobicContact CB-CB 3.78Å; L436-A448 HydrophobicContact CD1-CB 4.24Å; F437-A448 HydrophobicContact CD1-CB 4.48Å; F437-A448 HydrophobicContact CD2-CB 3.66Å; F437-A448 HydrophobicContact CE1-CB 4.26Å; F437-A448 HydrophobicContact CE2-CB 3.39Å; F437-A448 HydrophobicContact CG-CB 4.21Å; F437-A448 HydrophobicContact CZ-CB 3.72Å; S444-A448 PolarHBondContact O-N 2.97Å; K445-A448 WeakPolarHBondContact O-CB 3.14Å; K445-A448 PolarHBondContact O-N 2.71Å; V446-A448 VanDerWaalsContact C-N 3.3Å; V446-A448 PolarHBondContact O-N 3.47Å; A448-S450 VanDerWaalsContact C-N 3.34Å; A448-S450 PolarHBondContact O-N 3.02Å; A448-V451 PolarHBondContact O-N 3.38Å; A448-I452 VanDerWaalsContact O-CG1 3.32Å; A448-I452 WeakPolarHBondContact O-CG1 3.48Å; A448-I452 PolarHBondContact O-N 3.05Å |
| 449 | A | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K445 V446 V451 I452 G453 L476 L479 I490 T494 | K445-A449 PolarHBondContact O-N 3.39Å; V446-A449 PolarHBondContact O-N 3.37Å; A449-V451 VanDerWaalsContact C-N 3.34Å; A449-V451 PolarHBondContact O-N 3.03Å; A449-I452 PolarHBondContact O-N 3.33Å; A449-G453 PolarHBondContact O-N 2.91Å; A449-L476 HydrophobicContact CB-CD2 3.52Å; A449-L479 HydrophobicContact CB-CD1 4.14Å; A449-I490 HydrophobicContact CB-CG2 4.04Å; A449-T494 WeakPolarHBondContact O-CG2 3.38Å; A449-T494 PolarHBondContact O-OG1 3.19Å; A449-T494 VanDerWaalsContact O-OG1 3.04Å |
| 450 | S | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | A353 C354 G357 R402 V446 E447 A448 G453 T454 | A353-S450 PolarHBondContact O-OG 3.48Å; C354-S450 PolarHBondContact O-OG 3.44Å; G357-S450 VanDerWaalsContact CA-OG 3.28Å; G357-S450 WeakPolarHBondContact CA-OG 3.44Å; G357-S450 PolarHBondContact N-OG 3.47Å; R402-S450 PolarHBondContact NH2-O 3.34Å; V446-S450 PolarHBondContact O-N 3.32Å; E447-S450 WeakPolarHBondContact O-CB 3.41Å; E447-S450 PolarHBondContact O-N 2.91Å; A448-S450 VanDerWaalsContact C-N 3.34Å; A448-S450 PolarHBondContact O-N 3.02Å; S450-G453 PolarHBondContact O-N 3.02Å; S450-T454 PolarHBondContact O-N 2.83Å; S450-T454 PolarHBondContact O-OG1 3.33Å |
| 451 | V | 91.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | L350 A353 C354 F432 I433 L436 E447 A448 A449 G453 T454 L455 | L350-V451 HydrophobicContact CD2-CG1 3.8Å; A353-V451 HydrophobicContact CB-CG2 4.39Å; C354-V451 HydrophobicContact CB-CG2 4.36Å; C354-V451 WeakPolarHBondContact SG-CG2 3.48Å; F432-V451 HydrophobicContact CE1-CG2 4.04Å; I433-V451 HydrophobicContact CD1-CG1 3.94Å; I433-V451 HydrophobicContact CG1-CB 4.41Å; I433-V451 HydrophobicContact CG1-CG1 3.97Å; L436-V451 HydrophobicContact CD1-CG2 4.46Å; E447-V451 VanDerWaalsContact O-CG2 3.3Å; E447-V451 WeakPolarHBondContact O-CG2 3.46Å; E447-V451 PolarHBondContact O-N 2.92Å; E447-V451 VanDerWaalsContact O-N 3.08Å; A448-V451 PolarHBondContact O-N 3.38Å; A449-V451 VanDerWaalsContact C-N 3.34Å; A449-V451 PolarHBondContact O-N 3.03Å; V451-G453 VanDerWaalsContact C-N 3.3Å; V451-G453 PolarHBondContact O-N 2.64Å; V451-T454 CarbonylContact O-C 3.52Å; V451-T454 WeakPolarHBondContact O-CA 3.47Å; V451-T454 WeakPolarHBondContact O-CB 3.24Å; V451-T454 PolarHBondContact O-N 3.2Å; V451-L455 HydrophobicContact CG1-CD1 4.26Å; V451-L455 HydrophobicContact CG1-CG 4.42Å; V451-L455 WeakPolarHBondContact O-CG 3.44Å; V451-L455 PolarHBondContact O-N 3.3Å |
| 452 | I | 90.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.4 | -48.9 | 177 | -71.9 | 168.3 | 0 | 0 | 0 | 110.1 | I433 F437 A448 A449 T454 L455 F456 V472 L476 T494 | I433-I452 HydrophobicContact CD1-CG1 3.85Å; I433-I452 HydrophobicContact CG2-CD1 4.12Å; I433-I452 HydrophobicContact CG2-CG1 4.28Å; F437-I452 HydrophobicContact CE2-CD1 3.82Å; F437-I452 HydrophobicContact CZ-CD1 4.21Å; A448-I452 VanDerWaalsContact O-CG1 3.32Å; A448-I452 WeakPolarHBondContact O-CG1 3.48Å; A448-I452 PolarHBondContact O-N 3.05Å; A449-I452 PolarHBondContact O-N 3.33Å; I452-T454 VanDerWaalsContact C-N 3.27Å; I452-T454 PolarHBondContact O-N 3.32Å; I452-L455 PolarHBondContact O-N 3.27Å; I452-L455 VanDerWaalsContact O-N 3.13Å; I452-F456 HydrophobicContact CG2-CD2 3.69Å; I452-F456 HydrophobicContact CG2-CE2 3.48Å; I452-F456 VanDerWaalsContact CG2-CE2 3.48Å; I452-F456 VanDerWaalsContact O-CD2 3.25Å; I452-F456 WeakPolarHBondContact O-CD2 3.45Å; I452-F456 PolarHBondContact O-N 2.8Å; I452-V472 HydrophobicContact CD1-CG1 3.77Å; I452-L476 HydrophobicContact CD1-CD1 4.23Å; I452-L476 HydrophobicContact CD1-CD2 4.45Å; I452-L476 HydrophobicContact CG2-CD1 4.37Å; I452-T494 HydrophobicContact CB-CG2 4.07Å; I452-T494 HydrophobicContact CG2-CG2 3.69Å |
| 453 | G | 87.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.4 | -30.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R402 A449 S450 V451 F456 L457 | R402-G453 VanDerWaalsContact NH2-CA 3.27Å; A449-G453 PolarHBondContact O-N 2.91Å; S450-G453 PolarHBondContact O-N 3.02Å; V451-G453 VanDerWaalsContact C-N 3.3Å; V451-G453 PolarHBondContact O-N 2.64Å; G453-F456 PolarHBondContact O-N 2.93Å; G453-L457 WeakPolarHBondContact O-CG 3.47Å; G453-L457 PolarHBondContact O-N 3.11Å |
| 454 | T | 89.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 172.8 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | A353 R402 V405 A406 S450 V451 I452 L457 G458 | A353-T454 HydrophobicContact CB-CG2 3.83Å; R402-T454 HydrophobicContact CG-CG2 4.21Å; R402-T454 WeakPolarHBondContact CG-OG1 3.43Å; R402-T454 PolarHBondContact NE-OG1 3.29Å; V405-T454 HydrophobicContact CG1-CG2 4.3Å; A406-T454 HydrophobicContact CB-CG2 3.86Å; A406-T454 VanDerWaalsContact CB-O 3.31Å; A406-T454 WeakPolarHBondContact CB-O 3.37Å; S450-T454 PolarHBondContact O-N 2.83Å; S450-T454 PolarHBondContact O-OG1 3.33Å; V451-T454 CarbonylContact O-C 3.52Å; V451-T454 WeakPolarHBondContact O-CA 3.47Å; V451-T454 WeakPolarHBondContact O-CB 3.24Å; V451-T454 PolarHBondContact O-N 3.2Å; I452-T454 VanDerWaalsContact C-N 3.27Å; I452-T454 PolarHBondContact O-N 3.32Å; T454-L457 PolarHBondContact O-N 3.05Å; T454-G458 PolarHBondContact O-N 3.28Å; T454-G458 VanDerWaalsContact O-N 3.12Å |
| 455 | L | 90.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 175.2 | -67.1 | 173.3 | 0 | 0 | 0 | 111.9 | L350 L409 C429 I433 V451 I452 L457 G458 P459 Y460 V462 I466 | L350-L455 HydrophobicContact CD2-CD2 4.29Å; L409-L455 HydrophobicContact CD1-CD2 4.26Å; C429-L455 HydrophobicContact CB-CD1 4.34Å; I433-L455 HydrophobicContact CD1-CD1 3.64Å; V451-L455 HydrophobicContact CG1-CD1 4.26Å; V451-L455 HydrophobicContact CG1-CG 4.42Å; V451-L455 WeakPolarHBondContact O-CG 3.44Å; V451-L455 PolarHBondContact O-N 3.3Å; I452-L455 PolarHBondContact O-N 3.27Å; I452-L455 VanDerWaalsContact O-N 3.13Å; L455-L457 VanDerWaalsContact C-N 3.34Å; L455-L457 PolarHBondContact O-N 2.88Å; L455-G458 CarbonylContact O-C 3.2Å; L455-G458 VanDerWaalsContact O-C 3.23Å; L455-G458 PolarHBondContact O-N 2.91Å; L455-G458 VanDerWaalsContact O-N 3.08Å; L455-P459 HydrophobicContact CD2-CG 3.66Å; L455-P459 CarbonylContact O-C 3.56Å; L455-P459 WeakPolarHBondContact O-CD 3.43Å; L455-Y460 PolarHBondContact O-N 3.13Å; L455-V462 HydrophobicContact CD1-CG1 4.37Å; L455-I466 HydrophobicContact CD1-CD1 4.04Å |
| 456 | F | 85.7 | Confident | 86.9 | Confident | 11 Ų | 11 | 12.4 Ų | 12.4 | 5% | 0.048 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.9 | -34.9 | 174.3 | -84.1 | -69.9 | 0 | 0 | 0 | 113.6 | I452 G453 G458 Y460 I467 I497 A498 | I452-F456 HydrophobicContact CG2-CD2 3.69Å; I452-F456 HydrophobicContact CG2-CE2 3.48Å; I452-F456 VanDerWaalsContact CG2-CE2 3.48Å; I452-F456 VanDerWaalsContact O-CD2 3.25Å; I452-F456 WeakPolarHBondContact O-CD2 3.45Å; I452-F456 PolarHBondContact O-N 2.8Å; G453-F456 PolarHBondContact O-N 2.93Å; F456-G458 VanDerWaalsContact C-N 3.25Å; F456-Y460 AromaticContact CD1-CD2 3.61Å; F456-Y460 HydrophobicContact CD1-CD2 3.61Å; F456-Y460 AromaticContact CD1-CE2 3.5Å; F456-Y460 HydrophobicContact CD1-CE2 3.5Å; F456-Y460 VanDerWaalsContact CD1-CE2 3.5Å; F456-Y460 HydrophobicContact CD1-CG 4.48Å; F456-Y460 HydrophobicContact CE1-CD2 4.26Å; F456-Y460 AromaticContact CE1-CE2 3.82Å; F456-Y460 HydrophobicContact CE1-CE2 3.82Å; F456-I467 HydrophobicContact CE2-CB 4.32Å; F456-I467 HydrophobicContact CE2-CD1 3.81Å; F456-I467 HydrophobicContact CE2-CG2 4.47Å; F456-I467 HydrophobicContact CZ-CB 4.09Å; F456-I467 HydrophobicContact CZ-CD1 3.9Å; F456-I467 HydrophobicContact CZ-CG2 3.75Å; F456-I497 HydrophobicContact CB-CG2 3.52Å; F456-A498 HydrophobicContact CD1-CB 3.99Å; F456-A498 HydrophobicContact CD2-CB 3.9Å; F456-A498 HydrophobicContact CE1-CB 3.76Å; F456-A498 HydrophobicContact CE2-CB 3.66Å; F456-A498 HydrophobicContact CG-CB 4.07Å; F456-A498 HydrophobicContact CZ-CB 3.59Å |
| 457 | L | 83.6 | Confident | 86.7 | Confident | 50 Ų | 50 | 12.5 Ų | 12.5 | 26% | 0.262 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -71.4 | -22.3 | 172.2 | -67.4 | 174 | 0 | 0 | 0 | 112.5 | R402 M403 A406 G453 T454 L455 I497 | R402-L457 HydrophobicContact CG-CD1 4.31Å; M403-L457 HydrophobicContact CE-CB 4.38Å; M403-L457 HydrophobicContact CE-CD1 4.14Å; M403-L457 HydrophobicContact CE-CD2 4.06Å; M403-L457 HydrophobicContact CE-CG 4.41Å; A406-L457 HydrophobicContact CB-CB 3.74Å; G453-L457 WeakPolarHBondContact O-CG 3.47Å; G453-L457 PolarHBondContact O-N 3.11Å; T454-L457 PolarHBondContact O-N 3.05Å; L455-L457 VanDerWaalsContact C-N 3.34Å; L455-L457 PolarHBondContact O-N 2.88Å; L457-I497 HydrophobicContact CD1-CD1 4.19Å; L457-I497 HydrophobicContact CD2-CG1 4.34Å; L457-I497 HydrophobicContact CD2-CG2 3.7Å; L457-I497 HydrophobicContact CG-CD1 4.35Å; L457-I497 HydrophobicContact CG-CG2 3.72Å |
| 458 | G | 85.4 | Confident | 86.4 | Confident | 13 Ų | 13 | 15.6 Ų | 15.6 | 13% | 0.134 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -112.8 | -111.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A406 T454 L455 F456 Y460 | A406-G458 VanDerWaalsContact O-CA 3.26Å; A406-G458 WeakPolarHBondContact O-CA 3.48Å; T454-G458 PolarHBondContact O-N 3.28Å; T454-G458 VanDerWaalsContact O-N 3.12Å; L455-G458 CarbonylContact O-C 3.2Å; L455-G458 VanDerWaalsContact O-C 3.23Å; L455-G458 PolarHBondContact O-N 2.91Å; L455-G458 VanDerWaalsContact O-N 3.08Å; F456-G458 VanDerWaalsContact C-N 3.25Å; G458-Y460 PolarHBondContact O-N 2.84Å |
| 459 | P | 87.6 | Confident | 86 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | trans | -71.3 | 78.1 | 176.7 | 33.6 | -36.9 | 0 | 0 | 0 | 110.9 | L409 W413 Y425 L455 E461 V462 G463 | L409-P459 HydrophobicContact CB-CG 4.21Å; W413-P459 HydrophobicContact CB-CB 3.92Å; W413-P459 HydrophobicContact CG-CB 3.92Å; Y425-P459 HydrophobicContact CE1-CG 4.35Å; L455-P459 HydrophobicContact CD2-CG 3.66Å; L455-P459 CarbonylContact O-C 3.56Å; L455-P459 WeakPolarHBondContact O-CD 3.43Å; P459-E461 PolarHBondContact O-N 3.35Å; P459-E461 VanDerWaalsContact O-N 3.17Å; P459-V462 HydrophobicContact CB-CB 4.27Å; P459-V462 HydrophobicContact CB-CG2 4.07Å; P459-V462 HydrophobicContact CG-CB 4.43Å; P459-V462 WeakPolarHBondContact O-CB 3.35Å; P459-V462 PolarHBondContact O-N 3.49Å; P459-G463 PolarHBondContact O-N 3.19Å | ||
| 460 | Y | 84.8 | Confident | 85.4 | Confident | 12 Ų | 12 | 26.4 Ų | 26.4 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.1 | -38.3 | -174.5 | 178.4 | -83.8 | 0 | 0 | 0 | 113.3 | L455 F456 G458 V462 G463 S464 K501 Q504 C505 | L455-Y460 PolarHBondContact O-N 3.13Å; F456-Y460 AromaticContact CD1-CD2 3.61Å; F456-Y460 HydrophobicContact CD1-CD2 3.61Å; F456-Y460 AromaticContact CD1-CE2 3.5Å; F456-Y460 HydrophobicContact CD1-CE2 3.5Å; F456-Y460 VanDerWaalsContact CD1-CE2 3.5Å; F456-Y460 HydrophobicContact CD1-CG 4.48Å; F456-Y460 HydrophobicContact CE1-CD2 4.26Å; F456-Y460 AromaticContact CE1-CE2 3.82Å; F456-Y460 HydrophobicContact CE1-CE2 3.82Å; G458-Y460 PolarHBondContact O-N 2.84Å; Y460-V462 VanDerWaalsContact C-N 3.28Å; Y460-V462 PolarHBondContact O-N 2.9Å; Y460-G463 PolarHBondContact O-N 2.94Å; Y460-S464 WeakPolarHBondContact O-CB 3.28Å; Y460-S464 PolarHBondContact O-N 2.96Å; Y460-K501 HydrophobicContact CD1-CD 4Å; Y460-K501 HydrophobicContact CD2-CB 4.18Å; Y460-K501 HydrophobicContact CD2-CD 3.85Å; Y460-K501 HydrophobicContact CD2-CG 4.1Å; Y460-K501 HydrophobicContact CE1-CB 4.21Å; Y460-K501 HydrophobicContact CE1-CD 4.38Å; Y460-K501 HydrophobicContact CE2-CB 3.67Å; Y460-K501 HydrophobicContact CE2-CD 4.21Å; Y460-K501 HydrophobicContact CE2-CG 4.09Å; Y460-K501 HydrophobicContact CG-CD 3.75Å; Y460-K501 HydrophobicContact CG-CG 4.49Å; Y460-Q504 HydrophobicContact CE1-CB 4.43Å; Y460-C505 PolarHBondContact OH-SG 3.32Å |
| 461 | E | 83.6 | Confident | 84.9 | Confident | 111 Ų | 111 | 26.8 Ų | 26.8 | 52% | 0.519 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.8 | -40.2 | 179.2 | -65.6 | 177.7 | 171.4 | 0 | 0 | 111.6 | W413 P459 G465 | W413-E461 PolarHBondContact NE1-OE2 3Å; P459-E461 PolarHBondContact O-N 3.35Å; P459-E461 VanDerWaalsContact O-N 3.17Å; E461-G465 PolarHBondContact O-N 3.33Å |
| 462 | V | 88.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.6 | -46.1 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 110 | W413 Y425 T426 C429 L455 P459 Y460 S464 G465 I466 | W413-V462 HydrophobicContact CD2-CG2 4.04Å; W413-V462 HydrophobicContact CE3-CG2 3.86Å; W413-V462 HydrophobicContact CH2-CG2 3.8Å; W413-V462 HydrophobicContact CZ2-CG2 4.05Å; W413-V462 HydrophobicContact CZ3-CG2 3.7Å; Y425-V462 HydrophobicContact CD1-CG2 4.1Å; Y425-V462 HydrophobicContact CE1-CG2 4.06Å; T426-V462 HydrophobicContact CG2-CG1 4.33Å; C429-V462 HydrophobicContact CB-CG1 3.82Å; L455-V462 HydrophobicContact CD1-CG1 4.37Å; P459-V462 HydrophobicContact CB-CB 4.27Å; P459-V462 HydrophobicContact CB-CG2 4.07Å; P459-V462 HydrophobicContact CG-CB 4.43Å; P459-V462 WeakPolarHBondContact O-CB 3.35Å; P459-V462 PolarHBondContact O-N 3.49Å; Y460-V462 VanDerWaalsContact C-N 3.28Å; Y460-V462 PolarHBondContact O-N 2.9Å; V462-S464 PolarHBondContact O-N 3.07Å; V462-G465 PolarHBondContact O-N 3.39Å; V462-I466 HydrophobicContact CG1-CD1 3.76Å; V462-I466 VanDerWaalsContact O-CG1 3.24Å; V462-I466 WeakPolarHBondContact O-CG1 3.39Å; V462-I466 PolarHBondContact O-N 3.38Å |
| 463 | G | 86.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | P459 Y460 I466 I467 | P459-G463 PolarHBondContact O-N 3.19Å; Y460-G463 PolarHBondContact O-N 2.94Å; G463-I466 PolarHBondContact O-N 3.1Å; G463-I467 PolarHBondContact O-N 2.63Å |
| 464 | S | 83.7 | Confident | 83.9 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.063 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 178 | -168.9 | 0 | 0 | 0 | 0 | 112.4 | Y460 V462 I466 I467 S468 | Y460-S464 WeakPolarHBondContact O-CB 3.28Å; Y460-S464 PolarHBondContact O-N 2.96Å; V462-S464 PolarHBondContact O-N 3.07Å; S464-I466 VanDerWaalsContact C-N 3.34Å; S464-I467 WeakPolarHBondContact O-CG2 3.47Å; S464-S468 WeakPolarHBondContact O-CB 3.39Å; S464-S468 PolarHBondContact O-N 2.77Å; S464-S468 PolarHBondContact O-OG 3.27Å |
| 465 | G | 82.8 | Confident | 83.5 | Confident | 37 Ų | 37 | 30.7 Ų | 30.7 | 38% | 0.381 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.6 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E461 V462 | E461-G465 PolarHBondContact O-N 3.33Å; V462-G465 PolarHBondContact O-N 3.39Å |
| 466 | I | 85 | Confident | 83.1 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.1 | -42.5 | -180 | -66.1 | 169.9 | 0 | 0 | 0 | 111.5 | C429 K430 I433 L455 V462 G463 S464 S468 Q469 V472 | C429-I466 HydrophobicContact CB-CD1 3.98Å; K430-I466 HydrophobicContact CB-CD1 4.35Å; K430-I466 HydrophobicContact CB-CG1 4.34Å; I433-I466 HydrophobicContact CD1-CD1 3.84Å; I433-I466 HydrophobicContact CD1-CG2 4Å; I433-I466 HydrophobicContact CG2-CG2 4.08Å; L455-I466 HydrophobicContact CD1-CD1 4.04Å; V462-I466 HydrophobicContact CG1-CD1 3.76Å; V462-I466 VanDerWaalsContact O-CG1 3.24Å; V462-I466 WeakPolarHBondContact O-CG1 3.39Å; V462-I466 PolarHBondContact O-N 3.38Å; G463-I466 PolarHBondContact O-N 3.1Å; S464-I466 VanDerWaalsContact C-N 3.34Å; I466-S468 PolarHBondContact O-N 3.19Å; I466-Q469 WeakPolarHBondContact O-CB 3.49Å; I466-Q469 PolarHBondContact O-N 3.04Å; I466-Q469 VanDerWaalsContact O-N 3.17Å; I466-V472 HydrophobicContact CG2-CG1 4.43Å |
| 467 | I | 82.2 | Confident | 83 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.7 | -27.3 | 179.9 | -161.1 | 161.2 | 0 | 0 | 0 | 112.7 | F456 G463 S464 Q469 F473 L476 I508 | F456-I467 HydrophobicContact CE2-CB 4.32Å; F456-I467 HydrophobicContact CE2-CD1 3.81Å; F456-I467 HydrophobicContact CE2-CG2 4.47Å; F456-I467 HydrophobicContact CZ-CB 4.09Å; F456-I467 HydrophobicContact CZ-CD1 3.9Å; F456-I467 HydrophobicContact CZ-CG2 3.75Å; G463-I467 PolarHBondContact O-N 2.63Å; S464-I467 WeakPolarHBondContact O-CG2 3.47Å; I467-Q469 PolarHBondContact O-N 2.73Å; I467-F473 HydrophobicContact CD1-CD2 3.91Å; I467-F473 HydrophobicContact CG1-CB 4.1Å; I467-F473 HydrophobicContact CG1-CD2 3.89Å; I467-F473 HydrophobicContact CG1-CG 4.43Å; I467-L476 HydrophobicContact CD1-CD1 3.74Å; I467-L476 HydrophobicContact CG1-CD1 4.14Å; I467-I508 HydrophobicContact CB-CD1 4.39Å; I467-I508 HydrophobicContact CD1-CD1 4.14Å; I467-I508 HydrophobicContact CG1-CD1 4.13Å; I467-I508 HydrophobicContact CG2-CD1 3.37Å |
| 468 | S | 79.3 | Confident | 82.9 | Confident | 73 Ų | 73 | 31.6 Ų | 31.6 | 51% | 0.51 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -6.2 | 179.8 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | S464 I466 | S464-S468 WeakPolarHBondContact O-CB 3.39Å; S464-S468 PolarHBondContact O-N 2.77Å; S464-S468 PolarHBondContact O-OG 3.27Å; I466-S468 PolarHBondContact O-N 3.19Å |
| 469 | Q | 80.4 | Confident | 82.8 | Confident | 50 Ų | 50 | 31.2 Ų | 31.2 | 23% | 0.234 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -72.6 | 144.8 | 173.8 | -65.9 | 179.4 | 2.8 | 0 | 0 | 110.5 | K430 I466 I467 V472 | K430-Q469 VanDerWaalsContact CD-NE2 3.3Å; I466-Q469 WeakPolarHBondContact O-CB 3.49Å; I466-Q469 PolarHBondContact O-N 3.04Å; I466-Q469 VanDerWaalsContact O-N 3.17Å; I467-Q469 PolarHBondContact O-N 2.73Å; Q469-V472 HydrophobicContact CB-CG2 4.02Å; Q469-V472 PolarHBondContact O-N 3.34Å |
| 470 | E | 75.8 | Confident | 82.5 | Confident | 177 Ų | 177 | 31.3 Ų | 31.3 | 83% | 0.827 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 138.4 | 176.5 | -165 | 161 | -161.4 | 0 | 0 | 110.6 | V472 | E470-V472 PolarHBondContact O-N 3Å; E470-V472 VanDerWaalsContact O-N 3.11Å |
| 471 | G | 79.1 | Confident | 82.3 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -30 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | G475 | G471-G475 PolarHBondContact O-N 3.47Š|
| 472 | V | 83.4 | Confident | 82.1 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -50.8 | -176.7 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | F437 I452 I466 Q469 E470 G475 L476 | F437-V472 HydrophobicContact CE2-CG1 3.95Å; F437-V472 HydrophobicContact CZ-CG1 4.44Å; I452-V472 HydrophobicContact CD1-CG1 3.77Å; I466-V472 HydrophobicContact CG2-CG1 4.43Å; Q469-V472 HydrophobicContact CB-CG2 4.02Å; Q469-V472 PolarHBondContact O-N 3.34Å; E470-V472 PolarHBondContact O-N 3Å; E470-V472 VanDerWaalsContact O-N 3.11Å; V472-G475 PolarHBondContact O-N 3.25Å; V472-L476 PolarHBondContact O-N 3.3Å; V472-L476 VanDerWaalsContact O-N 3.08Å |
| 473 | F | 82.4 | Confident | 81.4 | Confident | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -39.7 | 178.7 | -177.6 | -113.6 | 0 | 0 | 0 | 112 | I467 G475 L476 L477 I508 K511 A512 | I467-F473 HydrophobicContact CD1-CD2 3.91Å; I467-F473 HydrophobicContact CG1-CB 4.1Å; I467-F473 HydrophobicContact CG1-CD2 3.89Å; I467-F473 HydrophobicContact CG1-CG 4.43Å; F473-G475 VanDerWaalsContact C-N 3.27Å; F473-G475 PolarHBondContact O-N 3.48Å; F473-L476 WeakPolarHBondContact O-CB 3.23Å; F473-L476 PolarHBondContact O-N 3.3Å; F473-L476 VanDerWaalsContact O-N 3.11Å; F473-L477 HydrophobicContact CD1-CD1 3.97Å; F473-L477 HydrophobicContact CD1-CG 4.18Å; F473-L477 HydrophobicContact CE1-CD1 3.48Å; F473-L477 VanDerWaalsContact CE1-CD1 3.48Å; F473-L477 HydrophobicContact CE1-CD2 4.06Å; F473-L477 HydrophobicContact CE1-CG 3.77Å; F473-L477 HydrophobicContact CE2-CD2 4.14Å; F473-L477 HydrophobicContact CE2-CG 4.31Å; F473-L477 HydrophobicContact CZ-CD1 3.98Å; F473-L477 HydrophobicContact CZ-CD2 3.64Å; F473-L477 HydrophobicContact CZ-CG 3.83Å; F473-L477 WeakPolarHBondContact O-CG 3.38Å; F473-L477 PolarHBondContact O-N 3.29Å; F473-I508 HydrophobicContact CD2-CG2 3.86Å; F473-I508 HydrophobicContact CE1-CG2 4.1Å; F473-I508 HydrophobicContact CE2-CG2 3.29Å; F473-I508 HydrophobicContact CG-CG2 4.48Å; F473-I508 HydrophobicContact CZ-CG2 3.42Å; F473-I508 VanDerWaalsContact CZ-CG2 3.42Å; F473-K511 HydrophobicContact CD1-CD 4.17Å; F473-K511 HydrophobicContact CE1-CB 3.81Å; F473-K511 HydrophobicContact CE1-CD 4.04Å; F473-A512 HydrophobicContact CZ-CB 4.26Å |
| 474 | D | 81.5 | Confident | 81 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 177 | -55.2 | -51.3 | 0 | 0 | 0 | 110.4 | L476 L477 L478 K511 | D474-L476 PolarHBondContact O-N 2.93Å; D474-L477 PolarHBondContact O-N 3.4Å; D474-L478 WeakPolarHBondContact O-CG 3.4Å; D474-L478 PolarHBondContact O-N 3Å; D474-K511 IonicContact OD1-NZ 3.03Å; D474-K511 PolarHBondContact OD1-NZ 2.92Å |
| 475 | G | 81.6 | Confident | 80.4 | Confident | 4 Ų | 4 | 47 Ų | 47 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G471 V472 F473 L478 L479 | G471-G475 PolarHBondContact O-N 3.47Å; V472-G475 PolarHBondContact O-N 3.25Å; F473-G475 VanDerWaalsContact C-N 3.27Å; F473-G475 PolarHBondContact O-N 3.48Å; G475-L478 PolarHBondContact O-N 2.68Å; G475-L479 WeakPolarHBondContact O-CG 3.43Å; G475-L479 PolarHBondContact O-N 3.3Å |
| 476 | L | 83.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 173 | -70.1 | 173 | 0 | 0 | 0 | 112 | F437 A449 I452 I467 V472 F473 D474 L479 T480 T494 | F437-L476 HydrophobicContact CZ-CD2 4.45Å; A449-L476 HydrophobicContact CB-CD2 3.52Å; I452-L476 HydrophobicContact CD1-CD1 4.23Å; I452-L476 HydrophobicContact CD1-CD2 4.45Å; I452-L476 HydrophobicContact CG2-CD1 4.37Å; I467-L476 HydrophobicContact CD1-CD1 3.74Å; I467-L476 HydrophobicContact CG1-CD1 4.14Å; V472-L476 PolarHBondContact O-N 3.3Å; V472-L476 VanDerWaalsContact O-N 3.08Å; F473-L476 WeakPolarHBondContact O-CB 3.23Å; F473-L476 PolarHBondContact O-N 3.3Å; F473-L476 VanDerWaalsContact O-N 3.11Å; D474-L476 PolarHBondContact O-N 2.93Å; L476-L479 PolarHBondContact O-N 3.37Å; L476-T480 PolarHBondContact O-N 3.46Å; L476-T494 HydrophobicContact CD1-CG2 4.3Å; L476-T494 HydrophobicContact CD2-CG2 4.33Å |
| 477 | L | 81.9 | Confident | 79.7 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.8 | -69.4 | -174.4 | 0 | 0 | 0 | 111.7 | F473 D474 L479 T480 Q481 I495 L515 | F473-L477 HydrophobicContact CD1-CD1 3.97Å; F473-L477 HydrophobicContact CD1-CG 4.18Å; F473-L477 HydrophobicContact CE1-CD1 3.48Å; F473-L477 VanDerWaalsContact CE1-CD1 3.48Å; F473-L477 HydrophobicContact CE1-CD2 4.06Å; F473-L477 HydrophobicContact CE1-CG 3.77Å; F473-L477 HydrophobicContact CE2-CD2 4.14Å; F473-L477 HydrophobicContact CE2-CG 4.31Å; F473-L477 HydrophobicContact CZ-CD1 3.98Å; F473-L477 HydrophobicContact CZ-CD2 3.64Å; F473-L477 HydrophobicContact CZ-CG 3.83Å; F473-L477 WeakPolarHBondContact O-CG 3.38Å; F473-L477 PolarHBondContact O-N 3.29Å; D474-L477 PolarHBondContact O-N 3.4Å; L477-L479 VanDerWaalsContact C-N 3.28Å; L477-L479 PolarHBondContact O-N 3.46Å; L477-T480 WeakPolarHBondContact O-CB 3.4Å; L477-T480 PolarHBondContact O-N 3.5Å; L477-T480 PolarHBondContact O-OG1 3.01Å; L477-Q481 PolarHBondContact O-N 3.02Å; L477-I495 HydrophobicContact CD2-CD1 4.22Å; L477-L515 HydrophobicContact CB-CD1 4.46Å; L477-L515 HydrophobicContact CD1-CD1 3.87Å; L477-L515 HydrophobicContact CD2-CD1 3.61Å; L477-L515 HydrophobicContact CG-CD1 4.19Å |
| 478 | L | 82 | Confident | 79.6 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 174.7 | -74 | 167.6 | 0 | 0 | 0 | 111.7 | D474 G475 T480 Q481 C482 V596 | D474-L478 WeakPolarHBondContact O-CG 3.4Å; D474-L478 PolarHBondContact O-N 3Å; G475-L478 PolarHBondContact O-N 2.68Å; L478-T480 PolarHBondContact O-N 2.93Å; L478-Q481 PolarHBondContact O-N 3.25Å; L478-C482 PolarHBondContact O-N 2.97Å; L478-C482 PolarHBondContact O-SG 3.09Å; L478-V596 HydrophobicContact CD1-CG1 4.07Å; L478-V596 HydrophobicContact CD1-CG2 4.19Å |
| 479 | L | 83.9 | Confident | 79.6 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -29.9 | 174.8 | -69.2 | 174 | 0 | 0 | 0 | 112.9 | I442 K445 V446 A449 G475 L476 L477 Q481 C482 Q488 A491 | I442-L479 HydrophobicContact CD1-CD2 4.37Å; I442-L479 HydrophobicContact CG1-CD2 3.99Å; K445-L479 HydrophobicContact CB-CD1 4.26Å; K445-L479 HydrophobicContact CB-CD2 4.28Å; V446-L479 HydrophobicContact CG2-CD1 4.47Å; V446-L479 HydrophobicContact CG2-CD2 4.01Å; A449-L479 HydrophobicContact CB-CD1 4.14Å; G475-L479 WeakPolarHBondContact O-CG 3.43Å; G475-L479 PolarHBondContact O-N 3.3Å; L476-L479 PolarHBondContact O-N 3.37Å; L477-L479 VanDerWaalsContact C-N 3.28Å; L477-L479 PolarHBondContact O-N 3.46Å; L479-Q481 VanDerWaalsContact C-N 3.25Å; L479-Q481 PolarHBondContact O-N 3.08Å; L479-C482 PolarHBondContact O-N 2.82Å; L479-Q488 WeakPolarHBondContact O-CA 3.36Å; L479-A491 HydrophobicContact CB-CB 3.58Å |
| 480 | T | 80.5 | Confident | 79.6 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.7 | -19.5 | 174.7 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | L476 L477 L478 Q488 A491 L492 I495 | L476-T480 PolarHBondContact O-N 3.46Å; L477-T480 WeakPolarHBondContact O-CB 3.4Å; L477-T480 PolarHBondContact O-N 3.5Å; L477-T480 PolarHBondContact O-OG1 3.01Å; L478-T480 PolarHBondContact O-N 2.93Å; T480-Q488 WeakPolarHBondContact O-CG 3.11Å; T480-Q488 PolarHBondContact O-NE2 3.17Å; T480-A491 HydrophobicContact CG2-CB 3.66Å; T480-L492 HydrophobicContact CG2-CD2 4.05Å; T480-L492 HydrophobicContact CG2-CG 4.16Å; T480-I495 HydrophobicContact CG2-CD1 3.57Å |
| 481 | Q | 81 | Confident | 80 | Confident | 126 Ų | 126 | 37.8 Ų | 37.8 | 59% | 0.589 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -95 | -4.7 | 178.8 | -64.8 | 179.1 | -12 | 0 | 0 | 112.8 | L477 L478 L479 | L477-Q481 PolarHBondContact O-N 3.02Å; L478-Q481 PolarHBondContact O-N 3.25Å; L479-Q481 VanDerWaalsContact C-N 3.25Å; L479-Q481 PolarHBondContact O-N 3.08Å |
| 482 | C | 80.4 | Confident | 80.2 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | trans | -62.7 | 141.2 | 176.3 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | L478 L479 N484 | L478-C482 PolarHBondContact O-N 2.97Å; L478-C482 PolarHBondContact O-SG 3.09Å; L479-C482 PolarHBondContact O-N 2.82Å; C482-N484 PolarHBondContact O-N 3.12Å | ||
| 483 | E | 73.2 | Confident | 80.1 | Confident | 171 Ų | 171 | 38 Ų | 38 | 80% | 0.799 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -62.3 | -28.9 | 173.8 | -61.6 | -176.6 | 165.5 | 0 | 0 | 112.2 | K485 | E483-K485 PolarHBondContact O-N 3.03Š|
| 484 | N | 77.8 | Confident | 80.2 | Confident | 66 Ų | 66 | 37.4 Ų | 37.4 | 35% | 0.353 | 19% | 0.187 | S | C | . | . | trans | -69.7 | 102.2 | 174.9 | -169.9 | -29.7 | 0 | 0 | 0 | 110.4 | C482 L486 Y487 Q488 | C482-N484 PolarHBondContact O-N 3.12Å; N484-L486 PolarHBondContact O-N 3.42Å; N484-L486 VanDerWaalsContact OD1-CB 3.26Å; N484-L486 WeakPolarHBondContact OD1-CB 3.41Å; N484-L486 PolarHBondContact OD1-N 3.11Å; N484-Y487 HydrophobicContact CB-CD2 3.61Å; N484-Y487 HydrophobicContact CB-CE2 4.08Å; N484-Y487 HydrophobicContact CB-CG 3.91Å; N484-Y487 WeakPolarHBondContact ND2-CE2 3.07Å; N484-Y487 PolarHBondContact O-N 3.06Å; N484-Q488 PolarHBondContact O-N 3.29Å | ||
| 485 | K | 71.4 | Confident | 80.2 | Confident | 71 Ų | 71 | 35.1 Ų | 35.1 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -49 | -30.7 | 177.8 | -64.3 | 176.8 | -176.7 | 169.3 | 0 | 113.8 | E483 T489 D574 | E483-K485 PolarHBondContact O-N 3.03Å; K485-T489 VanDerWaalsContact O-CB 3.31Å; K485-T489 WeakPolarHBondContact O-CB 3.3Å; K485-T489 PolarHBondContact O-N 3.47Å; K485-T489 PolarHBondContact O-OG1 3.5Å; K485-D574 IonicContact NZ-OD1 2.74Å |
| 486 | L | 72.2 | Confident | 80 | Confident | 58 Ų | 58 | 35 Ų | 35 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -79.2 | -37.1 | -176.3 | -162.9 | 46.5 | 0 | 0 | 0 | 111.9 | L361 N484 T489 I490 | L361-L486 HydrophobicContact CB-CD2 4.12Å; L361-L486 HydrophobicContact CD1-CD2 4.44Å; L361-L486 HydrophobicContact CD1-CG 4.16Å; L361-L486 HydrophobicContact CD2-CB 4.22Å; L361-L486 HydrophobicContact CD2-CD2 3.27Å; L361-L486 HydrophobicContact CD2-CG 3.47Å; L361-L486 VanDerWaalsContact CD2-CG 3.47Å; L361-L486 HydrophobicContact CG-CD1 4.27Å; L361-L486 HydrophobicContact CG-CD2 3.34Å; L361-L486 HydrophobicContact CG-CG 3.53Å; N484-L486 PolarHBondContact O-N 3.42Å; N484-L486 VanDerWaalsContact OD1-CB 3.26Å; N484-L486 WeakPolarHBondContact OD1-CB 3.41Å; N484-L486 PolarHBondContact OD1-N 3.11Å; L486-T489 WeakPolarHBondContact O-CB 3.4Å; L486-T489 PolarHBondContact O-N 3.39Å; L486-I490 PolarHBondContact O-N 3.32Å; L486-I490 VanDerWaalsContact O-N 3.17Å |
| 487 | Y | 80.8 | Confident | 79.9 | Confident | 28 Ų | 28 | 35.8 Ų | 35.8 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.4 | -44.1 | 172.5 | -59.3 | -12.4 | 0 | 0 | 0 | 110.3 | L361 I442 E443 V446 N484 T489 I490 A491 | L361-Y487 HydrophobicContact CD2-CD1 4.21Å; L361-Y487 HydrophobicContact CD2-CE1 3.78Å; I442-Y487 HydrophobicContact CD1-CD2 4.19Å; I442-Y487 HydrophobicContact CD1-CE2 4.4Å; I442-Y487 HydrophobicContact CG1-CD2 4.33Å; I442-Y487 HydrophobicContact CG1-CE2 4.38Å; I442-Y487 HydrophobicContact CG2-CD2 4.47Å; I442-Y487 HydrophobicContact CG2-CE2 3.71Å; E443-Y487 PolarHBondContact OE1-OH 3.33Å; V446-Y487 HydrophobicContact CG1-CD1 4.48Å; V446-Y487 HydrophobicContact CG2-CD1 3.73Å; V446-Y487 HydrophobicContact CG2-CD2 4.42Å; V446-Y487 HydrophobicContact CG2-CE1 4.27Å; V446-Y487 HydrophobicContact CG2-CG 3.82Å; N484-Y487 HydrophobicContact CB-CD2 3.61Å; N484-Y487 HydrophobicContact CB-CE2 4.08Å; N484-Y487 HydrophobicContact CB-CG 3.91Å; N484-Y487 WeakPolarHBondContact ND2-CE2 3.07Å; N484-Y487 PolarHBondContact O-N 3.06Å; Y487-T489 VanDerWaalsContact C-N 3.25Å; Y487-T489 PolarHBondContact O-N 3.05Å; Y487-I490 PolarHBondContact O-N 2.98Å; Y487-A491 PolarHBondContact O-N 3.48Å; Y487-A491 VanDerWaalsContact O-N 3.12Å |
| 488 | Q | 80 | Confident | 79.7 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.5 | -42.6 | 172.1 | 175.7 | 178.7 | 76.9 | 0 | 0 | 111.4 | L479 T480 N484 A491 L492 T527 | L479-Q488 WeakPolarHBondContact O-CA 3.36Å; T480-Q488 WeakPolarHBondContact O-CG 3.11Å; T480-Q488 PolarHBondContact O-NE2 3.17Å; N484-Q488 PolarHBondContact O-N 3.29Å; Q488-A491 PolarHBondContact O-N 3.41Å; Q488-L492 HydrophobicContact CG-CD1 3.83Å; Q488-L492 HydrophobicContact CG-CG 4.45Å; Q488-L492 WeakPolarHBondContact O-CB 3.35Å; Q488-L492 VanDerWaalsContact O-CG 3.29Å; Q488-L492 WeakPolarHBondContact O-CG 3.35Å; Q488-L492 PolarHBondContact O-N 2.69Å; Q488-T527 PolarHBondContact OE1-OG1 3Å |
| 489 | T | 78.4 | Confident | 79.3 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 179.5 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | K485 L486 Y487 A491 L492 D493 R530 | K485-T489 VanDerWaalsContact O-CB 3.31Å; K485-T489 WeakPolarHBondContact O-CB 3.3Å; K485-T489 PolarHBondContact O-N 3.47Å; K485-T489 PolarHBondContact O-OG1 3.5Å; L486-T489 WeakPolarHBondContact O-CB 3.4Å; L486-T489 PolarHBondContact O-N 3.39Å; Y487-T489 VanDerWaalsContact C-N 3.25Å; Y487-T489 PolarHBondContact O-N 3.05Å; T489-A491 VanDerWaalsContact C-N 3.32Å; T489-A491 PolarHBondContact O-N 2.89Å; T489-L492 PolarHBondContact O-N 3Å; T489-D493 WeakPolarHBondContact O-CB 3.32Å; T489-D493 PolarHBondContact O-N 2.97Å; T489-R530 VanDerWaalsContact CG2-CZ 3.47Å |
| 490 | I | 81.3 | Confident | 78.6 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | -178.6 | -68.8 | 170.9 | 0 | 0 | 0 | 111.5 | I358 L361 V446 A449 L486 Y487 D493 T494 | I358-I490 HydrophobicContact CG1-CD1 4.08Å; L361-I490 HydrophobicContact CD1-CD1 3.38Å; V446-I490 HydrophobicContact CG1-CB 4.2Å; V446-I490 HydrophobicContact CG1-CD1 3.45Å; V446-I490 VanDerWaalsContact CG1-CD1 3.45Å; V446-I490 HydrophobicContact CG1-CG1 4.42Å; V446-I490 HydrophobicContact CG1-CG2 4.04Å; A449-I490 HydrophobicContact CB-CG2 4.04Å; L486-I490 PolarHBondContact O-N 3.32Å; L486-I490 VanDerWaalsContact O-N 3.17Å; Y487-I490 PolarHBondContact O-N 2.98Å; I490-D493 PolarHBondContact O-N 3.39Å; I490-T494 WeakPolarHBondContact O-CB 3.29Å; I490-T494 PolarHBondContact O-N 3.12Å; I490-T494 PolarHBondContact O-OG1 3.41Å |
| 491 | A | 83.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L479 T480 Y487 Q488 T489 T494 I495 | L479-A491 HydrophobicContact CB-CB 3.58Å; T480-A491 HydrophobicContact CG2-CB 3.66Å; Y487-A491 PolarHBondContact O-N 3.48Å; Y487-A491 VanDerWaalsContact O-N 3.12Å; Q488-A491 PolarHBondContact O-N 3.41Å; T489-A491 VanDerWaalsContact C-N 3.32Å; T489-A491 PolarHBondContact O-N 2.89Å; A491-T494 WeakPolarHBondContact O-CB 3.5Å; A491-T494 PolarHBondContact O-N 2.98Å; A491-I495 WeakPolarHBondContact O-CG1 3.39Å; A491-I495 PolarHBondContact O-N 3.34Å |
| 492 | L | 82.8 | Confident | 76.7 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.8 | -74.1 | 170.1 | 0 | 0 | 0 | 112.7 | T480 Q488 T489 T494 I495 V496 L516 L519 T527 R530 | T480-L492 HydrophobicContact CG2-CD2 4.05Å; T480-L492 HydrophobicContact CG2-CG 4.16Å; Q488-L492 HydrophobicContact CG-CD1 3.83Å; Q488-L492 HydrophobicContact CG-CG 4.45Å; Q488-L492 WeakPolarHBondContact O-CB 3.35Å; Q488-L492 VanDerWaalsContact O-CG 3.29Å; Q488-L492 WeakPolarHBondContact O-CG 3.35Å; Q488-L492 PolarHBondContact O-N 2.69Å; T489-L492 PolarHBondContact O-N 3Å; L492-T494 PolarHBondContact O-N 2.97Å; L492-I495 PolarHBondContact O-N 2.83Å; L492-V496 WeakPolarHBondContact O-CG2 3.07Å; L492-V496 PolarHBondContact O-N 3.06Å; L492-L516 HydrophobicContact CD2-CD2 4.18Å; L492-L519 HydrophobicContact CD1-CD1 4.2Å; L492-L519 HydrophobicContact CD2-CD1 3.47Å; L492-L519 VanDerWaalsContact CD2-CD1 3.47Å; L492-L519 HydrophobicContact CG-CD1 4.34Å; L492-T527 HydrophobicContact CD1-CG2 3.88Å; L492-R530 HydrophobicContact CB-CB 4.44Å |
| 493 | D | 81.6 | Confident | 75.5 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 176.4 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | T489 I490 V496 I497 R530 W643 | T489-D493 WeakPolarHBondContact O-CB 3.32Å; T489-D493 PolarHBondContact O-N 2.97Å; I490-D493 PolarHBondContact O-N 3.39Å; D493-V496 PolarHBondContact O-N 3.14Å; D493-I497 WeakPolarHBondContact O-CB 3.4Å; D493-I497 WeakPolarHBondContact O-CD1 3.38Å; D493-I497 WeakPolarHBondContact O-CG1 3.28Å; D493-I497 PolarHBondContact O-N 3.02Å; D493-R530 WeakPolarHBondContact OD1-CD 3.45Å; D493-R530 IonicContact OD1-CZ 2.86Å; D493-R530 IonicContact OD1-NE 3.99Å; D493-R530 PolarHBondContact OD1-NE 3.38Å; D493-R530 IonicContact OD1-NH2 2.84Å; D493-W643 HydrophobicContact CB-CZ2 4.03Å; D493-W643 VanDerWaalsContact CG-CZ2 3.46Å; D493-W643 WeakPolarHBondContact OD1-CZ2 3.49Å; D493-W643 PolarHBondContact OD1-NE1 3.09Å; D493-W643 PolarHBondContact OD2-NE1 3.42Å |
| 494 | T | 84 | Confident | 74.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | A449 I452 L476 I490 A491 L492 I497 A498 | A449-T494 WeakPolarHBondContact O-CG2 3.38Å; A449-T494 PolarHBondContact O-OG1 3.19Å; A449-T494 VanDerWaalsContact O-OG1 3.04Å; I452-T494 HydrophobicContact CB-CG2 4.07Å; I452-T494 HydrophobicContact CG2-CG2 3.69Å; L476-T494 HydrophobicContact CD1-CG2 4.3Å; L476-T494 HydrophobicContact CD2-CG2 4.33Å; I490-T494 WeakPolarHBondContact O-CB 3.29Å; I490-T494 PolarHBondContact O-N 3.12Å; I490-T494 PolarHBondContact O-OG1 3.41Å; A491-T494 WeakPolarHBondContact O-CB 3.5Å; A491-T494 PolarHBondContact O-N 2.98Å; L492-T494 PolarHBondContact O-N 2.97Å; T494-I497 PolarHBondContact O-N 3.47Å; T494-A498 WeakPolarHBondContact O-CB 3.36Å; T494-A498 PolarHBondContact O-N 3.03Å |
| 495 | I | 81.7 | Confident | 73.6 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -47.7 | 175.5 | -68.1 | 165.5 | 0 | 0 | 0 | 110.5 | L477 T480 A491 L492 I497 A498 T499 | L477-I495 HydrophobicContact CD2-CD1 4.22Å; T480-I495 HydrophobicContact CG2-CD1 3.57Å; A491-I495 WeakPolarHBondContact O-CG1 3.39Å; A491-I495 PolarHBondContact O-N 3.34Å; L492-I495 PolarHBondContact O-N 2.83Å; I495-I497 VanDerWaalsContact C-N 3.31Å; I495-I497 PolarHBondContact O-N 3.1Å; I495-A498 WeakPolarHBondContact O-CB 3.49Å; I495-A498 PolarHBondContact O-N 3.28Å; I495-A498 VanDerWaalsContact O-N 3.14Å; I495-T499 WeakPolarHBondContact O-CG2 3.35Å; I495-T499 PolarHBondContact O-N 3.32Å |
| 496 | V | 78.6 | Confident | 73 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | L492 D493 A498 T499 H500 V533 A534 K537 W643 | L492-V496 WeakPolarHBondContact O-CG2 3.07Å; L492-V496 PolarHBondContact O-N 3.06Å; D493-V496 PolarHBondContact O-N 3.14Å; V496-A498 VanDerWaalsContact C-N 3.3Å; V496-A498 PolarHBondContact O-N 3.36Å; V496-T499 PolarHBondContact O-N 3.05Å; V496-T499 PolarHBondContact O-OG1 2.84Å; V496-H500 PolarHBondContact O-ND1 3.27Å; V496-V533 HydrophobicContact CG1-CG1 3.82Å; V496-A534 HydrophobicContact CG2-CB 3.79Å; V496-K537 HydrophobicContact CG1-CD 4.2Å; V496-W643 HydrophobicContact CB-CH2 3.8Å; V496-W643 HydrophobicContact CB-CZ3 4.33Å; V496-W643 HydrophobicContact CG1-CH2 3.59Å; V496-W643 HydrophobicContact CG1-CZ3 3.79Å; V496-W643 HydrophobicContact CG2-CH2 3.99Å; V496-W643 HydrophobicContact CG2-CZ3 4.24Å |
| 497 | I | 79.5 | Confident | 72.4 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.3 | -71.8 | 166.1 | 0 | 0 | 0 | 110 | R402 F456 L457 D493 T494 I495 T499 H500 | R402-I497 VanDerWaalsContact NH1-CD1 3.35Å; F456-I497 HydrophobicContact CB-CG2 3.52Å; L457-I497 HydrophobicContact CD1-CD1 4.19Å; L457-I497 HydrophobicContact CD2-CG1 4.34Å; L457-I497 HydrophobicContact CD2-CG2 3.7Å; L457-I497 HydrophobicContact CG-CD1 4.35Å; L457-I497 HydrophobicContact CG-CG2 3.72Å; D493-I497 WeakPolarHBondContact O-CB 3.4Å; D493-I497 WeakPolarHBondContact O-CD1 3.38Å; D493-I497 WeakPolarHBondContact O-CG1 3.28Å; D493-I497 PolarHBondContact O-N 3.02Å; T494-I497 PolarHBondContact O-N 3.47Å; I495-I497 VanDerWaalsContact C-N 3.31Å; I495-I497 PolarHBondContact O-N 3.1Å; I497-T499 PolarHBondContact O-N 2.92Å; I497-T499 VanDerWaalsContact O-N 3.16Å; I497-H500 PolarHBondContact O-N 3.07Å; I497-H500 PolarHBondContact O-ND1 3Å; I497-H500 VanDerWaalsContact O-ND1 3.13Å |
| 498 | A | 78.5 | Confident | 71.6 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -21.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | F456 T494 I495 V496 H500 C505 | F456-A498 HydrophobicContact CD1-CB 3.99Å; F456-A498 HydrophobicContact CD2-CB 3.9Å; F456-A498 HydrophobicContact CE1-CB 3.76Å; F456-A498 HydrophobicContact CE2-CB 3.66Å; F456-A498 HydrophobicContact CG-CB 4.07Å; F456-A498 HydrophobicContact CZ-CB 3.59Å; T494-A498 WeakPolarHBondContact O-CB 3.36Å; T494-A498 PolarHBondContact O-N 3.03Å; I495-A498 WeakPolarHBondContact O-CB 3.49Å; I495-A498 PolarHBondContact O-N 3.28Å; I495-A498 VanDerWaalsContact O-N 3.14Å; V496-A498 VanDerWaalsContact C-N 3.3Å; V496-A498 PolarHBondContact O-N 3.36Å; A498-H500 VanDerWaalsContact C-N 3.34Å; A498-H500 PolarHBondContact O-N 3.41Å; A498-C505 PolarHBondContact O-SG 3.37Å |
| 499 | T | 73.5 | Confident | 70.8 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.8 | 178.9 | 66.8 | 0 | 0 | 0 | 0 | 114.7 | I495 V496 I497 K501 K537 L538 | I495-T499 WeakPolarHBondContact O-CG2 3.35Å; I495-T499 PolarHBondContact O-N 3.32Å; V496-T499 PolarHBondContact O-N 3.05Å; V496-T499 PolarHBondContact O-OG1 2.84Å; I497-T499 PolarHBondContact O-N 2.92Å; I497-T499 VanDerWaalsContact O-N 3.16Å; T499-K501 PolarHBondContact O-N 3.06Å; T499-K537 WeakPolarHBondContact OG1-CB 3.12Å; T499-L538 HydrophobicContact CG2-CD1 4.27Å; T499-L538 HydrophobicContact CG2-CD2 3.46Å; T499-L538 VanDerWaalsContact CG2-CD2 3.46Å; T499-L538 HydrophobicContact CG2-CG 3.73Å |
| 500 | H | 69.9 | Low | 70.2 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -31 | -175.2 | -85.4 | 87 | 0 | 0 | 0 | 115.6 | V496 I497 A498 K537 | V496-H500 PolarHBondContact O-ND1 3.27Å; I497-H500 PolarHBondContact O-N 3.07Å; I497-H500 PolarHBondContact O-ND1 3Å; I497-H500 VanDerWaalsContact O-ND1 3.13Å; A498-H500 VanDerWaalsContact C-N 3.34Å; A498-H500 PolarHBondContact O-N 3.41Å; H500-K537 PolarHBondContact CE1-NZ 3.2Å; H500-K537 PolarHBondContact NE2-NZ 3.43Å |
| 501 | K | 65.6 | Low | 69.7 | Low | 123 Ų | 123 | 56.5 Ų | 56.5 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -104.5 | 122.9 | -178.2 | -74.2 | -166.5 | 179.8 | 176.7 | 0 | 112.3 | Y460 T499 Q503 | Y460-K501 HydrophobicContact CD1-CD 4Å; Y460-K501 HydrophobicContact CD2-CB 4.18Å; Y460-K501 HydrophobicContact CD2-CD 3.85Å; Y460-K501 HydrophobicContact CD2-CG 4.1Å; Y460-K501 HydrophobicContact CE1-CB 4.21Å; Y460-K501 HydrophobicContact CE1-CD 4.38Å; Y460-K501 HydrophobicContact CE2-CB 3.67Å; Y460-K501 HydrophobicContact CE2-CD 4.21Å; Y460-K501 HydrophobicContact CE2-CG 4.09Å; Y460-K501 HydrophobicContact CG-CD 3.75Å; Y460-K501 HydrophobicContact CG-CG 4.49Å; T499-K501 PolarHBondContact O-N 3.06Å; K501-Q503 PolarHBondContact O-N 2.72Å |
| 502 | K | 56.1 | Low | 69.2 | Low | 134 Ų | 134 | 56.7 Ų | 56.7 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -38 | -171.9 | -113.6 | 178.4 | 177.7 | -179.7 | 0 | 117 | A540 A541 | K502-A540 WeakPolarHBondContact CE-O 3.43Å; K502-A541 HydrophobicContact CG-CB 4.12Å |
| 503 | Q | 53.8 | Low | 68.9 | Low | 178 Ų | 178 | 58.5 Ų | 58.5 | 83% | 0.832 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -9.4 | -149.8 | -111.7 | 163.6 | -28.7 | 0 | 0 | 116.7 | K501 | K501-Q503 PolarHBondContact O-N 2.72Š|
| 504 | Q | 54.5 | Low | 68.8 | Low | 114 Ų | 114 | 61 Ų | 61 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | -1.9 | -168.4 | -71.7 | -179.1 | -8.4 | 0 | 0 | 116.5 | Y460 | Y460-Q504 HydrophobicContact CE1-CB 4.43Š|
| 505 | C | 56.8 | Low | 68.6 | Low | 7 Ų | 7 | 63.2 Ų | 63.2 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | trans | -97.1 | 7.5 | 179.9 | -77.2 | 0 | 0 | 0 | 0 | 115.3 | Y460 A498 S507 I508 I509 | Y460-C505 PolarHBondContact OH-SG 3.32Å; A498-C505 PolarHBondContact O-SG 3.37Å; C505-S507 PolarHBondContact O-N 3.07Å; C505-I508 HydrophobicContact CB-CD1 4.4Å; C505-I508 WeakPolarHBondContact O-CA 3.47Å; C505-I508 WeakPolarHBondContact O-CB 3.24Å; C505-I508 PolarHBondContact O-N 3.22Å; C505-I509 HydrophobicContact CB-CG1 4.4Å; C505-I509 VanDerWaalsContact O-CG1 3.27Å; C505-I509 WeakPolarHBondContact O-CG1 3.3Å; C505-I509 PolarHBondContact O-N 2.87Å | ||
| 506 | L | 58.8 | Low | 68.5 | Low | 128 Ų | 128 | 63 Ų | 63 | 67% | 0.67 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -51.5 | -36.5 | -173.2 | -73.7 | 171.5 | 0 | 0 | 0 | 114.8 | I508 I509 | L506-I508 VanDerWaalsContact C-N 3.33Å; L506-I508 PolarHBondContact O-N 3.25Å; L506-I509 HydrophobicContact CD2-CD1 4.28Å; L506-I509 PolarHBondContact O-N 3.16Å |
| 507 | S | 59.5 | Low | 68.6 | Low | 79 Ų | 79 | 67.9 Ų | 67.9 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.4 | -31.6 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | C505 S510 | C505-S507 PolarHBondContact O-N 3.07Å; S507-S510 PolarHBondContact O-OG 2.95Å |
| 508 | I | 63.9 | Low | 68.7 | Low | 17 Ų | 17 | 70.2 Ų | 70.2 | 9% | 0.087 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -78.2 | -37 | 177.4 | -55.6 | 176.6 | 0 | 0 | 0 | 110 | I467 F473 C505 L506 S510 K511 A512 | I467-I508 HydrophobicContact CB-CD1 4.39Å; I467-I508 HydrophobicContact CD1-CD1 4.14Å; I467-I508 HydrophobicContact CG1-CD1 4.13Å; I467-I508 HydrophobicContact CG2-CD1 3.37Å; F473-I508 HydrophobicContact CD2-CG2 3.86Å; F473-I508 HydrophobicContact CE1-CG2 4.1Å; F473-I508 HydrophobicContact CE2-CG2 3.29Å; F473-I508 HydrophobicContact CG-CG2 4.48Å; F473-I508 HydrophobicContact CZ-CG2 3.42Å; F473-I508 VanDerWaalsContact CZ-CG2 3.42Å; C505-I508 HydrophobicContact CB-CD1 4.4Å; C505-I508 WeakPolarHBondContact O-CA 3.47Å; C505-I508 WeakPolarHBondContact O-CB 3.24Å; C505-I508 PolarHBondContact O-N 3.22Å; L506-I508 VanDerWaalsContact C-N 3.33Å; L506-I508 PolarHBondContact O-N 3.25Å; I508-S510 VanDerWaalsContact C-N 3.34Å; I508-S510 PolarHBondContact O-N 3Å; I508-K511 PolarHBondContact O-N 2.97Å; I508-A512 WeakPolarHBondContact O-CB 3.49Å; I508-A512 PolarHBondContact O-N 3.37Å |
| 509 | I | 63.6 | Low | 68.8 | Low | 36 Ų | 36 | 71.1 Ų | 71.1 | 19% | 0.185 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.3 | -44.6 | -176.4 | -65.7 | 179.1 | 0 | 0 | 0 | 111.4 | C505 L506 K511 A512 V513 L538 | C505-I509 HydrophobicContact CB-CG1 4.4Å; C505-I509 VanDerWaalsContact O-CG1 3.27Å; C505-I509 WeakPolarHBondContact O-CG1 3.3Å; C505-I509 PolarHBondContact O-N 2.87Å; L506-I509 HydrophobicContact CD2-CD1 4.28Å; L506-I509 PolarHBondContact O-N 3.16Å; I509-K511 VanDerWaalsContact C-N 3.35Å; I509-K511 PolarHBondContact O-N 3.25Å; I509-A512 PolarHBondContact O-N 3.43Å; I509-V513 HydrophobicContact CG2-CG2 3.89Å; I509-V513 VanDerWaalsContact O-CG2 3.24Å; I509-V513 WeakPolarHBondContact O-CG2 3.46Å; I509-V513 PolarHBondContact O-N 3.27Å; I509-L538 HydrophobicContact CB-CD2 4.28Å; I509-L538 HydrophobicContact CD1-CD2 3.57Å; I509-L538 HydrophobicContact CG1-CD2 3.42Å; I509-L538 VanDerWaalsContact CG1-CD2 3.42Å; I509-L538 HydrophobicContact CG2-CD2 4.06Å |
| 510 | S | 66.8 | Low | 69.1 | Low | 84 Ų | 84 | 73 Ų | 73 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | -176.9 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | S507 I508 P514 | S507-S510 PolarHBondContact O-OG 2.95Å; I508-S510 VanDerWaalsContact C-N 3.34Å; I508-S510 PolarHBondContact O-N 3Å; S510-P514 WeakPolarHBondContact O-CD 3.45Å |
| 511 | K | 70.5 | Confident | 69.6 | Low | 110 Ų | 110 | 76 Ų | 76 | 48% | 0.478 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.4 | -36.3 | 175.5 | -73.7 | -173.9 | 171 | -169.6 | 0 | 112.5 | F473 D474 I508 I509 | F473-K511 HydrophobicContact CD1-CD 4.17Å; F473-K511 HydrophobicContact CE1-CB 3.81Å; F473-K511 HydrophobicContact CE1-CD 4.04Å; D474-K511 IonicContact OD1-NZ 3.03Å; D474-K511 PolarHBondContact OD1-NZ 2.92Å; I508-K511 PolarHBondContact O-N 2.97Å; I509-K511 VanDerWaalsContact C-N 3.35Å; I509-K511 PolarHBondContact O-N 3.25Å |
| 512 | A | 72.3 | Confident | 70.2 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -77.2 | -36.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F473 I508 I509 L515 L516 | F473-A512 HydrophobicContact CZ-CB 4.26Å; I508-A512 WeakPolarHBondContact O-CB 3.49Å; I508-A512 PolarHBondContact O-N 3.37Å; I509-A512 PolarHBondContact O-N 3.43Å; A512-L515 PolarHBondContact O-N 3.4Å; A512-L516 HydrophobicContact CB-CD1 4.25Å; A512-L516 WeakPolarHBondContact O-CG 3.2Å; A512-L516 PolarHBondContact O-N 3.27Å |
| 513 | V | 77.6 | Confident | 71.1 | Confident | 39 Ų | 39 | 73.1 Ų | 73.1 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.9 | -47.7 | -172.1 | 167.1 | 0 | 0 | 0 | 0 | 113.6 | I509 L515 L516 Q517 L538 | I509-V513 HydrophobicContact CG2-CG2 3.89Å; I509-V513 VanDerWaalsContact O-CG2 3.24Å; I509-V513 WeakPolarHBondContact O-CG2 3.46Å; I509-V513 PolarHBondContact O-N 3.27Å; V513-L515 VanDerWaalsContact C-N 3.32Å; V513-L515 PolarHBondContact O-N 3.24Å; V513-L516 PolarHBondContact O-N 3.34Å; V513-Q517 HydrophobicContact CG1-CG 4.37Å; V513-Q517 WeakPolarHBondContact O-CG 3.3Å; V513-Q517 PolarHBondContact O-N 3.09Å; V513-L538 HydrophobicContact CG2-CD1 3.92Å |
| 514 | P | 79.3 | Confident | 72.4 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 49% | 0.494 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 178.9 | -23.8 | 34.7 | 0 | 0 | 0 | 113.1 | S510 Q517 S518 | S510-P514 WeakPolarHBondContact O-CD 3.45Å; P514-Q517 PolarHBondContact O-N 3.17Å; P514-S518 PolarHBondContact O-N 3Å |
| 515 | L | 79.7 | Confident | 73.6 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 176.6 | -68 | 174.3 | 0 | 0 | 0 | 111.6 | L477 A512 V513 Q517 S518 L519 | L477-L515 HydrophobicContact CB-CD1 4.46Å; L477-L515 HydrophobicContact CD1-CD1 3.87Å; L477-L515 HydrophobicContact CD2-CD1 3.61Å; L477-L515 HydrophobicContact CG-CD1 4.19Å; A512-L515 PolarHBondContact O-N 3.4Å; V513-L515 VanDerWaalsContact C-N 3.32Å; V513-L515 PolarHBondContact O-N 3.24Å; L515-Q517 VanDerWaalsContact C-N 3.29Å; L515-Q517 PolarHBondContact O-N 3.48Å; L515-S518 PolarHBondContact O-N 3.2Å; L515-S518 PolarHBondContact O-OG 3.35Å; L515-L519 WeakPolarHBondContact O-CB 3.22Å; L515-L519 VanDerWaalsContact O-CG 3.27Å; L515-L519 WeakPolarHBondContact O-CG 3.46Å; L515-L519 PolarHBondContact O-N 3.21Å |
| 516 | L | 79.4 | Confident | 74.7 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 174.9 | -67.5 | 171.7 | 0 | 0 | 0 | 111.6 | L492 A512 V513 L519 Y520 A534 L535 L538 | L492-L516 HydrophobicContact CD2-CD2 4.18Å; A512-L516 HydrophobicContact CB-CD1 4.25Å; A512-L516 WeakPolarHBondContact O-CG 3.2Å; A512-L516 PolarHBondContact O-N 3.27Å; V513-L516 PolarHBondContact O-N 3.34Å; L516-L519 PolarHBondContact O-N 3.2Å; L516-Y520 VanDerWaalsContact O-CB 3.28Å; L516-Y520 WeakPolarHBondContact O-CB 3.34Å; L516-Y520 PolarHBondContact O-N 3.49Å; L516-A534 HydrophobicContact CD1-CB 3.65Å; L516-A534 HydrophobicContact CD2-CB 3.81Å; L516-A534 HydrophobicContact CG-CB 4.33Å; L516-L535 HydrophobicContact CB-CD2 3.9Å; L516-L535 HydrophobicContact CB-CG 4.04Å; L516-L538 HydrophobicContact CD1-CD1 3.65Å |
| 517 | Q | 81.5 | Confident | 75.7 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.6 | -35.1 | 174.1 | -73.5 | 175.8 | -8.2 | 0 | 0 | 112.9 | V513 P514 L515 L535 | V513-Q517 HydrophobicContact CG1-CG 4.37Å; V513-Q517 WeakPolarHBondContact O-CG 3.3Å; V513-Q517 PolarHBondContact O-N 3.09Å; P514-Q517 PolarHBondContact O-N 3.17Å; L515-Q517 VanDerWaalsContact C-N 3.29Å; L515-Q517 PolarHBondContact O-N 3.48Å; Q517-L535 HydrophobicContact CG-CD1 4.48Å; Q517-L535 HydrophobicContact CG-CD2 4.25Å |
| 518 | S | 80.1 | Confident | 76.8 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70 | -44 | 173.8 | 72 | 0 | 0 | 0 | 0 | 111.1 | P514 L515 Y520 K521 | P514-S518 PolarHBondContact O-N 3Å; L515-S518 PolarHBondContact O-N 3.2Å; L515-S518 PolarHBondContact O-OG 3.35Å; S518-Y520 VanDerWaalsContact C-N 3.3Å; S518-Y520 PolarHBondContact O-N 2.97Å; S518-K521 WeakPolarHBondContact O-CB 3.4Å; S518-K521 PolarHBondContact O-N 3.47Å |
| 519 | L | 80.9 | Confident | 77.8 | Confident | 23 Ų | 23 | 53 Ų | 53 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -28.7 | 177 | -67.6 | 175.2 | 0 | 0 | 0 | 113.1 | L492 L515 L516 K521 S522 T527 A531 | L492-L519 HydrophobicContact CD1-CD1 4.2Å; L492-L519 HydrophobicContact CD2-CD1 3.47Å; L492-L519 VanDerWaalsContact CD2-CD1 3.47Å; L492-L519 HydrophobicContact CG-CD1 4.34Å; L515-L519 WeakPolarHBondContact O-CB 3.22Å; L515-L519 VanDerWaalsContact O-CG 3.27Å; L515-L519 WeakPolarHBondContact O-CG 3.46Å; L515-L519 PolarHBondContact O-N 3.21Å; L516-L519 PolarHBondContact O-N 3.2Å; L519-K521 PolarHBondContact O-N 3.22Å; L519-S522 WeakPolarHBondContact O-CB 3.42Å; L519-S522 PolarHBondContact O-N 3.29Å; L519-T527 HydrophobicContact CB-CG2 4.04Å; L519-T527 HydrophobicContact CD2-CG2 3.9Å; L519-T527 HydrophobicContact CG-CG2 4.45Å; L519-A531 HydrophobicContact CB-CB 4.08Å |
| 520 | Y | 80.3 | Confident | 78.8 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -27.3 | 171.7 | 178.7 | -105.4 | 0 | 0 | 0 | 112.5 | L516 S518 S522 R528 L532 L535 L551 L559 | L516-Y520 VanDerWaalsContact O-CB 3.28Å; L516-Y520 WeakPolarHBondContact O-CB 3.34Å; L516-Y520 PolarHBondContact O-N 3.49Å; S518-Y520 VanDerWaalsContact C-N 3.3Å; S518-Y520 PolarHBondContact O-N 2.97Å; Y520-S522 VanDerWaalsContact C-N 3.3Å; Y520-R528 HydrophobicContact CD2-CG 4.34Å; Y520-R528 HydrophobicContact CE2-CG 4.48Å; Y520-R528 WeakPolarHBondContact O-CG 3.45Å; Y520-L532 HydrophobicContact CD2-CB 4.16Å; Y520-L532 HydrophobicContact CE2-CB 4.07Å; Y520-L532 HydrophobicContact CE2-CD1 4.06Å; Y520-L535 HydrophobicContact CG-CD1 4.39Å; Y520-L551 HydrophobicContact CE2-CD2 4.36Å; Y520-L551 WeakPolarHBondContact OH-CD2 3.37Å; Y520-L559 HydrophobicContact CE2-CD1 4.2Å; Y520-L559 HydrophobicContact CE2-CD2 3.8Å; Y520-L559 WeakPolarHBondContact OH-CD1 3.29Å |
| 521 | K | 80.9 | Confident | 79.5 | Confident | 172 Ų | 172 | 47.8 Ų | 47.8 | 75% | 0.748 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4.8 | 173.2 | -61.2 | 177.3 | -176.6 | 177 | 0 | 113.2 | S518 L519 | S518-K521 WeakPolarHBondContact O-CB 3.4Å; S518-K521 PolarHBondContact O-N 3.47Å; L519-K521 PolarHBondContact O-N 3.22Å |
| 522 | S | 79 | Confident | 80 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | trans | -53.9 | 144.2 | 177.5 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | L519 Y520 N524 R528 | L519-S522 WeakPolarHBondContact O-CB 3.42Å; L519-S522 PolarHBondContact O-N 3.29Å; Y520-S522 VanDerWaalsContact C-N 3.3Å; S522-N524 PolarHBondContact O-N 3.41Å; S522-N524 PolarHBondContact OG-N 3.02Å; S522-R528 PolarHBondContact O-NE 3.1Å; S522-R528 PolarHBondContact O-NH2 3.18Å | ||
| 523 | E | 74.8 | Confident | 80.4 | Confident | 162 Ų | 162 | 42.4 Ų | 42.4 | 76% | 0.757 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -70.2 | -24.4 | 173.6 | -63.3 | -169.1 | 164.9 | 0 | 0 | 112.5 | D525 Q572 | E523-D525 PolarHBondContact O-N 3.41Å; E523-Q572 PolarHBondContact O-NE2 3.07Å |
| 524 | N | 79.9 | Confident | 80.4 | Confident | 38 Ų | 38 | 40.6 Ų | 40.6 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | trans | -72.7 | 120 | 179.2 | -176.8 | -21.6 | 0 | 0 | 0 | 110.9 | S522 G526 T527 R528 | S522-N524 PolarHBondContact O-N 3.41Å; S522-N524 PolarHBondContact OG-N 3.02Å; N524-G526 VanDerWaalsContact C-N 3.3Å; N524-G526 PolarHBondContact O-N 3.13Å; N524-G526 PolarHBondContact OD1-N 3.11Å; N524-T527 PolarHBondContact ND2-OG1 3.25Å; N524-T527 PolarHBondContact O-N 3.4Å; N524-R528 VanDerWaalsContact O-CB 3.23Å; N524-R528 WeakPolarHBondContact O-CB 3.48Å; N524-R528 PolarHBondContact O-N 3.36Å | ||
| 525 | D | 80.5 | Confident | 80.3 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 179.8 | -73.6 | -30.5 | 0 | 0 | 0 | 112.7 | E523 R528 I529 A562 R565 L566 | E523-D525 PolarHBondContact O-N 3.41Å; D525-R528 PolarHBondContact O-N 3.1Å; D525-R528 IonicContact OD1-NH1 3.31Å; D525-R528 PolarHBondContact OD1-NH1 2.63Å; D525-I529 WeakPolarHBondContact O-CB 3.29Å; D525-I529 VanDerWaalsContact O-CG1 3.28Å; D525-I529 WeakPolarHBondContact O-CG1 3.48Å; D525-I529 PolarHBondContact O-N 3.18Å; D525-A562 HydrophobicContact CB-CB 4.2Å; D525-A562 VanDerWaalsContact OD1-CB 3.29Å; D525-A562 WeakPolarHBondContact OD1-CB 3.35Å; D525-R565 VanDerWaalsContact CG-NH2 3.29Å; D525-R565 IonicContact OD1-CZ 2.64Å; D525-R565 IonicContact OD1-NE 3.93Å; D525-R565 IonicContact OD1-NH2 3.86Å; D525-R565 PolarHBondContact OD1-NH2 3.11Å; D525-R565 IonicContact OD2-CZ 3.93Å; D525-R565 VanDerWaalsContact OD2-CZ 3.28Å; D525-R565 IonicContact OD2-NE 2.86Å; D525-R565 PolarHBondContact OD2-NE 3.01Å; D525-R565 IonicContact OD2-NH2 3.25Å; D525-R565 PolarHBondContact OD2-NH2 3.09Å; D525-L566 HydrophobicContact CB-CD1 4.3Å; D525-L566 HydrophobicContact CB-CD2 3.88Å; D525-L566 HydrophobicContact CB-CG 3.88Å |
| 526 | G | 78.9 | Confident | 80.2 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -42 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N524 R530 | N524-G526 VanDerWaalsContact C-N 3.3Å; N524-G526 PolarHBondContact O-N 3.13Å; N524-G526 PolarHBondContact OD1-N 3.11Å; G526-R530 WeakPolarHBondContact O-CD 3.37Å; G526-R530 VanDerWaalsContact O-CG 3.29Å; G526-R530 WeakPolarHBondContact O-CG 3.39Å; G526-R530 PolarHBondContact O-N 2.87Å; G526-R530 PolarHBondContact O-NH1 3.02Å |
| 527 | T | 80.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -45.1 | 176 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | Q488 L492 L519 N524 I529 R530 A531 | Q488-T527 PolarHBondContact OE1-OG1 3Å; L492-T527 HydrophobicContact CD1-CG2 3.88Å; L519-T527 HydrophobicContact CB-CG2 4.04Å; L519-T527 HydrophobicContact CD2-CG2 3.9Å; L519-T527 HydrophobicContact CG-CG2 4.45Å; N524-T527 PolarHBondContact ND2-OG1 3.25Å; N524-T527 PolarHBondContact O-N 3.4Å; T527-I529 PolarHBondContact O-N 3.24Å; T527-R530 PolarHBondContact O-N 3.26Å; T527-A531 WeakPolarHBondContact O-CB 3.44Å; T527-A531 PolarHBondContact O-N 2.97Å |
| 528 | R | 82.6 | Confident | 79.3 | Confident | 56 Ų | 56 | 33.6 Ų | 33.6 | 21% | 0.211 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 178.3 | 178.8 | -178.3 | -61.8 | 143.2 | -9.3 | 112.4 | Y520 S522 N524 D525 A531 L532 L559 | Y520-R528 HydrophobicContact CD2-CG 4.34Å; Y520-R528 HydrophobicContact CE2-CG 4.48Å; Y520-R528 WeakPolarHBondContact O-CG 3.45Å; S522-R528 PolarHBondContact O-NE 3.1Å; S522-R528 PolarHBondContact O-NH2 3.18Å; N524-R528 VanDerWaalsContact O-CB 3.23Å; N524-R528 WeakPolarHBondContact O-CB 3.48Å; N524-R528 PolarHBondContact O-N 3.36Å; D525-R528 PolarHBondContact O-N 3.1Å; D525-R528 IonicContact OD1-NH1 3.31Å; D525-R528 PolarHBondContact OD1-NH1 2.63Å; R528-A531 PolarHBondContact O-N 3.03Å; R528-L532 WeakPolarHBondContact O-CB 3.38Å; R528-L532 PolarHBondContact O-N 3.22Å; R528-L559 HydrophobicContact CG-CD2 4.05Å |
| 529 | I | 84.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.5 | -39.4 | -178.6 | -70.4 | 165.4 | 0 | 0 | 0 | 111.6 | D525 T527 A531 L532 V533 A562 C563 L566 W643 | D525-I529 WeakPolarHBondContact O-CB 3.29Å; D525-I529 VanDerWaalsContact O-CG1 3.28Å; D525-I529 WeakPolarHBondContact O-CG1 3.48Å; D525-I529 PolarHBondContact O-N 3.18Å; T527-I529 PolarHBondContact O-N 3.24Å; I529-A531 VanDerWaalsContact C-N 3.34Å; I529-A531 PolarHBondContact O-N 3.41Å; I529-L532 WeakPolarHBondContact O-CB 3.49Å; I529-L532 PolarHBondContact O-N 3.05Å; I529-V533 HydrophobicContact CG2-CG2 4.42Å; I529-V533 WeakPolarHBondContact O-CG2 3.41Å; I529-V533 PolarHBondContact O-N 3.33Å; I529-A562 HydrophobicContact CD1-CB 3.99Å; I529-A562 HydrophobicContact CG1-CB 4.42Å; I529-C563 HydrophobicContact CD1-CB 4.34Å; I529-L566 HydrophobicContact CD1-CD1 3.49Å; I529-L566 VanDerWaalsContact CD1-CD1 3.49Å; I529-L566 HydrophobicContact CD1-CG 4.17Å; I529-W643 WeakPolarHBondContact CG2-O 3.36Å |
| 530 | R | 84.8 | Confident | 77.6 | Confident | 11 Ų | 11 | 34.2 Ų | 34.2 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 173.1 | -74.9 | 171.8 | 178.5 | 91.8 | -7.5 | 111.8 | T489 L492 D493 G526 T527 V533 A534 W643 | T489-R530 VanDerWaalsContact CG2-CZ 3.47Å; L492-R530 HydrophobicContact CB-CB 4.44Å; D493-R530 WeakPolarHBondContact OD1-CD 3.45Å; D493-R530 IonicContact OD1-CZ 2.86Å; D493-R530 IonicContact OD1-NE 3.99Å; D493-R530 PolarHBondContact OD1-NE 3.38Å; D493-R530 IonicContact OD1-NH2 2.84Å; G526-R530 WeakPolarHBondContact O-CD 3.37Å; G526-R530 VanDerWaalsContact O-CG 3.29Å; G526-R530 WeakPolarHBondContact O-CG 3.39Å; G526-R530 PolarHBondContact O-N 2.87Å; G526-R530 PolarHBondContact O-NH1 3.02Å; T527-R530 PolarHBondContact O-N 3.26Å; R530-V533 PolarHBondContact O-N 3.42Å; R530-A534 WeakPolarHBondContact O-CB 3.48Å; R530-A534 PolarHBondContact O-N 3Å; R530-W643 HydrophobicContact CG-CD2 3.67Å; R530-W643 HydrophobicContact CG-CE3 3.75Å; R530-W643 HydrophobicContact CG-CG 4.13Å; R530-W643 HydrophobicContact CG-CH2 4.41Å; R530-W643 HydrophobicContact CG-CZ2 4.34Å; R530-W643 HydrophobicContact CG-CZ3 4.12Å |
| 531 | A | 81.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L519 T527 R528 I529 A534 L535 | L519-A531 HydrophobicContact CB-CB 4.08Å; T527-A531 WeakPolarHBondContact O-CB 3.44Å; T527-A531 PolarHBondContact O-N 2.97Å; R528-A531 PolarHBondContact O-N 3.03Å; I529-A531 VanDerWaalsContact C-N 3.34Å; I529-A531 PolarHBondContact O-N 3.41Å; A531-A534 PolarHBondContact O-N 3.32Å; A531-L535 WeakPolarHBondContact O-CB 3.4Å; A531-L535 VanDerWaalsContact O-CG 3.24Å; A531-L535 WeakPolarHBondContact O-CG 3.37Å; A531-L535 PolarHBondContact O-N 3.38Å |
| 532 | L | 82.5 | Confident | 74.7 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.4 | -54.2 | 172.4 | 171.1 | 72.3 | 0 | 0 | 0 | 111.4 | Y520 R528 I529 A534 L535 C536 L551 L559 I651 | Y520-L532 HydrophobicContact CD2-CB 4.16Å; Y520-L532 HydrophobicContact CE2-CB 4.07Å; Y520-L532 HydrophobicContact CE2-CD1 4.06Å; R528-L532 WeakPolarHBondContact O-CB 3.38Å; R528-L532 PolarHBondContact O-N 3.22Å; I529-L532 WeakPolarHBondContact O-CB 3.49Å; I529-L532 PolarHBondContact O-N 3.05Å; L532-A534 VanDerWaalsContact C-N 3.29Å; L532-A534 PolarHBondContact O-N 3.45Å; L532-L535 PolarHBondContact O-N 3.21Å; L532-L535 VanDerWaalsContact O-N 3.15Å; L532-C536 WeakPolarHBondContact O-CB 3.27Å; L532-C536 PolarHBondContact O-N 3.04Å; L532-C536 PolarHBondContact O-SG 3.34Å; L532-C536 VanDerWaalsContact O-SG 3.32Å; L532-L551 HydrophobicContact CD1-CD1 3.5Å; L532-L551 HydrophobicContact CD1-CD2 3.42Å; L532-L551 VanDerWaalsContact CD1-CD2 3.42Å; L532-L551 HydrophobicContact CD1-CG 4.03Å; L532-L559 HydrophobicContact CD1-CD1 3.72Å; L532-L559 HydrophobicContact CD2-CD1 3.72Å; L532-L559 HydrophobicContact CD2-CD2 4.15Å; L532-L559 HydrophobicContact CD2-CG 4.33Å; L532-L559 HydrophobicContact CG-CD1 4.3Å; L532-I651 HydrophobicContact CD2-CG2 4.21Å |
| 533 | V | 79.5 | Confident | 73 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | -177.2 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | V496 I529 R530 C536 K537 W643 E646 Y650 | V496-V533 HydrophobicContact CG1-CG1 3.82Å; I529-V533 HydrophobicContact CG2-CG2 4.42Å; I529-V533 WeakPolarHBondContact O-CG2 3.41Å; I529-V533 PolarHBondContact O-N 3.33Å; R530-V533 PolarHBondContact O-N 3.42Å; V533-C536 PolarHBondContact O-N 3.02Å; V533-K537 HydrophobicContact CG1-CD 3.95Å; V533-K537 HydrophobicContact CG1-CG 4.44Å; V533-K537 WeakPolarHBondContact O-CB 3.16Å; V533-K537 WeakPolarHBondContact O-CG 3.49Å; V533-K537 PolarHBondContact O-N 3.12Å; V533-W643 HydrophobicContact CB-CZ3 4.23Å; V533-W643 HydrophobicContact CG1-CZ3 4.06Å; V533-E646 HydrophobicContact CG1-CG 3.79Å; V533-E646 HydrophobicContact CG2-CB 4.41Å; V533-E646 HydrophobicContact CG2-CG 3.94Å; V533-Y650 HydrophobicContact CG1-CE2 4.02Å; V533-Y650 HydrophobicContact CG2-CD2 4.35Å |
| 534 | A | 77.7 | Confident | 71.3 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -50.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | V496 L516 R530 A531 L532 C536 K537 L538 | V496-A534 HydrophobicContact CG2-CB 3.79Å; L516-A534 HydrophobicContact CD1-CB 3.65Å; L516-A534 HydrophobicContact CD2-CB 3.81Å; L516-A534 HydrophobicContact CG-CB 4.33Å; R530-A534 WeakPolarHBondContact O-CB 3.48Å; R530-A534 PolarHBondContact O-N 3Å; A531-A534 PolarHBondContact O-N 3.32Å; L532-A534 VanDerWaalsContact C-N 3.29Å; L532-A534 PolarHBondContact O-N 3.45Å; A534-C536 PolarHBondContact O-N 3.37Å; A534-K537 PolarHBondContact O-N 3Å; A534-L538 WeakPolarHBondContact O-CB 3.49Å; A534-L538 WeakPolarHBondContact O-CG 3.35Å; A534-L538 PolarHBondContact O-N 2.89Å |
| 535 | L | 78 | Confident | 69 | Low | 36 Ų | 36 | 30.1 Ų | 30.1 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 179.4 | -71.1 | 169.4 | 0 | 0 | 0 | 112.2 | L516 Q517 Y520 A531 L532 L538 G539 | L516-L535 HydrophobicContact CB-CD2 3.9Å; L516-L535 HydrophobicContact CB-CG 4.04Å; Q517-L535 HydrophobicContact CG-CD1 4.48Å; Q517-L535 HydrophobicContact CG-CD2 4.25Å; Y520-L535 HydrophobicContact CG-CD1 4.39Å; A531-L535 WeakPolarHBondContact O-CB 3.4Å; A531-L535 VanDerWaalsContact O-CG 3.24Å; A531-L535 WeakPolarHBondContact O-CG 3.37Å; A531-L535 PolarHBondContact O-N 3.38Å; L532-L535 PolarHBondContact O-N 3.21Å; L532-L535 VanDerWaalsContact O-N 3.15Å; L535-L538 PolarHBondContact O-N 3.47Å; L535-G539 PolarHBondContact O-N 3.14Å |
| 536 | C | 76.2 | Confident | 66.8 | Low | 15 Ų | 15 | 35.3 Ų | 35.3 | 10% | 0.101 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 176.4 | -71 | 0 | 0 | 0 | 0 | 112.1 | L532 V533 A534 L538 G539 A540 Y650 | L532-C536 WeakPolarHBondContact O-CB 3.27Å; L532-C536 PolarHBondContact O-N 3.04Å; L532-C536 PolarHBondContact O-SG 3.34Å; L532-C536 VanDerWaalsContact O-SG 3.32Å; V533-C536 PolarHBondContact O-N 3.02Å; A534-C536 PolarHBondContact O-N 3.37Å; C536-L538 VanDerWaalsContact C-N 3.34Å; C536-G539 PolarHBondContact O-N 3.35Å; C536-A540 PolarHBondContact O-N 3.49Å; C536-Y650 HydrophobicContact CB-CD1 3.64Å; C536-Y650 HydrophobicContact CB-CD2 4.46Å; C536-Y650 HydrophobicContact CB-CE1 3.96Å; C536-Y650 HydrophobicContact CB-CG 3.92Å |
| 537 | K | 72.9 | Confident | 64.6 | Low | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 177.1 | -74.7 | 179.2 | -177.4 | 179.3 | 0 | 111.6 | V496 T499 H500 V533 A534 A540 A541 E646 Y650 | V496-K537 HydrophobicContact CG1-CD 4.2Å; T499-K537 WeakPolarHBondContact OG1-CB 3.12Å; H500-K537 PolarHBondContact CE1-NZ 3.2Å; H500-K537 PolarHBondContact NE2-NZ 3.43Å; V533-K537 HydrophobicContact CG1-CD 3.95Å; V533-K537 HydrophobicContact CG1-CG 4.44Å; V533-K537 WeakPolarHBondContact O-CB 3.16Å; V533-K537 WeakPolarHBondContact O-CG 3.49Å; V533-K537 PolarHBondContact O-N 3.12Å; A534-K537 PolarHBondContact O-N 3Å; K537-A540 PolarHBondContact O-N 3.25Å; K537-A541 PolarHBondContact O-N 3.04Å; K537-E646 WeakPolarHBondContact CE-OE1 3.44Å; K537-E646 IonicContact NZ-OE1 3.18Å; K537-E646 PolarHBondContact NZ-OE1 2.68Å; K537-Y650 WeakPolarHBondContact CE-OH 3.49Å; K537-Y650 HydrophobicContact CG-CE2 4.5Å; K537-Y650 WeakPolarHBondContact CG-OH 3.39Å |
| 538 | L | 69.9 | Low | 62.6 | Low | 16 Ų | 16 | 43.1 Ų | 43.1 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 173.5 | -71.9 | 175.8 | 0 | 0 | 0 | 112.7 | T499 I509 V513 L516 A534 L535 C536 A540 A541 G542 | T499-L538 HydrophobicContact CG2-CD1 4.27Å; T499-L538 HydrophobicContact CG2-CD2 3.46Å; T499-L538 VanDerWaalsContact CG2-CD2 3.46Å; T499-L538 HydrophobicContact CG2-CG 3.73Å; I509-L538 HydrophobicContact CB-CD2 4.28Å; I509-L538 HydrophobicContact CD1-CD2 3.57Å; I509-L538 HydrophobicContact CG1-CD2 3.42Å; I509-L538 VanDerWaalsContact CG1-CD2 3.42Å; I509-L538 HydrophobicContact CG2-CD2 4.06Å; V513-L538 HydrophobicContact CG2-CD1 3.92Å; L516-L538 HydrophobicContact CD1-CD1 3.65Å; A534-L538 WeakPolarHBondContact O-CB 3.49Å; A534-L538 WeakPolarHBondContact O-CG 3.35Å; A534-L538 PolarHBondContact O-N 2.89Å; L535-L538 PolarHBondContact O-N 3.47Å; C536-L538 VanDerWaalsContact C-N 3.34Å; L538-A540 VanDerWaalsContact C-N 3.33Å; L538-A540 PolarHBondContact O-N 2.8Å; L538-A541 WeakPolarHBondContact O-CB 3.49Å; L538-A541 PolarHBondContact O-N 3.27Å; L538-A541 VanDerWaalsContact O-N 3.09Å; L538-G542 PolarHBondContact O-N 3.11Å |
| 539 | G | 62.8 | Low | 60.5 | Low | 35 Ų | 35 | 49.1 Ų | 49.1 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L535 C536 A541 G542 | L535-G539 PolarHBondContact O-N 3.14Å; C536-G539 PolarHBondContact O-N 3.35Å; G539-A541 VanDerWaalsContact C-N 3.27Å; G539-A541 PolarHBondContact O-N 3.22Å; G539-G542 PolarHBondContact O-N 2.91Å |
| 540 | A | 62.1 | Low | 58.8 | Low | 67 Ų | 67 | 52.5 Ų | 52.5 | 55% | 0.554 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.7 | -27.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K502 C536 K537 L538 | K502-A540 WeakPolarHBondContact CE-O 3.43Å; C536-A540 PolarHBondContact O-N 3.49Å; K537-A540 PolarHBondContact O-N 3.25Å; L538-A540 VanDerWaalsContact C-N 3.33Å; L538-A540 PolarHBondContact O-N 2.8Å |
| 541 | A | 52.6 | Low | 57.1 | Low | 18 Ų | 18 | 53.8 Ų | 53.8 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.8 | -28.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K502 K537 L538 G539 G543 | K502-A541 HydrophobicContact CG-CB 4.12Å; K537-A541 PolarHBondContact O-N 3.04Å; L538-A541 WeakPolarHBondContact O-CB 3.49Å; L538-A541 PolarHBondContact O-N 3.27Å; L538-A541 VanDerWaalsContact O-N 3.09Å; G539-A541 VanDerWaalsContact C-N 3.27Å; G539-A541 PolarHBondContact O-N 3.22Å; A541-G543 VanDerWaalsContact C-N 3.29Å; A541-G543 PolarHBondContact O-N 3.25Å; A541-G543 VanDerWaalsContact O-N 3.12Å |
| 542 | G | 48 | Very low | 55.5 | Low | 54 Ų | 54 | 59 Ų | 59 | 56% | 0.557 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 3.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | L538 G539 T544 | L538-G542 PolarHBondContact O-N 3.11Å; G539-G542 PolarHBondContact O-N 2.91Å; G542-T544 PolarHBondContact O-N 3.29Å |
| 543 | G | 42.9 | Very low | 54 | Low | 58 Ų | 58 | 65.9 Ų | 65.9 | 60% | 0.598 | 42% | 0.424 | S | S | * | . | trans | 77.1 | -29.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 121 | A541 | A541-G543 VanDerWaalsContact C-N 3.29Å; A541-G543 PolarHBondContact O-N 3.25Å; A541-G543 VanDerWaalsContact O-N 3.12Å | ||
| 544 | T | 39.6 | Very low | 52.7 | Low | 136 Ų | 136 | 68.6 Ų | 68.6 | 83% | 0.834 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -145.2 | -6.7 | -176.2 | 48.3 | 0 | 0 | 0 | 0 | 118.3 | G542 | G542-T544 PolarHBondContact O-N 3.29Š|
| 545 | D | 30.9 | Very low | 52.3 | Low | 108 Ų | 108 | 69.3 Ų | 69.3 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | trans | -106.9 | 96.5 | 177.2 | -102.4 | -43.4 | 0 | 0 | 0 | 112 | S547 V548 | D545-S547 PolarHBondContact O-N 3.46Å; D545-S547 VanDerWaalsContact O-N 3.12Å; D545-S547 PolarHBondContact OD1-OG 3.32Å; D545-V548 HydrophobicContact CB-CG2 3.81Å; D545-V548 PolarHBondContact O-N 3.39Å | ||
| 546 | A | 34.5 | Very low | 52.3 | Low | 110 Ų | 110 | 68.3 Ų | 68.3 | 91% | 0.909 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -12.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 547 | S | 34 | Very low | 52.4 | Low | 82 Ų | 82 | 69.6 Ų | 69.6 | 57% | 0.573 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -7.5 | 177.5 | 78.5 | 0 | 0 | 0 | 0 | 114.5 | D545 K549 | D545-S547 PolarHBondContact O-N 3.46Å; D545-S547 VanDerWaalsContact O-N 3.12Å; D545-S547 PolarHBondContact OD1-OG 3.32Å; S547-K549 PolarHBondContact O-N 2.66Å |
| 548 | V | 37.7 | Very low | 52.6 | Low | 86 Ų | 86 | 74.5 Ų | 74.5 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | trans | -72.9 | 69.4 | 165.6 | -167.8 | 0 | 0 | 0 | 0 | 108.6 | D545 S550 | D545-V548 HydrophobicContact CB-CG2 3.81Å; D545-V548 PolarHBondContact O-N 3.39Å; V548-S550 PolarHBondContact O-N 2.86Å | ||
| 549 | K | 39 | Very low | 53.2 | Low | 183 Ų | 183 | 73.9 Ų | 73.9 | 80% | 0.796 | 48% | 0.483 | S | S | * | . | trans | -61.1 | 75 | 156.4 | -74.3 | -174 | 174.6 | -171.6 | 0 | 106.8 | S547 L551 | S547-K549 PolarHBondContact O-N 2.66Å; K549-L551 PolarHBondContact O-N 2.84Å | ||
| 550 | S | 48.3 | Very low | 54.3 | Low | 70 Ų | 70 | 72.5 Ų | 72.5 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | trans | -66.7 | -19.3 | -171.6 | 32.2 | 0 | 0 | 0 | 0 | 112.5 | V548 | V548-S550 PolarHBondContact O-N 2.86Š| ||
| 551 | L | 49 | Very low | 55.5 | Low | 39 Ų | 39 | 74 Ų | 74 | 20% | 0.204 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -128.7 | 121.9 | -179.2 | -71.4 | 130.5 | 0 | 0 | 0 | 110.3 | Y520 L532 K549 L559 | Y520-L551 HydrophobicContact CE2-CD2 4.36Å; Y520-L551 WeakPolarHBondContact OH-CD2 3.37Å; L532-L551 HydrophobicContact CD1-CD1 3.5Å; L532-L551 HydrophobicContact CD1-CD2 3.42Å; L532-L551 VanDerWaalsContact CD1-CD2 3.42Å; L532-L551 HydrophobicContact CD1-CG 4.03Å; K549-L551 PolarHBondContact O-N 2.84Å; L551-L559 HydrophobicContact CD2-CD1 3.55Å |
| 552 | T | 48.2 | Very low | 57 | Low | 110 Ų | 110 | 73.1 Ų | 73.1 | 68% | 0.675 | 45% | 0.454 | S | S | * | . | trans | -64.1 | 140.4 | 171.1 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | G554 S555 | T552-G554 PolarHBondContact O-N 2.87Å; T552-S555 WeakPolarHBondContact O-CB 3.37Å; T552-S555 PolarHBondContact O-N 3.28Å; T552-S555 PolarHBondContact O-OG 2.84Å | ||
| 553 | E | 49.6 | Very low | 58.9 | Low | 145 Ų | 145 | 70.5 Ų | 70.5 | 68% | 0.678 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -50.2 | -38.8 | -173.1 | -75.2 | 165.4 | -174.4 | 0 | 0 | 113.7 | S555 N556 | E553-S555 VanDerWaalsContact C-N 3.3Å; E553-S555 PolarHBondContact O-N 2.97Å; E553-N556 PolarHBondContact O-N 3.47Å |
| 554 | G | 52.8 | Low | 61.1 | Low | 57 Ų | 57 | 69.8 Ų | 69.8 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.8 | -21.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T552 | T552-G554 PolarHBondContact O-N 2.87Å |
| 555 | S | 70.1 | Confident | 63.3 | Low | 15 Ų | 15 | 67 Ų | 67 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.7 | -27.9 | 178.6 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | T552 E553 V557 L558 L559 | T552-S555 WeakPolarHBondContact O-CB 3.37Å; T552-S555 PolarHBondContact O-N 3.28Å; T552-S555 PolarHBondContact O-OG 2.84Å; E553-S555 VanDerWaalsContact C-N 3.3Å; E553-S555 PolarHBondContact O-N 2.97Å; S555-V557 PolarHBondContact O-N 3.26Å; S555-L558 PolarHBondContact O-N 3.38Å; S555-L559 VanDerWaalsContact O-CG 3.3Å; S555-L559 WeakPolarHBondContact O-CG 3.17Å; S555-L559 PolarHBondContact O-N 3.3Å |
| 556 | N | 77.7 | Confident | 65.8 | Low | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.08 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | -176.9 | -66.8 | -35.4 | 0 | 0 | 0 | 112.9 | E553 L559 L560 N654 V657 | E553-N556 PolarHBondContact O-N 3.47Å; N556-L559 PolarHBondContact O-N 2.84Å; N556-L560 WeakPolarHBondContact O-CB 3.35Å; N556-L560 PolarHBondContact O-N 3.11Å; N556-N654 PolarHBondContact ND2-ND2 2.64Å; N556-V657 HydrophobicContact CB-CG2 3.79Å |
| 557 | V | 76.9 | Confident | 68.2 | Low | 43 Ų | 43 | 58.2 Ų | 58.2 | 26% | 0.261 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | S555 L559 L560 K561 E660 | S555-V557 PolarHBondContact O-N 3.26Å; V557-L559 VanDerWaalsContact C-N 3.33Å; V557-L560 PolarHBondContact O-N 3.45Å; V557-K561 WeakPolarHBondContact O-CG 3.42Å; V557-K561 PolarHBondContact O-N 3.05Å; V557-E660 WeakPolarHBondContact CG1-OE2 3.25Å; V557-E660 WeakPolarHBondContact CG2-OE2 3.46Å |
| 558 | L | 77.5 | Confident | 70.6 | Confident | 118 Ų | 118 | 56.4 Ų | 56.4 | 62% | 0.618 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 175.2 | -67.6 | 176.3 | 0 | 0 | 0 | 111.4 | S555 K561 A562 | S555-L558 PolarHBondContact O-N 3.38Å; L558-K561 WeakPolarHBondContact O-CB 3.48Å; L558-K561 PolarHBondContact O-N 3.36Å; L558-A562 PolarHBondContact O-N 3.37Å |
| 559 | L | 83 | Confident | 72.3 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 175 | -68.4 | 168.9 | 0 | 0 | 0 | 112.1 | Y520 R528 L532 L551 S555 N556 V557 K561 A562 C563 I651 | Y520-L559 HydrophobicContact CE2-CD1 4.2Å; Y520-L559 HydrophobicContact CE2-CD2 3.8Å; Y520-L559 WeakPolarHBondContact OH-CD1 3.29Å; R528-L559 HydrophobicContact CG-CD2 4.05Å; L532-L559 HydrophobicContact CD1-CD1 3.72Å; L532-L559 HydrophobicContact CD2-CD1 3.72Å; L532-L559 HydrophobicContact CD2-CD2 4.15Å; L532-L559 HydrophobicContact CD2-CG 4.33Å; L532-L559 HydrophobicContact CG-CD1 4.3Å; L551-L559 HydrophobicContact CD2-CD1 3.55Å; S555-L559 VanDerWaalsContact O-CG 3.3Å; S555-L559 WeakPolarHBondContact O-CG 3.17Å; S555-L559 PolarHBondContact O-N 3.3Å; N556-L559 PolarHBondContact O-N 2.84Å; V557-L559 VanDerWaalsContact C-N 3.33Å; L559-K561 VanDerWaalsContact C-N 3.28Å; L559-K561 PolarHBondContact O-N 3.22Å; L559-A562 WeakPolarHBondContact O-CB 3.49Å; L559-A562 PolarHBondContact O-N 3.45Å; L559-A562 VanDerWaalsContact O-N 3.13Å; L559-C563 PolarHBondContact O-N 2.92Å; L559-C563 PolarHBondContact O-SG 3.04Å; L559-I651 HydrophobicContact CB-CG2 4.39Å; L559-I651 HydrophobicContact CD1-CG2 4.32Å |
| 560 | L | 86.2 | Confident | 73.7 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 172.4 | 179.8 | 62.8 | 0 | 0 | 0 | 110.7 | N556 V557 A562 C563 R564 M648 I651 V657 E660 I661 L667 | N556-L560 WeakPolarHBondContact O-CB 3.35Å; N556-L560 PolarHBondContact O-N 3.11Å; V557-L560 PolarHBondContact O-N 3.45Å; L560-A562 VanDerWaalsContact C-N 3.33Å; L560-A562 PolarHBondContact O-N 3.32Å; L560-C563 PolarHBondContact O-N 3.41Å; L560-R564 WeakPolarHBondContact O-CB 3.35Å; L560-R564 PolarHBondContact O-N 2.99Å; L560-M648 HydrophobicContact CD1-CE 3.93Å; L560-I651 HydrophobicContact CB-CD1 3.92Å; L560-I651 HydrophobicContact CD1-CD1 4.02Å; L560-V657 HydrophobicContact CD1-CG1 4.3Å; L560-V657 HydrophobicContact CD2-CG1 4.25Å; L560-E660 HydrophobicContact CD2-CB 3.9Å; L560-E660 HydrophobicContact CD2-CG 3.76Å; L560-I661 HydrophobicContact CD1-CD1 3.88Å; L560-I661 HydrophobicContact CD1-CG1 3.55Å; L560-I661 HydrophobicContact CD2-CG1 4.02Å; L560-I661 HydrophobicContact CG-CG1 4.43Å; L560-L667 HydrophobicContact CD1-CD2 4.03Å |
| 561 | K | 86.7 | Confident | 74 | Confident | 97 Ų | 97 | 57 Ų | 57 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 175.4 | -70.9 | 173.3 | -176.3 | 176.2 | 0 | 112.5 | V557 L558 L559 R565 | V557-K561 WeakPolarHBondContact O-CG 3.42Å; V557-K561 PolarHBondContact O-N 3.05Å; L558-K561 WeakPolarHBondContact O-CB 3.48Å; L558-K561 PolarHBondContact O-N 3.36Å; L559-K561 VanDerWaalsContact C-N 3.28Å; L559-K561 PolarHBondContact O-N 3.22Å; K561-R565 WeakPolarHBondContact O-CG 3.32Å; K561-R565 PolarHBondContact O-N 3.4Å |
| 562 | A | 84.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -47 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D525 I529 L558 L559 L560 R564 R565 L566 | D525-A562 HydrophobicContact CB-CB 4.2Å; D525-A562 VanDerWaalsContact OD1-CB 3.29Å; D525-A562 WeakPolarHBondContact OD1-CB 3.35Å; I529-A562 HydrophobicContact CD1-CB 3.99Å; I529-A562 HydrophobicContact CG1-CB 4.42Å; L558-A562 PolarHBondContact O-N 3.37Å; L559-A562 WeakPolarHBondContact O-CB 3.49Å; L559-A562 PolarHBondContact O-N 3.45Å; L559-A562 VanDerWaalsContact O-N 3.13Å; L560-A562 VanDerWaalsContact C-N 3.33Å; L560-A562 PolarHBondContact O-N 3.32Å; A562-R564 VanDerWaalsContact C-N 3.29Å; A562-R564 PolarHBondContact O-N 3.13Å; A562-R565 PolarHBondContact O-N 2.74Å; A562-R565 VanDerWaalsContact O-N 3.13Å; A562-L566 PolarHBondContact O-N 2.86Å |
| 563 | C | 87.5 | Confident | 74 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 176.6 | -63 | 0 | 0 | 0 | 0 | 110.9 | I529 L559 L560 R565 L566 L567 A644 M648 | I529-C563 HydrophobicContact CD1-CB 4.34Å; L559-C563 PolarHBondContact O-N 2.92Å; L559-C563 PolarHBondContact O-SG 3.04Å; L560-C563 PolarHBondContact O-N 3.41Å; C563-R565 PolarHBondContact O-N 3.11Å; C563-L566 PolarHBondContact O-N 3.36Å; C563-L567 WeakPolarHBondContact O-CB 3.46Å; C563-L567 PolarHBondContact O-N 2.95Å; C563-A644 HydrophobicContact CB-CB 4.36Å; C563-A644 WeakPolarHBondContact O-CB 3.44Å; C563-M648 HydrophobicContact CB-CG 3.57Å; C563-M648 HydrophobicContact CB-SD 3.92Å |
| 564 | R | 88.6 | Confident | 73.5 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 175.3 | -175.3 | -164.9 | -174.3 | -61 | -8.8 | 112.2 | L560 A562 L568 K570 D664 E666 L667 | L560-R564 WeakPolarHBondContact O-CB 3.35Å; L560-R564 PolarHBondContact O-N 2.99Å; A562-R564 VanDerWaalsContact C-N 3.29Å; A562-R564 PolarHBondContact O-N 3.13Å; R564-L568 HydrophobicContact CG-CD1 3.88Å; R564-L568 VanDerWaalsContact CZ-CD1 3.45Å; R564-L568 WeakPolarHBondContact O-CB 3.41Å; R564-L568 WeakPolarHBondContact O-CG 3.4Å; R564-L568 PolarHBondContact O-N 3.23Å; R564-K570 VanDerWaalsContact NH1-NZ 3.2Å; R564-D664 WeakPolarHBondContact CD-OD2 3.38Å; R564-D664 IonicContact CZ-OD2 3.2Å; R564-D664 IonicContact NE-OD2 2.7Å; R564-D664 PolarHBondContact NE-OD2 3.17Å; R564-D664 IonicContact NH2-OD1 3.04Å; R564-D664 IonicContact NH2-OD2 3.28Å; R564-E666 IonicContact CZ-OE2 2.76Å; R564-E666 IonicContact NH2-OE2 3.76Å; R564-E666 PolarHBondContact NH2-OE2 3.38Å; R564-L667 HydrophobicContact CB-CD1 4.3Å; R564-L667 HydrophobicContact CG-CD1 4.23Å |
| 565 | R | 87.3 | Confident | 72.5 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.7 | -46 | 178.7 | -75.8 | -173.6 | -60.3 | -92.7 | 0.9 | 111.7 | D525 K561 A562 C563 G569 K570 | D525-R565 VanDerWaalsContact CG-NH2 3.29Å; D525-R565 IonicContact OD1-CZ 2.64Å; D525-R565 IonicContact OD1-NE 3.93Å; D525-R565 IonicContact OD1-NH2 3.86Å; D525-R565 PolarHBondContact OD1-NH2 3.11Å; D525-R565 IonicContact OD2-CZ 3.93Å; D525-R565 VanDerWaalsContact OD2-CZ 3.28Å; D525-R565 IonicContact OD2-NE 2.86Å; D525-R565 PolarHBondContact OD2-NE 3.01Å; D525-R565 IonicContact OD2-NH2 3.25Å; D525-R565 PolarHBondContact OD2-NH2 3.09Å; K561-R565 WeakPolarHBondContact O-CG 3.32Å; K561-R565 PolarHBondContact O-N 3.4Å; A562-R565 PolarHBondContact O-N 2.74Å; A562-R565 VanDerWaalsContact O-N 3.13Å; C563-R565 PolarHBondContact O-N 3.11Å; R565-G569 PolarHBondContact O-N 3.23Å; R565-G569 VanDerWaalsContact O-N 3.16Å; R565-K570 HydrophobicContact CB-CB 4.34Å; R565-K570 HydrophobicContact CG-CB 4.35Å; R565-K570 PolarHBondContact O-N 3.03Å |
| 566 | L | 83 | Confident | 70.8 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 177 | -72.3 | -168.6 | 0 | 0 | 0 | 112.3 | D525 I529 A562 C563 L568 G569 A644 | D525-L566 HydrophobicContact CB-CD1 4.3Å; D525-L566 HydrophobicContact CB-CD2 3.88Å; D525-L566 HydrophobicContact CB-CG 3.88Å; I529-L566 HydrophobicContact CD1-CD1 3.49Å; I529-L566 VanDerWaalsContact CD1-CD1 3.49Å; I529-L566 HydrophobicContact CD1-CG 4.17Å; A562-L566 PolarHBondContact O-N 2.86Å; C563-L566 PolarHBondContact O-N 3.36Å; L566-L568 VanDerWaalsContact C-N 3.33Å; L566-L568 PolarHBondContact O-N 2.87Å; L566-G569 PolarHBondContact O-N 3.18Å; L566-A644 HydrophobicContact CB-CB 3.87Å |
| 567 | L | 85 | Confident | 68.8 | Low | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.2 | -35.1 | -176.9 | -173.2 | 63.7 | 0 | 0 | 0 | 112.6 | C563 G569 F635 A641 A644 V645 L667 A670 L671 | C563-L567 WeakPolarHBondContact O-CB 3.46Å; C563-L567 PolarHBondContact O-N 2.95Å; L567-G569 VanDerWaalsContact C-N 3.35Å; L567-F635 HydrophobicContact CD1-CD1 4.35Å; L567-F635 HydrophobicContact CD1-CE1 3.73Å; L567-F635 HydrophobicContact CG-CE1 4.23Å; L567-F635 WeakPolarHBondContact O-CD1 3.31Å; L567-F635 WeakPolarHBondContact O-CE1 3.03Å; L567-A641 HydrophobicContact CD1-CB 3.81Å; L567-A644 HydrophobicContact CB-CB 4.06Å; L567-V645 HydrophobicContact CD1-CG2 4.16Å; L567-L667 HydrophobicContact CD2-CD1 3.86Å; L567-A670 HydrophobicContact CD2-CB 3.93Å; L567-A670 HydrophobicContact CG-CB 4.11Å; L567-L671 HydrophobicContact CD2-CD2 3.66Å; L567-L671 HydrophobicContact CD2-CG 3.92Å |
| 568 | L | 83.8 | Confident | 66.5 | Low | 44 Ų | 44 | 74.5 Ų | 74.5 | 23% | 0.23 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6.3 | 178.9 | -66.8 | 172 | 0 | 0 | 0 | 113.6 | R564 L566 K570 A670 | R564-L568 HydrophobicContact CG-CD1 3.88Å; R564-L568 VanDerWaalsContact CZ-CD1 3.45Å; R564-L568 WeakPolarHBondContact O-CB 3.41Å; R564-L568 WeakPolarHBondContact O-CG 3.4Å; R564-L568 PolarHBondContact O-N 3.23Å; L566-L568 VanDerWaalsContact C-N 3.33Å; L566-L568 PolarHBondContact O-N 2.87Å; L568-K570 PolarHBondContact O-N 3.42Å; L568-A670 HydrophobicContact CD2-CB 3.57Å; L568-A670 HydrophobicContact CG-CB 4.46Å |
| 569 | G | 72.7 | Confident | 64.2 | Low | 33 Ų | 33 | 75.8 Ų | 75.8 | 34% | 0.34 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 21.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R565 L566 L567 R571 | R565-G569 PolarHBondContact O-N 3.23Å; R565-G569 VanDerWaalsContact O-N 3.16Å; L566-G569 PolarHBondContact O-N 3.18Å; L567-G569 VanDerWaalsContact C-N 3.35Å; G569-R571 PolarHBondContact O-N 3.48Å |
| 570 | K | 69.3 | Low | 61.6 | Low | 117 Ų | 117 | 81.3 Ų | 81.3 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | trans | -71.8 | 93.2 | 174.7 | -69.6 | -173.4 | 177.6 | -178.9 | 0 | 108.5 | R564 R565 L568 Q572 | R564-K570 VanDerWaalsContact NH1-NZ 3.2Å; R565-K570 HydrophobicContact CB-CB 4.34Å; R565-K570 HydrophobicContact CG-CB 4.35Å; R565-K570 PolarHBondContact O-N 3.03Å; L568-K570 PolarHBondContact O-N 3.42Å; K570-Q572 PolarHBondContact O-N 2.9Å | ||
| 571 | R | 54.5 | Low | 58.9 | Low | 201 Ų | 201 | 85.6 Ų | 85.6 | 76% | 0.758 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 133 | 177.5 | -73.9 | -169.2 | -177.8 | -160.4 | 2.7 | 110.7 | G569 D574 | G569-R571 PolarHBondContact O-N 3.48Å; R571-D574 IonicContact NH1-OD2 3.28Å |
| 572 | Q | 55 | Low | 56.3 | Low | 68 Ų | 68 | 85.8 Ų | 85.8 | 32% | 0.318 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 148.2 | 157.1 | -62.8 | -177.1 | -81.5 | 0 | 0 | 107.5 | E523 K570 D574 | E523-Q572 PolarHBondContact O-NE2 3.07Å; K570-Q572 PolarHBondContact O-N 2.9Å; Q572-D574 PolarHBondContact O-N 3.15Å |
| 573 | P | 41.4 | Very low | 53.5 | Low | 122 Ų | 122 | 92.1 Ų | 92.1 | 79% | 0.792 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 118.7 | 166.6 | 22.7 | -29.9 | 0 | 0 | 0 | 107.5 | P575 | P573-P575 WeakPolarHBondContact O-CD 3.35Š|
| 574 | D | 38.9 | Very low | 50.6 | Low | 90 Ų | 90 | 101.4 Ų | 101.4 | 48% | 0.481 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 125.4 | 170 | -75.2 | -51.5 | 0 | 0 | 0 | 106.4 | K485 R571 Q572 D576 | K485-D574 IonicContact NZ-OD1 2.74Å; R571-D574 IonicContact NH1-OD2 3.28Å; Q572-D574 PolarHBondContact O-N 3.15Å; D574-D576 PolarHBondContact O-N 2.85Å |
| 575 | P | 33.1 | Very low | 47.9 | Very low | 88 Ų | 88 | 103.7 Ų | 103.7 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 130.8 | 155.2 | 22.8 | -32.2 | 0 | 0 | 0 | 106.7 | P573 V577 | P573-P575 WeakPolarHBondContact O-CD 3.35Å; P575-V577 WeakPolarHBondContact O-CG2 3.49Å; P575-V577 PolarHBondContact O-N 3.5Å |
| 576 | D | 33 | Very low | 45.2 | Very low | 169 Ų | 169 | 104.2 Ų | 104.2 | 90% | 0.904 | 59% | 0.594 | S | S | * | * | trans | -41.2 | 108.5 | -172.5 | -66 | -48.9 | 0 | 0 | 0 | 111.5 | D574 | D574-D576 PolarHBondContact O-N 2.85Š| ||
| 577 | V | 35.8 | Very low | 42.7 | Very low | 104 Ų | 104 | 107.1 Ų | 107.1 | 63% | 0.63 | 61% | 0.609 | S | S | * | * | trans | -110.8 | 61.1 | 174.6 | -166.4 | 0 | 0 | 0 | 0 | 108.5 | P575 | P575-V577 WeakPolarHBondContact O-CG2 3.49Å; P575-V577 PolarHBondContact O-N 3.5Å | ||
| 578 | D | 28.6 | Very low | 40.5 | Very low | 151 Ų | 151 | 109.6 Ų | 109.6 | 81% | 0.807 | 62% | 0.624 | S | S | * | * | trans | -108.6 | 135 | 154.1 | -77.7 | -34.4 | 0 | 0 | 0 | 106.3 | ||||
| 579 | D | 30.8 | Very low | 38.2 | Very low | 145 Ų | 145 | 113.1 Ų | 113.1 | 78% | 0.775 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 91.1 | 43.7 | 173.3 | -55.2 | -22.6 | 0 | 0 | 0 | 120.5 | ||
| 580 | I | 28.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 113.7 Ų | 113.7 | 61% | 0.605 | 63% | 0.632 | S | S | * | * | trans | -136.6 | 55.3 | 153 | -42.5 | 174.3 | 0 | 0 | 0 | 111.1 | ||||
| 581 | A | 29.8 | Very low | 34.8 | Very low | 97 Ų | 97 | 111 Ų | 111 | 80% | 0.802 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -101.3 | 115.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 582 | A | 31.5 | Very low | 34 | Very low | 101 Ų | 101 | 107.6 Ų | 107.6 | 84% | 0.835 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 76.9 | 29.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 583 | N | 24.8 | Very low | 33 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | trans | -90.2 | 138.2 | 162.5 | -86.4 | -22.1 | 0 | 0 | 0 | 111.9 | ||||
| 584 | K | 28.2 | Very low | 32.6 | Very low | 195 Ų | 195 | 108 Ų | 108 | 85% | 0.848 | 63% | 0.631 | S | S | * | * | trans | -52.7 | 144.9 | -165.8 | -67.7 | 166.9 | 175.7 | 175.5 | 0 | 112.6 | A586 | K584-A586 PolarHBondContact O-N 3.36Š| ||
| 585 | S | 31 | Very low | 32.3 | Very low | 89 Ų | 89 | 108.3 Ų | 108.3 | 62% | 0.622 | 63% | 0.629 | S | S | * | * | trans | -31.9 | 121.3 | 166.7 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | D587 | S585-D587 PolarHBondContact O-N 2.92Š| ||
| 586 | A | 30.4 | Very low | 32.4 | Very low | 91 Ų | 91 | 106.3 Ų | 106.3 | 75% | 0.752 | 62% | 0.615 | S | S | * | * | trans | -61.3 | 121.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | K584 V588 | K584-A586 PolarHBondContact O-N 3.36Å; A586-V588 PolarHBondContact O-N 3.47Å | ||
| 587 | D | 30.4 | Very low | 32.4 | Very low | 91 Ų | 91 | 102.1 Ų | 102.1 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | trans | -64.4 | 92.5 | -171.5 | -68.5 | -40.1 | 0 | 0 | 0 | 110.5 | S585 H589 | S585-D587 PolarHBondContact O-N 2.92Å; D587-H589 IonicContact OD1-NE2 2.66Å | ||
| 588 | V | 39 | Very low | 32.4 | Very low | 55 Ų | 55 | 101.7 Ų | 101.7 | 33% | 0.333 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.7 | 100.6 | 166.6 | -179.6 | 0 | 0 | 0 | 0 | 106.3 | A586 F590 V596 | A586-V588 PolarHBondContact O-N 3.47Å; V588-F590 HydrophobicContact CG1-CE2 4.26Å; V588-V596 HydrophobicContact CG1-CG1 3.99Å |
| 589 | H | 35.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 99.8 Ų | 99.8 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.8 | 178.9 | -67.7 | -57.6 | 0 | 0 | 0 | 110.4 | D587 V597 | D587-H589 IonicContact OD1-NE2 2.66Å; H589-V597 PolarHBondContact O-N 3.38Å |
| 590 | F | 35.3 | Very low | 32.1 | Very low | 45 Ų | 45 | 101.2 Ų | 101.2 | 20% | 0.197 | 59% | 0.585 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.3 | 165.5 | -69.6 | -100.5 | 0 | 0 | 0 | 107.4 | K445 V588 E595 V596 | K445-F590 HydrophobicContact CD-CE2 4.4Å; V588-F590 HydrophobicContact CG1-CE2 4.26Å; F590-E595 VanDerWaalsContact CA-O 3.29Å; F590-E595 WeakPolarHBondContact CA-O 3.36Å; F590-V596 HydrophobicContact CD1-CG2 4.04Å; F590-V596 HydrophobicContact CE1-CG2 3.35Å; F590-V596 HydrophobicContact CZ-CG2 3.7Å |
| 591 | N | 36.7 | Very low | 32.1 | Very low | 61 Ų | 61 | 102.3 Ų | 102.3 | 33% | 0.326 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 173.2 | 172.1 | 69.2 | 12 | 0 | 0 | 0 | 110.7 | E593 G594 E595 | N591-E593 PolarHBondContact O-N 2.99Å; N591-E593 WeakPolarHBondContact OD1-CA 3.32Å; N591-E593 PolarHBondContact OD1-N 3.21Å; N591-G594 PolarHBondContact O-N 3.25Å; N591-G594 PolarHBondContact OD1-N 3.31Å; N591-E595 PolarHBondContact N-O 3.45Å; N591-E595 PolarHBondContact ND2-OE2 2.99Å; N591-E595 PolarHBondContact OD1-N 3.03Å |
| 592 | S | 36.6 | Very low | 31.9 | Very low | 130 Ų | 130 | 105 Ų | 105 | 91% | 0.909 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -7.5 | 178.4 | 46.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 593 | E | 34.4 | Very low | 31.7 | Very low | 164 Ų | 164 | 107.1 Ų | 107.1 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 0.8 | 177.4 | -61.1 | -172.3 | 170.4 | 0 | 0 | 112.9 | N591 | N591-E593 PolarHBondContact O-N 2.99Å; N591-E593 WeakPolarHBondContact OD1-CA 3.32Å; N591-E593 PolarHBondContact OD1-N 3.21Å |
| 594 | G | 32 | Very low | 31.6 | Very low | 33 Ų | 33 | 109.8 Ų | 109.8 | 34% | 0.34 | 60% | 0.599 | S | S | . | * | trans | 88.4 | 14.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N591 | N591-G594 PolarHBondContact O-N 3.25Å; N591-G594 PolarHBondContact OD1-N 3.31Å | ||
| 595 | E | 32.9 | Very low | 31.5 | Very low | 97 Ų | 97 | 108 Ų | 108 | 45% | 0.453 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 140.1 | 177.1 | -58 | 177.7 | 148.6 | 0 | 0 | 112 | F590 N591 | F590-E595 VanDerWaalsContact CA-O 3.29Å; F590-E595 WeakPolarHBondContact CA-O 3.36Å; N591-E595 PolarHBondContact N-O 3.45Å; N591-E595 PolarHBondContact ND2-OE2 2.99Å; N591-E595 PolarHBondContact OD1-N 3.03Å |
| 596 | V | 36.4 | Very low | 30.9 | Very low | 46 Ų | 46 | 111.9 Ų | 111.9 | 28% | 0.279 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.1 | 177.7 | -179 | 0 | 0 | 0 | 0 | 109.8 | L478 V588 F590 V598 | L478-V596 HydrophobicContact CD1-CG1 4.07Å; L478-V596 HydrophobicContact CD1-CG2 4.19Å; V588-V596 HydrophobicContact CG1-CG1 3.99Å; F590-V596 HydrophobicContact CD1-CG2 4.04Å; F590-V596 HydrophobicContact CE1-CG2 3.35Å; F590-V596 HydrophobicContact CZ-CG2 3.7Å; V596-V598 HydrophobicContact CG1-CG2 3.84Å |
| 597 | V | 32.8 | Very low | 30.6 | Very low | 82 Ų | 82 | 115.3 Ų | 115.3 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.9 | 165.4 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | H589 | H589-V597 PolarHBondContact O-N 3.38Å |
| 598 | V | 34.7 | Very low | 30.2 | Very low | 94 Ų | 94 | 119.4 Ų | 119.4 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 117.9 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 107 | V596 E600 | V596-V598 HydrophobicContact CG1-CG2 3.84Å; V598-E600 PolarHBondContact O-N 3.16Å |
| 599 | D | 29.4 | Very low | 29.3 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 60% | 0.599 | 65% | 0.651 | S | S | * | * | trans | -71.4 | 112.5 | 171.6 | -88.6 | -21.7 | 0 | 0 | 0 | 109.1 | N601 | D599-N601 PolarHBondContact O-N 3.11Š| ||
| 600 | E | 25.4 | Very low | 28.9 | Very low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -68.9 | 92.4 | 169.4 | -67.6 | -179.9 | 168.3 | 0 | 0 | 108.9 | V598 | V598-E600 PolarHBondContact O-N 3.16Š| ||
| 601 | N | 28.1 | Very low | 28.4 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | -109.1 | 101.3 | 159.7 | -75.2 | -41.5 | 0 | 0 | 0 | 108.5 | D599 D603 | D599-N601 PolarHBondContact O-N 3.11Å; N601-D603 PolarHBondContact O-N 3.31Å; N601-D603 VanDerWaalsContact O-N 3.13Å | ||
| 602 | D | 24.6 | Very low | 27.8 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -58.8 | 100.7 | 168.9 | -71.9 | -41.1 | 0 | 0 | 0 | 110 | ||||
| 603 | D | 26.5 | Very low | 27.2 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | trans | -125.7 | 103.1 | 157.5 | -82.6 | -40.6 | 0 | 0 | 0 | 108.6 | N601 I605 | N601-D603 PolarHBondContact O-N 3.31Å; N601-D603 VanDerWaalsContact O-N 3.13Å; D603-I605 PolarHBondContact O-N 3.33Å | ||
| 604 | E | 22.9 | Very low | 26.6 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | trans | -55.8 | 102.8 | 170.8 | -73.5 | -179.3 | 147.7 | 0 | 0 | 110.2 | Q606 | E604-Q606 PolarHBondContact O-N 3.48Š| ||
| 605 | I | 26.3 | Very low | 26.2 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -77.4 | 106.6 | 172 | -60.4 | 175.4 | 0 | 0 | 0 | 108.6 | D603 I607 | D603-I605 PolarHBondContact O-N 3.33Å; I605-I607 PolarHBondContact O-N 2.84Å | ||
| 606 | Q | 19.4 | Very low | 26 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -64.1 | 124.5 | 170.8 | -71.7 | 179.6 | 7.8 | 0 | 0 | 110.6 | E604 E608 | E604-Q606 PolarHBondContact O-N 3.48Å; Q606-E608 PolarHBondContact O-N 3.2Å | ||
| 607 | I | 22.9 | Very low | 25.3 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -81.7 | 104 | 177.7 | -59.3 | 169 | 0 | 0 | 0 | 107.8 | I605 | I605-I607 PolarHBondContact O-N 2.84Š| ||
| 608 | E | 22 | Very low | 24.9 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -79.4 | 123.6 | 165.9 | -77.2 | -167.7 | 157.8 | 0 | 0 | 110.3 | Q606 V610 | Q606-E608 PolarHBondContact O-N 3.2Å; E608-V610 PolarHBondContact O-N 3.3Å; E608-V610 VanDerWaalsContact O-N 3.14Å | ||
| 609 | E | 20.5 | Very low | 24.4 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -66.3 | 101.8 | 175.6 | -71.8 | -177.6 | 149.3 | 0 | 0 | 111.2 | S611 | E609-S611 PolarHBondContact O-N 3.5Š| ||
| 610 | V | 26.4 | Very low | 24.1 | Very low | 143 Ų | 143 | 156.6 Ų | 156.6 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 116.9 | 171.3 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | E608 | E608-V610 PolarHBondContact O-N 3.3Å; E608-V610 VanDerWaalsContact O-N 3.14Å |
| 611 | S | 24.7 | Very low | 24.1 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 146 | -175.8 | -29.3 | 0 | 0 | 0 | 0 | 112.8 | E609 | E609-S611 PolarHBondContact O-N 3.5Š|
| 612 | A | 25.2 | Very low | 23.9 | Very low | 91 Ų | 91 | 156.8 Ų | 156.8 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 130.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 613 | S | 23.8 | Very low | 23.9 | Very low | 109 Ų | 109 | 158.4 Ų | 158.4 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | 46.1 | 112.3 | 137.1 | 61.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 614 | Q | 22.5 | Very low | 23.8 | Very low | 187 Ų | 187 | 157.1 Ų | 157.1 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -114.6 | 137.3 | 139 | -75.7 | -159.4 | -11.9 | 0 | 0 | 110.4 | ||||
| 615 | P | 23.8 | Very low | 24 | Very low | 122 Ų | 122 | 155 Ų | 155 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 128.4 | -167.1 | 33.6 | -33.5 | 0 | 0 | 0 | 111.7 | E617 | P615-E617 PolarHBondContact O-N 3.01Š|
| 616 | V | 27.9 | Very low | 23.8 | Very low | 145 Ų | 145 | 154.8 Ų | 154.8 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 125.5 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 617 | E | 22.6 | Very low | 24 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 130.8 | -173.7 | -67.1 | -179.9 | 143.6 | 0 | 0 | 113.7 | P615 K619 | P615-E617 PolarHBondContact O-N 3.01Å; E617-K619 PolarHBondContact O-N 3.46Å; E617-K619 VanDerWaalsContact O-N 3.11Å |
| 618 | N | 22.6 | Very low | 24.2 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -58.6 | 105.3 | 170.8 | -76.8 | -45.4 | 0 | 0 | 0 | 111.8 | K620 | N618-K620 PolarHBondContact O-N 3.39Å; N618-K620 VanDerWaalsContact O-N 3.12Å | ||
| 619 | K | 25.3 | Very low | 24.4 | Very low | 207 Ų | 207 | 145.2 Ų | 145.2 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | -73.9 | 99 | 157.2 | -79 | -173.9 | 178.4 | 176.5 | 0 | 109.2 | E617 D621 | E617-K619 PolarHBondContact O-N 3.46Å; E617-K619 VanDerWaalsContact O-N 3.11Å; K619-D621 PolarHBondContact O-N 3.13Å | ||
| 620 | K | 22.1 | Very low | 25 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -65.1 | 106.6 | 168.9 | -69.7 | 174.5 | 176 | 174.3 | 0 | 109.9 | N618 | N618-K620 PolarHBondContact O-N 3.39Å; N618-K620 VanDerWaalsContact O-N 3.12Å | ||
| 621 | D | 26.8 | Very low | 25.6 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -120.3 | 71.6 | 152.2 | -86.2 | -43.4 | 0 | 0 | 0 | 109.1 | K619 | K619-D621 PolarHBondContact O-N 3.13Š| ||
| 622 | N | 23.7 | Very low | 26.8 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -86.1 | 101.5 | 161.1 | -91.1 | -10.1 | 0 | 0 | 0 | 108.1 | ||||
| 623 | K | 24.6 | Very low | 28.6 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -128.9 | 127.5 | 150.2 | -83.6 | -173 | 178.7 | 175.2 | 0 | 109.6 | V625 | K623-V625 PolarHBondContact O-N 3.04Š| ||
| 624 | P | 24.1 | Very low | 30.4 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -78.8 | 123.6 | -173.1 | 32.2 | -31.4 | 0 | 0 | 0 | 109.5 | N626 | P624-N626 PolarHBondContact O-N 3.3Š| ||
| 625 | V | 27.1 | Very low | 32.6 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | -82.8 | 103.1 | 170.9 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | K623 | K623-V625 PolarHBondContact O-N 3.04Š| ||
| 626 | N | 21.6 | Very low | 34.4 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | -63.4 | 139.7 | 165.1 | -75.9 | -25.3 | 0 | 0 | 0 | 110.4 | P624 | P624-N626 PolarHBondContact O-N 3.3Š| ||
| 627 | G | 23.4 | Very low | 36.4 | Very low | 63 Ų | 63 | 128.1 Ų | 128.1 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 110.5 | 120.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T629 | G627-T629 PolarHBondContact O-N 3.23Š|
| 628 | S | 28.2 | Very low | 38.8 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | trans | -36.6 | 104.7 | 170.9 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 629 | T | 26.4 | Very low | 41.2 | Very low | 124 Ų | 124 | 117 Ų | 117 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | trans | -146.5 | 129 | 148.7 | 27.1 | 0 | 0 | 0 | 0 | 104.4 | G627 S631 | G627-T629 PolarHBondContact O-N 3.23Å; T629-S631 PolarHBondContact O-N 2.85Å | ||
| 630 | T | 32.5 | Very low | 43.6 | Very low | 134 Ų | 134 | 108.3 Ų | 108.3 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | trans | -52.4 | 96.2 | 167.1 | 14.5 | 0 | 0 | 0 | 0 | 106.8 | T632 | T630-T632 PolarHBondContact O-N 3.44Š| ||
| 631 | S | 38.2 | Very low | 46.5 | Very low | 91 Ų | 91 | 99.7 Ų | 99.7 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | trans | -56.3 | 108.1 | 168.8 | 40.2 | 0 | 0 | 0 | 0 | 105.1 | T629 I633 | T629-S631 PolarHBondContact O-N 2.85Å; S631-I633 VanDerWaalsContact C-N 3.28Å; S631-I633 PolarHBondContact O-N 3.46Å | ||
| 632 | T | 50 | Low | 49.2 | Very low | 92 Ų | 92 | 93.2 Ų | 93.2 | 56% | 0.564 | 54% | 0.54 | S | S | * | . | trans | -63.2 | 99.4 | 175.8 | -47.7 | 0 | 0 | 0 | 0 | 105.9 | T630 H634 | T630-T632 PolarHBondContact O-N 3.44Å; T632-H634 PolarHBondContact O-N 2.86Å | ||
| 633 | I | 62.7 | Low | 52.1 | Low | 36 Ų | 36 | 86.2 Ų | 86.2 | 19% | 0.185 | 50% | 0.501 | C | S | . | . | trans | -63.4 | 110.6 | 176.7 | -64.6 | 170.9 | 0 | 0 | 0 | 105.4 | S631 F635 A670 | S631-I633 VanDerWaalsContact C-N 3.28Å; S631-I633 PolarHBondContact O-N 3.46Å; I633-F635 HydrophobicContact CG2-CE1 4.19Å; I633-F635 HydrophobicContact CG2-CZ 4.15Å; I633-A670 HydrophobicContact CD1-CB 3.96Å | ||
| 634 | H | 62.3 | Low | 55.1 | Low | 150 Ų | 150 | 77.2 Ų | 77.2 | 69% | 0.694 | 46% | 0.462 | S | S | * | . | trans | -85.9 | 124 | 172.9 | -88.5 | -74.1 | 0 | 0 | 0 | 108.5 | T632 | T632-H634 PolarHBondContact O-N 2.86Š| ||
| 635 | F | 69.7 | Low | 58.2 | Low | 30 Ų | 30 | 71.7 Ų | 71.7 | 13% | 0.132 | 43% | 0.426 | C | S | . | . | trans | -85.4 | 116.5 | 173.4 | -59.8 | -79.4 | 0 | 0 | 0 | 109 | L567 I633 D637 L638 A641 A670 F674 H677 | L567-F635 HydrophobicContact CD1-CD1 4.35Å; L567-F635 HydrophobicContact CD1-CE1 3.73Å; L567-F635 HydrophobicContact CG-CE1 4.23Å; L567-F635 WeakPolarHBondContact O-CD1 3.31Å; L567-F635 WeakPolarHBondContact O-CE1 3.03Å; I633-F635 HydrophobicContact CG2-CE1 4.19Å; I633-F635 HydrophobicContact CG2-CZ 4.15Å; F635-D637 VanDerWaalsContact C-N 3.32Å; F635-L638 HydrophobicContact CB-CD2 4.23Å; F635-A641 HydrophobicContact CD1-CB 4.08Å; F635-A670 WeakPolarHBondContact CZ-O 3.48Å; F635-F674 HydrophobicContact CD1-CD2 4.47Å; F635-F674 HydrophobicContact CD2-CD2 4.4Å; F635-F674 HydrophobicContact CE1-CB 4.36Å; F635-F674 HydrophobicContact CE1-CD2 4.2Å; F635-F674 HydrophobicContact CE2-CB 4.16Å; F635-F674 HydrophobicContact CE2-CD2 4.13Å; F635-F674 HydrophobicContact CZ-CB 3.71Å; F635-F674 HydrophobicContact CZ-CD2 4.03Å; F635-F674 HydrophobicContact CZ-CG 4.37Å; F635-H677 HydrophobicContact CD2-CB 4.36Å | ||
| 636 | D | 61.4 | Low | 61 | Low | 134 Ų | 134 | 65.9 Ų | 65.9 | 72% | 0.717 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -69.2 | -30.4 | 178.1 | -71.8 | -25.7 | 0 | 0 | 0 | 112.5 | ||
| 637 | D | 69.3 | Low | 64 | Low | 68 Ų | 68 | 58.6 Ų | 58.6 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | trans | -141.2 | 112.2 | 176.3 | 178 | 14.8 | 0 | 0 | 0 | 110.9 | F635 D639 S640 A641 | F635-D637 VanDerWaalsContact C-N 3.32Å; D637-D639 VanDerWaalsContact C-N 3.33Å; D637-D639 PolarHBondContact OD1-N 2.83Å; D637-S640 WeakPolarHBondContact OD2-CB 3.46Å; D637-S640 PolarHBondContact OD2-N 2.93Å; D637-S640 PolarHBondContact OD2-OG 2.74Å; D637-A641 PolarHBondContact O-N 2.92Å | ||
| 638 | L | 73.4 | Confident | 67.2 | Low | 60 Ų | 60 | 55.6 Ų | 55.6 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.3 | -28.4 | -179.7 | -73 | 165 | 0 | 0 | 0 | 112.6 | F635 A641 H642 F674 H677 | F635-L638 HydrophobicContact CB-CD2 4.23Å; L638-A641 PolarHBondContact O-N 3Å; L638-H642 PolarHBondContact O-N 3.28Å; L638-F674 HydrophobicContact CD2-CE2 4.33Å; L638-H677 HydrophobicContact CD2-CB 3.81Å |
| 639 | D | 72.7 | Confident | 70 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75 | -43.4 | -178.6 | -64 | -22.3 | 0 | 0 | 0 | 109.8 | S360 D637 A641 H642 W643 Q679 | S360-D639 PolarHBondContact OG-OD2 3.19Å; D637-D639 VanDerWaalsContact C-N 3.33Å; D637-D639 PolarHBondContact OD1-N 2.83Å; D639-A641 VanDerWaalsContact C-N 3.29Å; D639-A641 PolarHBondContact O-N 2.91Å; D639-H642 WeakPolarHBondContact O-CB 3.38Å; D639-H642 PolarHBondContact O-N 3.37Å; D639-W643 PolarHBondContact O-N 3.16Å; D639-Q679 PolarHBondContact OD1-NE2 2.93Å |
| 640 | S | 76.1 | Confident | 72.8 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 171.2 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | D637 W643 A644 | D637-S640 WeakPolarHBondContact OD2-CB 3.46Å; D637-S640 PolarHBondContact OD2-N 2.93Å; D637-S640 PolarHBondContact OD2-OG 2.74Å; S640-W643 PolarHBondContact O-N 3.47Å; S640-A644 WeakPolarHBondContact O-CB 3.47Å; S640-A644 PolarHBondContact O-N 3.01Å |
| 641 | A | 82.7 | Confident | 75.2 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L567 F635 D637 L638 D639 W643 A644 V645 F674 | L567-A641 HydrophobicContact CD1-CB 3.81Å; F635-A641 HydrophobicContact CD1-CB 4.08Å; D637-A641 PolarHBondContact O-N 2.92Å; L638-A641 PolarHBondContact O-N 3Å; D639-A641 VanDerWaalsContact C-N 3.29Å; D639-A641 PolarHBondContact O-N 2.91Å; A641-W643 PolarHBondContact O-N 2.98Å; A641-A644 PolarHBondContact O-N 3.35Å; A641-V645 WeakPolarHBondContact O-CG2 3.44Å; A641-V645 PolarHBondContact O-N 3.07Å; A641-F674 HydrophobicContact CB-CD2 3.94Å; A641-F674 HydrophobicContact CB-CE2 3.52Å; A641-F674 HydrophobicContact CB-CZ 4.25Å |
| 642 | H | 83.8 | Confident | 77.7 | Confident | 24 Ų | 24 | 37.3 Ų | 37.3 | 11% | 0.111 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.8 | -51.1 | 173.9 | 167 | 39.6 | 0 | 0 | 0 | 111.4 | L638 D639 A644 V645 E646 S682 | L638-H642 PolarHBondContact O-N 3.28Å; D639-H642 WeakPolarHBondContact O-CB 3.38Å; D639-H642 PolarHBondContact O-N 3.37Å; H642-A644 VanDerWaalsContact C-N 3.33Å; H642-A644 PolarHBondContact O-N 3.12Å; H642-V645 PolarHBondContact O-N 3.47Å; H642-V645 VanDerWaalsContact O-N 3.16Å; H642-E646 IonicContact CE1-OE2 2.68Å; H642-E646 WeakPolarHBondContact O-CB 3.4Å; H642-E646 PolarHBondContact O-N 3.15Å; H642-S682 WeakPolarHBondContact ND1-CA 3.44Å; H642-S682 WeakPolarHBondContact ND1-CB 3.37Å |
| 643 | W | 83.5 | Confident | 79.2 | Confident | 13 Ų | 13 | 39 Ų | 39 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -36.1 | -179.5 | -77 | 107.4 | 0 | 0 | 0 | 112.8 | D493 V496 I529 R530 V533 D639 S640 A641 V645 E646 G647 | D493-W643 HydrophobicContact CB-CZ2 4.03Å; D493-W643 VanDerWaalsContact CG-CZ2 3.46Å; D493-W643 WeakPolarHBondContact OD1-CZ2 3.49Å; D493-W643 PolarHBondContact OD1-NE1 3.09Å; D493-W643 PolarHBondContact OD2-NE1 3.42Å; V496-W643 HydrophobicContact CB-CH2 3.8Å; V496-W643 HydrophobicContact CB-CZ3 4.33Å; V496-W643 HydrophobicContact CG1-CH2 3.59Å; V496-W643 HydrophobicContact CG1-CZ3 3.79Å; V496-W643 HydrophobicContact CG2-CH2 3.99Å; V496-W643 HydrophobicContact CG2-CZ3 4.24Å; I529-W643 WeakPolarHBondContact CG2-O 3.36Å; R530-W643 HydrophobicContact CG-CD2 3.67Å; R530-W643 HydrophobicContact CG-CE3 3.75Å; R530-W643 HydrophobicContact CG-CG 4.13Å; R530-W643 HydrophobicContact CG-CH2 4.41Å; R530-W643 HydrophobicContact CG-CZ2 4.34Å; R530-W643 HydrophobicContact CG-CZ3 4.12Å; V533-W643 HydrophobicContact CB-CZ3 4.23Å; V533-W643 HydrophobicContact CG1-CZ3 4.06Å; D639-W643 PolarHBondContact O-N 3.16Å; S640-W643 PolarHBondContact O-N 3.47Å; A641-W643 PolarHBondContact O-N 2.98Å; W643-V645 VanDerWaalsContact C-N 3.35Å; W643-E646 HydrophobicContact CE3-CB 4.39Å; W643-E646 HydrophobicContact CE3-CG 4.39Å; W643-E646 HydrophobicContact CZ3-CG 4.38Å; W643-E646 PolarHBondContact O-N 3.29Å; W643-G647 PolarHBondContact O-N 2.78Å |
| 644 | A | 87.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | C563 L566 L567 S640 A641 H642 G647 M648 | C563-A644 HydrophobicContact CB-CB 4.36Å; C563-A644 WeakPolarHBondContact O-CB 3.44Å; L566-A644 HydrophobicContact CB-CB 3.87Å; L567-A644 HydrophobicContact CB-CB 4.06Å; S640-A644 WeakPolarHBondContact O-CB 3.47Å; S640-A644 PolarHBondContact O-N 3.01Å; A641-A644 PolarHBondContact O-N 3.35Å; H642-A644 VanDerWaalsContact C-N 3.33Å; H642-A644 PolarHBondContact O-N 3.12Å; A644-G647 PolarHBondContact O-N 3.44Å; A644-M648 WeakPolarHBondContact O-CB 3.38Å; A644-M648 WeakPolarHBondContact O-CG 3.44Å; A644-M648 PolarHBondContact O-N 2.94Å |
| 645 | V | 90 | Very high | 81.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | L567 A641 H642 W643 M648 A649 L671 F674 A685 L686 V689 | L567-V645 HydrophobicContact CD1-CG2 4.16Å; A641-V645 WeakPolarHBondContact O-CG2 3.44Å; A641-V645 PolarHBondContact O-N 3.07Å; H642-V645 PolarHBondContact O-N 3.47Å; H642-V645 VanDerWaalsContact O-N 3.16Å; W643-V645 VanDerWaalsContact C-N 3.35Å; V645-M648 WeakPolarHBondContact O-CB 3.36Å; V645-M648 PolarHBondContact O-N 3.3Å; V645-A649 PolarHBondContact O-N 3.33Å; V645-L671 HydrophobicContact CG2-CD2 4Å; V645-F674 HydrophobicContact CB-CE1 4.33Å; V645-F674 HydrophobicContact CG2-CD1 3.78Å; V645-F674 HydrophobicContact CG2-CE1 3.88Å; V645-F674 HydrophobicContact CG2-CG 4.46Å; V645-A685 HydrophobicContact CG1-CB 4.08Å; V645-L686 VanDerWaalsContact CG1-CA 3.5Å; V645-L686 HydrophobicContact CG1-CB 3.88Å; V645-L686 HydrophobicContact CG1-CD1 4.15Å; V645-V689 HydrophobicContact CG1-CG2 4.39Å |
| 646 | E | 85.3 | Confident | 82 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 174.3 | -170.6 | 76.4 | -165.3 | 0 | 0 | 111 | V533 K537 H642 W643 M648 A649 Y650 A685 | V533-E646 HydrophobicContact CG1-CG 3.79Å; V533-E646 HydrophobicContact CG2-CB 4.41Å; V533-E646 HydrophobicContact CG2-CG 3.94Å; K537-E646 WeakPolarHBondContact CE-OE1 3.44Å; K537-E646 IonicContact NZ-OE1 3.18Å; K537-E646 PolarHBondContact NZ-OE1 2.68Å; H642-E646 IonicContact CE1-OE2 2.68Å; H642-E646 WeakPolarHBondContact O-CB 3.4Å; H642-E646 PolarHBondContact O-N 3.15Å; W643-E646 HydrophobicContact CE3-CB 4.39Å; W643-E646 HydrophobicContact CE3-CG 4.39Å; W643-E646 HydrophobicContact CZ3-CG 4.38Å; W643-E646 PolarHBondContact O-N 3.29Å; E646-M648 VanDerWaalsContact C-N 3.32Å; E646-M648 PolarHBondContact O-N 3Å; E646-A649 WeakPolarHBondContact O-CB 3.31Å; E646-A649 PolarHBondContact O-N 3.22Å; E646-Y650 VanDerWaalsContact O-CD2 3.32Å; E646-Y650 WeakPolarHBondContact O-CD2 3.48Å; E646-A685 HydrophobicContact CB-CB 4.46Å; E646-A685 WeakPolarHBondContact OE2-CB 3.36Å |
| 647 | G | 85.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W643 A644 A649 Y650 I651 | W643-G647 PolarHBondContact O-N 2.78Å; A644-G647 PolarHBondContact O-N 3.44Å; G647-A649 VanDerWaalsContact C-N 3.3Å; G647-A649 PolarHBondContact O-N 2.93Å; G647-Y650 PolarHBondContact O-N 3.29Å; G647-I651 PolarHBondContact O-N 3.31Å |
| 648 | M | 90.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -36.2 | 175.7 | -73.7 | -179.4 | 75.1 | 0 | 0 | 112.9 | L560 C563 A644 V645 E646 Y650 I651 T652 I661 L667 L671 V689 | L560-M648 HydrophobicContact CD1-CE 3.93Å; C563-M648 HydrophobicContact CB-CG 3.57Å; C563-M648 HydrophobicContact CB-SD 3.92Å; A644-M648 WeakPolarHBondContact O-CB 3.38Å; A644-M648 WeakPolarHBondContact O-CG 3.44Å; A644-M648 PolarHBondContact O-N 2.94Å; V645-M648 WeakPolarHBondContact O-CB 3.36Å; V645-M648 PolarHBondContact O-N 3.3Å; E646-M648 VanDerWaalsContact C-N 3.32Å; E646-M648 PolarHBondContact O-N 3Å; M648-Y650 PolarHBondContact O-N 2.72Å; M648-I651 HydrophobicContact CG-CD1 4.26Å; M648-I651 PolarHBondContact O-N 3.06Å; M648-T652 VanDerWaalsContact O-CB 3.23Å; M648-T652 WeakPolarHBondContact O-CB 3.33Å; M648-T652 WeakPolarHBondContact O-CG2 3.44Å; M648-T652 PolarHBondContact O-N 2.88Å; M648-T652 PolarHBondContact O-OG1 2.65Å; M648-I661 HydrophobicContact CE-CD1 3.61Å; M648-I661 HydrophobicContact CE-CG1 3.95Å; M648-L667 HydrophobicContact CE-CD1 4.28Å; M648-L667 HydrophobicContact CE-CD2 4.09Å; M648-L667 HydrophobicContact CE-CG 4.36Å; M648-L667 HydrophobicContact SD-CD1 4.38Å; M648-L671 HydrophobicContact CE-CD1 3.71Å; M648-L671 HydrophobicContact CE-CD2 4.06Å; M648-L671 HydrophobicContact CE-CG 4.33Å; M648-L671 HydrophobicContact SD-CD2 3.94Å; M648-V689 HydrophobicContact CB-CG2 3.74Å |
| 649 | A | 86.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -33.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V645 E646 G647 T652 A685 V689 H692 | V645-A649 PolarHBondContact O-N 3.33Å; E646-A649 WeakPolarHBondContact O-CB 3.31Å; E646-A649 PolarHBondContact O-N 3.22Å; G647-A649 VanDerWaalsContact C-N 3.3Å; G647-A649 PolarHBondContact O-N 2.93Å; A649-T652 PolarHBondContact O-OG1 3.06Å; A649-A685 HydrophobicContact CB-CB 4.29Å; A649-V689 HydrophobicContact CB-CG2 4.01Å; A649-V689 VanDerWaalsContact N-CG2 3.35Å; A649-H692 PolarHBondContact O-CE1 3.32Å; A649-H692 PolarHBondContact O-ND1 2.82Å |
| 650 | Y | 84.4 | Confident | 85.9 | Confident | 73 Ų | 73 | 24.7 Ų | 24.7 | 29% | 0.286 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -81.7 | -43.7 | 177.1 | -71 | -79.4 | 0 | 0 | 0 | 113.1 | V533 C536 K537 E646 G647 M648 T652 M653 | V533-Y650 HydrophobicContact CG1-CE2 4.02Å; V533-Y650 HydrophobicContact CG2-CD2 4.35Å; C536-Y650 HydrophobicContact CB-CD1 3.64Å; C536-Y650 HydrophobicContact CB-CD2 4.46Å; C536-Y650 HydrophobicContact CB-CE1 3.96Å; C536-Y650 HydrophobicContact CB-CG 3.92Å; K537-Y650 WeakPolarHBondContact CE-OH 3.49Å; K537-Y650 HydrophobicContact CG-CE2 4.5Å; K537-Y650 WeakPolarHBondContact CG-OH 3.39Å; E646-Y650 VanDerWaalsContact O-CD2 3.32Å; E646-Y650 WeakPolarHBondContact O-CD2 3.48Å; G647-Y650 PolarHBondContact O-N 3.29Å; M648-Y650 PolarHBondContact O-N 2.72Å; Y650-T652 VanDerWaalsContact C-N 3.33Å; Y650-T652 PolarHBondContact O-N 3.04Å; Y650-M653 WeakPolarHBondContact O-CG 3.24Å; Y650-M653 PolarHBondContact O-N 2.85Å |
| 651 | I | 84.9 | Confident | 86.7 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -74 | -24.1 | -178.5 | 60.3 | 171.7 | 0 | 0 | 0 | 112.9 | L532 L559 L560 G647 M648 M653 N654 V657 | L532-I651 HydrophobicContact CD2-CG2 4.21Å; L559-I651 HydrophobicContact CB-CG2 4.39Å; L559-I651 HydrophobicContact CD1-CG2 4.32Å; L560-I651 HydrophobicContact CB-CD1 3.92Å; L560-I651 HydrophobicContact CD1-CD1 4.02Å; G647-I651 PolarHBondContact O-N 3.31Å; M648-I651 HydrophobicContact CG-CD1 4.26Å; M648-I651 PolarHBondContact O-N 3.06Å; I651-M653 PolarHBondContact O-N 3.35Å; I651-N654 WeakPolarHBondContact O-CB 3.34Å; I651-N654 PolarHBondContact O-N 3.38Å; I651-N654 VanDerWaalsContact O-N 3.13Å; I651-V657 HydrophobicContact CB-CG1 4.34Å; I651-V657 HydrophobicContact CD1-CG1 4.18Å; I651-V657 HydrophobicContact CG1-CG1 4.08Å; I651-V657 WeakPolarHBondContact O-CB 3.48Å |
| 652 | T | 88.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -6.8 | 177.8 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | M648 A649 Y650 N654 V657 K658 I661 V689 H692 | M648-T652 VanDerWaalsContact O-CB 3.23Å; M648-T652 WeakPolarHBondContact O-CB 3.33Å; M648-T652 WeakPolarHBondContact O-CG2 3.44Å; M648-T652 PolarHBondContact O-N 2.88Å; M648-T652 PolarHBondContact O-OG1 2.65Å; A649-T652 PolarHBondContact O-OG1 3.06Å; Y650-T652 VanDerWaalsContact C-N 3.33Å; Y650-T652 PolarHBondContact O-N 3.04Å; T652-N654 PolarHBondContact O-N 3.1Å; T652-V657 HydrophobicContact CG2-CG1 4.43Å; T652-K658 WeakPolarHBondContact O-CE 3.4Å; T652-K658 WeakPolarHBondContact O-CG 3.41Å; T652-I661 HydrophobicContact CG2-CD1 3.42Å; T652-I661 VanDerWaalsContact CG2-CD1 3.42Å; T652-V689 HydrophobicContact CG2-CG1 4.17Å; T652-V689 HydrophobicContact CG2-CG2 4.46Å; T652-H692 PolarHBondContact OG1-ND1 3.23Å |
| 653 | M | 82.6 | Confident | 87.5 | Confident | 128 Ų | 128 | 27.4 Ų | 27.4 | 63% | 0.631 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.2 | 167.7 | -64.1 | -177.2 | 69.2 | 0 | 0 | 111.5 | Y650 I651 | Y650-M653 WeakPolarHBondContact O-CG 3.24Å; Y650-M653 PolarHBondContact O-N 2.85Å; I651-M653 PolarHBondContact O-N 3.35Å |
| 654 | N | 83 | Confident | 87.9 | Confident | 36 Ų | 36 | 28.6 Ų | 28.6 | 19% | 0.193 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -78.9 | 129.7 | 176.4 | -174 | -37 | 0 | 0 | 0 | 111.2 | N556 I651 T652 D656 V657 K658 | N556-N654 PolarHBondContact ND2-ND2 2.64Å; I651-N654 WeakPolarHBondContact O-CB 3.34Å; I651-N654 PolarHBondContact O-N 3.38Å; I651-N654 VanDerWaalsContact O-N 3.13Å; T652-N654 PolarHBondContact O-N 3.1Å; N654-D656 PolarHBondContact O-N 3.39Å; N654-D656 WeakPolarHBondContact OD1-CB 3.2Å; N654-D656 PolarHBondContact OD1-N 3.34Å; N654-V657 HydrophobicContact CB-CB 4.38Å; N654-V657 HydrophobicContact CB-CG2 3.99Å; N654-V657 PolarHBondContact O-N 3.46Å; N654-K658 WeakPolarHBondContact O-CG 3.43Å; N654-K658 PolarHBondContact O-N 3.33Å |
| 655 | A | 83.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -34.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V657 K658 E659 H721 D724 | A655-V657 VanDerWaalsContact C-N 3.33Å; A655-V657 PolarHBondContact O-N 3.36Å; A655-K658 WeakPolarHBondContact O-CB 3.33Å; A655-K658 PolarHBondContact O-N 3.44Å; A655-E659 PolarHBondContact O-N 3.04Å; A655-H721 HydrophobicContact CB-CB 3.71Å; A655-H721 VanDerWaalsContact CB-CG 3.45Å; A655-H721 VanDerWaalsContact CB-ND1 3.28Å; A655-H721 WeakPolarHBondContact CB-ND1 3.23Å; A655-D724 WeakPolarHBondContact CB-OD2 3.35Å |
| 656 | D | 86.3 | Confident | 88 | Confident | 62 Ų | 62 | 35.9 Ų | 35.9 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.3 | -66.6 | -39.3 | 0 | 0 | 0 | 111.4 | N654 K658 E659 E660 H721 Y723 | N654-D656 PolarHBondContact O-N 3.39Å; N654-D656 WeakPolarHBondContact OD1-CB 3.2Å; N654-D656 PolarHBondContact OD1-N 3.34Å; D656-K658 VanDerWaalsContact C-N 3.31Å; D656-K658 PolarHBondContact O-N 2.95Å; D656-E659 PolarHBondContact O-N 3Å; D656-E660 PolarHBondContact O-N 3.06Å; D656-H721 IonicContact OD1-CE1 3.34Å; D656-H721 PolarHBondContact OD1-CE1 3.15Å; D656-H721 IonicContact OD1-NE2 2.97Å; D656-Y723 WeakPolarHBondContact OD1-CD2 3.4Å; D656-Y723 VanDerWaalsContact OD1-CE2 3.3Å; D656-Y723 WeakPolarHBondContact OD1-CE2 3.46Å |
| 657 | V | 87.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | N556 L560 I651 T652 N654 A655 E659 E660 I661 | N556-V657 HydrophobicContact CB-CG2 3.79Å; L560-V657 HydrophobicContact CD1-CG1 4.3Å; L560-V657 HydrophobicContact CD2-CG1 4.25Å; I651-V657 HydrophobicContact CB-CG1 4.34Å; I651-V657 HydrophobicContact CD1-CG1 4.18Å; I651-V657 HydrophobicContact CG1-CG1 4.08Å; I651-V657 WeakPolarHBondContact O-CB 3.48Å; T652-V657 HydrophobicContact CG2-CG1 4.43Å; N654-V657 HydrophobicContact CB-CB 4.38Å; N654-V657 HydrophobicContact CB-CG2 3.99Å; N654-V657 PolarHBondContact O-N 3.46Å; A655-V657 VanDerWaalsContact C-N 3.33Å; A655-V657 PolarHBondContact O-N 3.36Å; V657-E659 VanDerWaalsContact C-N 3.33Å; V657-E659 PolarHBondContact O-N 3.11Å; V657-E660 PolarHBondContact O-N 2.66Å; V657-I661 HydrophobicContact CG1-CD1 3.75Å; V657-I661 HydrophobicContact CG1-CG1 4.38Å; V657-I661 WeakPolarHBondContact O-CB 3.4Å; V657-I661 WeakPolarHBondContact O-CD1 3.46Å; V657-I661 VanDerWaalsContact O-CG1 3.23Å; V657-I661 WeakPolarHBondContact O-CG1 3.14Å; V657-I661 PolarHBondContact O-N 2.9Å |
| 658 | K | 90.9 | Very high | 88.7 | Confident | 12 Ų | 12 | 35 Ų | 35 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 176.2 | -60.4 | 170.9 | -157 | 168.8 | 0 | 110.6 | T652 N654 A655 D656 I661 I662 L693 D724 | T652-K658 WeakPolarHBondContact O-CE 3.4Å; T652-K658 WeakPolarHBondContact O-CG 3.41Å; N654-K658 WeakPolarHBondContact O-CG 3.43Å; N654-K658 PolarHBondContact O-N 3.33Å; A655-K658 WeakPolarHBondContact O-CB 3.33Å; A655-K658 PolarHBondContact O-N 3.44Å; D656-K658 VanDerWaalsContact C-N 3.31Å; D656-K658 PolarHBondContact O-N 2.95Å; K658-I661 PolarHBondContact O-N 3.32Å; K658-I662 WeakPolarHBondContact O-CG1 3.31Å; K658-I662 PolarHBondContact O-N 3.43Å; K658-L693 HydrophobicContact CB-CD2 4.07Å; K658-L693 HydrophobicContact CG-CD2 4.32Å; K658-D724 IonicContact NZ-OD1 2.69Å; K658-D724 PolarHBondContact NZ-OD1 3.37Å; K658-D724 IonicContact NZ-OD2 3.03Å; K658-D724 PolarHBondContact NZ-OD2 2.94Å |
| 659 | E | 90.6 | Very high | 88.7 | Confident | 30 Ų | 30 | 37.1 Ų | 37.1 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.3 | -37.8 | -178 | -161.7 | 61.7 | -161.2 | 0 | 0 | 112 | A655 D656 V657 I662 N663 Y723 R732 | A655-E659 PolarHBondContact O-N 3.04Å; D656-E659 PolarHBondContact O-N 3Å; V657-E659 VanDerWaalsContact C-N 3.33Å; V657-E659 PolarHBondContact O-N 3.11Å; E659-I662 PolarHBondContact O-N 2.82Å; E659-N663 WeakPolarHBondContact O-CB 3.21Å; E659-N663 VanDerWaalsContact O-CG 3.29Å; E659-N663 PolarHBondContact O-N 2.92Å; E659-N663 PolarHBondContact O-ND2 3.01Å; E659-Y723 HydrophobicContact CB-CD2 4.23Å; E659-Y723 HydrophobicContact CB-CG 4.25Å; E659-Y723 HydrophobicContact CG-CD1 4.15Å; E659-Y723 HydrophobicContact CG-CE1 4.2Å; E659-Y723 HydrophobicContact CG-CG 4.4Å; E659-R732 VanDerWaalsContact OE2-CD 3.29Å; E659-R732 WeakPolarHBondContact OE2-CD 3.33Å; E659-R732 IonicContact OE2-NE 2.88Å |
| 660 | E | 90.1 | Very high | 88.9 | Confident | 71 Ų | 71 | 36.6 Ų | 36.6 | 33% | 0.332 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.1 | -42.3 | 174.5 | -167.9 | 168.5 | -178.8 | 0 | 0 | 111.8 | V557 L560 D656 V657 N663 D664 | V557-E660 WeakPolarHBondContact CG1-OE2 3.25Å; V557-E660 WeakPolarHBondContact CG2-OE2 3.46Å; L560-E660 HydrophobicContact CD2-CB 3.9Å; L560-E660 HydrophobicContact CD2-CG 3.76Å; D656-E660 PolarHBondContact O-N 3.06Å; V657-E660 PolarHBondContact O-N 2.66Å; E660-N663 PolarHBondContact O-N 2.88Å; E660-D664 PolarHBondContact O-N 3.44Å; E660-D664 VanDerWaalsContact O-N 3.13Å |
| 661 | I | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 173.6 | -70.2 | 163.1 | 0 | 0 | 0 | 110.7 | L560 M648 T652 V657 K658 N663 D664 L667 V668 L671 L693 | L560-I661 HydrophobicContact CD1-CD1 3.88Å; L560-I661 HydrophobicContact CD1-CG1 3.55Å; L560-I661 HydrophobicContact CD2-CG1 4.02Å; L560-I661 HydrophobicContact CG-CG1 4.43Å; M648-I661 HydrophobicContact CE-CD1 3.61Å; M648-I661 HydrophobicContact CE-CG1 3.95Å; T652-I661 HydrophobicContact CG2-CD1 3.42Å; T652-I661 VanDerWaalsContact CG2-CD1 3.42Å; V657-I661 HydrophobicContact CG1-CD1 3.75Å; V657-I661 HydrophobicContact CG1-CG1 4.38Å; V657-I661 WeakPolarHBondContact O-CB 3.4Å; V657-I661 WeakPolarHBondContact O-CD1 3.46Å; V657-I661 VanDerWaalsContact O-CG1 3.23Å; V657-I661 WeakPolarHBondContact O-CG1 3.14Å; V657-I661 PolarHBondContact O-N 2.9Å; K658-I661 PolarHBondContact O-N 3.32Å; I661-N663 PolarHBondContact O-N 3.3Å; I661-D664 PolarHBondContact O-N 2.96Å; I661-L667 HydrophobicContact CG1-CD2 4.05Å; I661-L667 HydrophobicContact CG2-CD2 4.39Å; I661-V668 HydrophobicContact CG2-CG2 3.86Å; I661-V668 WeakPolarHBondContact O-CG2 3.41Å; I661-L671 HydrophobicContact CG2-CD1 4.09Å; I661-L693 HydrophobicContact CB-CD2 4.08Å; I661-L693 HydrophobicContact CD1-CD2 4.12Å; I661-L693 HydrophobicContact CG2-CD1 3.97Å; I661-L693 HydrophobicContact CG2-CD2 3.94Å |
| 662 | I | 92.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -30.5 | -177.4 | -67.7 | -70.9 | 0 | 0 | 0 | 111.4 | K658 E659 L693 R732 K735 L736 | K658-I662 WeakPolarHBondContact O-CG1 3.31Å; K658-I662 PolarHBondContact O-N 3.43Å; E659-I662 PolarHBondContact O-N 2.82Å; I662-L693 HydrophobicContact CD1-CD2 4.48Å; I662-L693 HydrophobicContact CG1-CD2 4.34Å; I662-R732 HydrophobicContact CB-CG 4.42Å; I662-R732 HydrophobicContact CD1-CB 4.46Å; I662-R732 HydrophobicContact CG1-CB 4.39Å; I662-R732 HydrophobicContact CG1-CG 3.97Å; I662-R732 HydrophobicContact CG2-CG 4.18Å; I662-K735 HydrophobicContact CG2-CB 4.48Å; I662-K735 HydrophobicContact CG2-CD 3.66Å; I662-K735 HydrophobicContact CG2-CG 4.37Å; I662-K735 WeakPolarHBondContact O-CE 3.46Å; I662-K735 PolarHBondContact O-NZ 3.48Å; I662-L736 HydrophobicContact CD1-CD1 3.85Å; I662-L736 HydrophobicContact CD1-CD2 3.48Å; I662-L736 VanDerWaalsContact CD1-CD2 3.48Å; I662-L736 HydrophobicContact CD1-CG 3.5Å |
| 663 | N | 91.3 | Very high | 89.5 | Confident | 103 Ų | 103 | 34.6 Ų | 34.6 | 55% | 0.551 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -74.7 | -27.3 | 175.2 | -72.6 | -34.7 | 0 | 0 | 0 | 113.4 | E659 E660 I661 G665 | E659-N663 WeakPolarHBondContact O-CB 3.21Å; E659-N663 VanDerWaalsContact O-CG 3.29Å; E659-N663 PolarHBondContact O-N 2.92Å; E659-N663 PolarHBondContact O-ND2 3.01Å; E660-N663 PolarHBondContact O-N 2.88Å; I661-N663 PolarHBondContact O-N 3.3Å; N663-G665 PolarHBondContact O-N 3.06Å |
| 664 | D | 91.8 | Very high | 89.8 | Confident | 38 Ų | 38 | 28.5 Ų | 28.5 | 20% | 0.203 | 16% | 0.159 | C | C | . | . | trans | -83.5 | 91.9 | 173.6 | -168.5 | -22.1 | 0 | 0 | 0 | 111.8 | R564 E660 I661 E666 L667 V668 | R564-D664 WeakPolarHBondContact CD-OD2 3.38Å; R564-D664 IonicContact CZ-OD2 3.2Å; R564-D664 IonicContact NE-OD2 2.7Å; R564-D664 PolarHBondContact NE-OD2 3.17Å; R564-D664 IonicContact NH2-OD1 3.04Å; R564-D664 IonicContact NH2-OD2 3.28Å; E660-D664 PolarHBondContact O-N 3.44Å; E660-D664 VanDerWaalsContact O-N 3.13Å; I661-D664 PolarHBondContact O-N 2.96Å; D664-E666 VanDerWaalsContact C-N 3.29Å; D664-E666 PolarHBondContact O-N 3.13Å; D664-E666 PolarHBondContact OD1-N 3.35Å; D664-L667 HydrophobicContact CB-CB 3.81Å; D664-L667 HydrophobicContact CB-CD2 4.46Å; D664-L667 VanDerWaalsContact CG-CB 3.42Å; D664-L667 PolarHBondContact O-N 3.01Å; D664-L667 PolarHBondContact OD1-N 3.26Å; D664-V668 PolarHBondContact O-N 3.44Å; D664-V668 VanDerWaalsContact O-N 3.09Å | ||
| 665 | G | 90.3 | Very high | 89.8 | Confident | 34 Ų | 34 | 26.8 Ų | 26.8 | 35% | 0.351 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.2 | -33.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N663 S669 M739 | N663-G665 PolarHBondContact O-N 3.06Å; G665-S669 WeakPolarHBondContact O-CB 3.48Å; G665-S669 PolarHBondContact O-N 2.92Å; G665-S669 VanDerWaalsContact O-N 3.1Å; G665-M739 VanDerWaalsContact O-CE 3.27Å; G665-M739 WeakPolarHBondContact O-CE 3.33Å |
| 666 | E | 89.8 | Confident | 89.6 | Confident | 120 Ų | 120 | 30.9 Ų | 30.9 | 56% | 0.561 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -69.4 | -44.7 | 177.6 | -68.3 | -178.6 | 175.3 | 0 | 0 | 110.7 | R564 D664 S669 A670 | R564-E666 IonicContact CZ-OE2 2.76Å; R564-E666 IonicContact NH2-OE2 3.76Å; R564-E666 PolarHBondContact NH2-OE2 3.38Å; D664-E666 VanDerWaalsContact C-N 3.29Å; D664-E666 PolarHBondContact O-N 3.13Å; D664-E666 PolarHBondContact OD1-N 3.35Å; E666-S669 WeakPolarHBondContact O-CB 3.4Å; E666-S669 PolarHBondContact O-N 3.02Å; E666-A670 PolarHBondContact O-N 3.18Å |
| 667 | L | 91.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 178.8 | 178.2 | 58.5 | 0 | 0 | 0 | 111.6 | L560 R564 L567 M648 I661 D664 S669 A670 L671 | L560-L667 HydrophobicContact CD1-CD2 4.03Å; R564-L667 HydrophobicContact CB-CD1 4.3Å; R564-L667 HydrophobicContact CG-CD1 4.23Å; L567-L667 HydrophobicContact CD2-CD1 3.86Å; M648-L667 HydrophobicContact CE-CD1 4.28Å; M648-L667 HydrophobicContact CE-CD2 4.09Å; M648-L667 HydrophobicContact CE-CG 4.36Å; M648-L667 HydrophobicContact SD-CD1 4.38Å; I661-L667 HydrophobicContact CG1-CD2 4.05Å; I661-L667 HydrophobicContact CG2-CD2 4.39Å; D664-L667 HydrophobicContact CB-CB 3.81Å; D664-L667 HydrophobicContact CB-CD2 4.46Å; D664-L667 VanDerWaalsContact CG-CB 3.42Å; D664-L667 PolarHBondContact O-N 3.01Å; D664-L667 PolarHBondContact OD1-N 3.26Å; L667-S669 VanDerWaalsContact C-N 3.34Å; L667-S669 PolarHBondContact O-N 3.38Å; L667-A670 WeakPolarHBondContact O-CB 3.35Å; L667-A670 PolarHBondContact O-N 3.09Å; L667-L671 HydrophobicContact CG-CD1 4.44Å; L667-L671 WeakPolarHBondContact O-CG 3.45Å; L667-L671 PolarHBondContact O-N 2.83Å |
| 668 | V | 92.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | I661 D664 A670 L671 L672 L736 M739 | I661-V668 HydrophobicContact CG2-CG2 3.86Å; I661-V668 WeakPolarHBondContact O-CG2 3.41Å; D664-V668 PolarHBondContact O-N 3.44Å; D664-V668 VanDerWaalsContact O-N 3.09Å; V668-A670 VanDerWaalsContact C-N 3.31Å; V668-A670 PolarHBondContact O-N 2.9Å; V668-L671 PolarHBondContact O-N 3.4Å; V668-L672 HydrophobicContact CG1-CD1 3.98Å; V668-L672 HydrophobicContact CG1-CG 4.24Å; V668-L672 WeakPolarHBondContact O-CB 3.48Å; V668-L672 VanDerWaalsContact O-CG 3.28Å; V668-L672 WeakPolarHBondContact O-CG 3.18Å; V668-L672 PolarHBondContact O-N 3.12Å; V668-L736 HydrophobicContact CG1-CD2 3.82Å; V668-M739 HydrophobicContact CB-CE 3.55Å; V668-M739 HydrophobicContact CB-SD 4.12Å; V668-M739 HydrophobicContact CG1-CB 4.35Å; V668-M739 HydrophobicContact CG1-CE 3.53Å; V668-M739 HydrophobicContact CG1-SD 3.72Å |
| 669 | S | 91.3 | Very high | 87.5 | Confident | 44 Ų | 44 | 31.5 Ų | 31.5 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 174.8 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | G665 E666 L667 L672 S673 | G665-S669 WeakPolarHBondContact O-CB 3.48Å; G665-S669 PolarHBondContact O-N 2.92Å; G665-S669 VanDerWaalsContact O-N 3.1Å; E666-S669 WeakPolarHBondContact O-CB 3.4Å; E666-S669 PolarHBondContact O-N 3.02Å; L667-S669 VanDerWaalsContact C-N 3.34Å; L667-S669 PolarHBondContact O-N 3.38Å; S669-L672 PolarHBondContact O-N 3.44Å; S669-S673 WeakPolarHBondContact O-CB 3.36Å; S669-S673 PolarHBondContact O-N 3.5Å; S669-S673 PolarHBondContact O-OG 3.34Å |
| 670 | A | 89.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L567 L568 I633 F635 E666 L667 V668 L672 S673 F674 | L567-A670 HydrophobicContact CD2-CB 3.93Å; L567-A670 HydrophobicContact CG-CB 4.11Å; L568-A670 HydrophobicContact CD2-CB 3.57Å; L568-A670 HydrophobicContact CG-CB 4.46Å; I633-A670 HydrophobicContact CD1-CB 3.96Å; F635-A670 WeakPolarHBondContact CZ-O 3.48Å; E666-A670 PolarHBondContact O-N 3.18Å; L667-A670 WeakPolarHBondContact O-CB 3.35Å; L667-A670 PolarHBondContact O-N 3.09Å; V668-A670 VanDerWaalsContact C-N 3.31Å; V668-A670 PolarHBondContact O-N 2.9Å; A670-L672 VanDerWaalsContact C-N 3.35Å; A670-L672 PolarHBondContact O-N 3.35Å; A670-S673 WeakPolarHBondContact CA-OG 3.34Å; A670-S673 PolarHBondContact O-N 3.13Å; A670-S673 PolarHBondContact O-OG 2.98Å; A670-F674 WeakPolarHBondContact O-CB 3.42Å; A670-F674 PolarHBondContact O-N 3.15Å |
| 671 | L | 91.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.6 | -72.2 | 170.1 | 0 | 0 | 0 | 112.2 | L567 V645 M648 I661 L667 V668 F674 L686 V689 | L567-L671 HydrophobicContact CD2-CD2 3.66Å; L567-L671 HydrophobicContact CD2-CG 3.92Å; V645-L671 HydrophobicContact CG2-CD2 4Å; M648-L671 HydrophobicContact CE-CD1 3.71Å; M648-L671 HydrophobicContact CE-CD2 4.06Å; M648-L671 HydrophobicContact CE-CG 4.33Å; M648-L671 HydrophobicContact SD-CD2 3.94Å; I661-L671 HydrophobicContact CG2-CD1 4.09Å; L667-L671 HydrophobicContact CG-CD1 4.44Å; L667-L671 WeakPolarHBondContact O-CG 3.45Å; L667-L671 PolarHBondContact O-N 2.83Å; V668-L671 PolarHBondContact O-N 3.4Å; L671-F674 WeakPolarHBondContact O-CB 3.29Å; L671-F674 PolarHBondContact O-N 3.18Å; L671-L686 HydrophobicContact CD2-CD1 4.44Å; L671-V689 HydrophobicContact CD1-CG1 4.22Å |
| 672 | L | 92.1 | Very high | 84.7 | Confident | 12 Ų | 12 | 30.8 Ų | 30.8 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.1 | -39 | -178.8 | -67.5 | -179.3 | 0 | 0 | 0 | 112.3 | V668 S669 A670 F674 A675 L690 M739 L741 S744 | V668-L672 HydrophobicContact CG1-CD1 3.98Å; V668-L672 HydrophobicContact CG1-CG 4.24Å; V668-L672 WeakPolarHBondContact O-CB 3.48Å; V668-L672 VanDerWaalsContact O-CG 3.28Å; V668-L672 WeakPolarHBondContact O-CG 3.18Å; V668-L672 PolarHBondContact O-N 3.12Å; S669-L672 PolarHBondContact O-N 3.44Å; A670-L672 VanDerWaalsContact C-N 3.35Å; A670-L672 PolarHBondContact O-N 3.35Å; L672-F674 VanDerWaalsContact C-N 3.33Å; L672-A675 VanDerWaalsContact O-CB 3.24Å; L672-A675 WeakPolarHBondContact O-CB 3.49Å; L672-A675 PolarHBondContact O-N 3.18Å; L672-L690 HydrophobicContact CD2-CD2 4.07Å; L672-M739 HydrophobicContact CD1-CB 4Å; L672-M739 WeakPolarHBondContact CD1-O 3.34Å; L672-L741 HydrophobicContact CD2-CB 4.22Å; L672-L741 HydrophobicContact CD2-CD1 3.86Å; L672-S744 PolarHBondContact O-OG 2.96Å |
| 673 | S | 88 | Confident | 84.2 | Confident | 21 Ų | 21 | 31.1 Ų | 31.1 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.6 | -26.1 | 174.2 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | S669 A670 A675 E676 H677 | S669-S673 WeakPolarHBondContact O-CB 3.36Å; S669-S673 PolarHBondContact O-N 3.5Å; S669-S673 PolarHBondContact O-OG 3.34Å; A670-S673 WeakPolarHBondContact CA-OG 3.34Å; A670-S673 PolarHBondContact O-N 3.13Å; A670-S673 PolarHBondContact O-OG 2.98Å; S673-A675 PolarHBondContact O-N 2.93Å; S673-E676 WeakPolarHBondContact O-CB 3.49Å; S673-E676 PolarHBondContact O-N 3.29Å; S673-E676 VanDerWaalsContact O-N 3.09Å; S673-H677 PolarHBondContact O-ND1 2.99Å |
| 674 | F | 87.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -28.6 | 172.4 | -174.3 | -112.3 | 0 | 0 | 0 | 111.7 | F635 L638 A641 V645 A670 L671 L672 E676 H677 C678 L686 | F635-F674 HydrophobicContact CD1-CD2 4.47Å; F635-F674 HydrophobicContact CD2-CD2 4.4Å; F635-F674 HydrophobicContact CE1-CB 4.36Å; F635-F674 HydrophobicContact CE1-CD2 4.2Å; F635-F674 HydrophobicContact CE2-CB 4.16Å; F635-F674 HydrophobicContact CE2-CD2 4.13Å; F635-F674 HydrophobicContact CZ-CB 3.71Å; F635-F674 HydrophobicContact CZ-CD2 4.03Å; F635-F674 HydrophobicContact CZ-CG 4.37Å; L638-F674 HydrophobicContact CD2-CE2 4.33Å; A641-F674 HydrophobicContact CB-CD2 3.94Å; A641-F674 HydrophobicContact CB-CE2 3.52Å; A641-F674 HydrophobicContact CB-CZ 4.25Å; V645-F674 HydrophobicContact CB-CE1 4.33Å; V645-F674 HydrophobicContact CG2-CD1 3.78Å; V645-F674 HydrophobicContact CG2-CE1 3.88Å; V645-F674 HydrophobicContact CG2-CG 4.46Å; A670-F674 WeakPolarHBondContact O-CB 3.42Å; A670-F674 PolarHBondContact O-N 3.15Å; L671-F674 WeakPolarHBondContact O-CB 3.29Å; L671-F674 PolarHBondContact O-N 3.18Å; L672-F674 VanDerWaalsContact C-N 3.33Å; F674-E676 PolarHBondContact O-N 3.13Å; F674-H677 CarbonylContact O-C 3.23Å; F674-H677 PolarHBondContact O-N 2.87Å; F674-C678 HydrophobicContact CD1-CB 3.87Å; F674-C678 HydrophobicContact CE1-CB 3.62Å; F674-C678 HydrophobicContact CG-CB 4.48Å; F674-C678 HydrophobicContact CZ-CB 4.04Å; F674-C678 WeakPolarHBondContact O-CA 3.09Å; F674-C678 VanDerWaalsContact O-CB 3.26Å; F674-C678 WeakPolarHBondContact O-CB 3.5Å; F674-C678 PolarHBondContact O-N 3.21Å; F674-L686 HydrophobicContact CD1-CD1 4.37Å; F674-L686 HydrophobicContact CD1-CD2 4.06Å |
| 675 | A | 83.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.8 | -28.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L672 S673 H677 C678 L686 S744 L748 R751 | L672-A675 VanDerWaalsContact O-CB 3.24Å; L672-A675 WeakPolarHBondContact O-CB 3.49Å; L672-A675 PolarHBondContact O-N 3.18Å; S673-A675 PolarHBondContact O-N 2.93Å; A675-H677 VanDerWaalsContact C-N 3.27Å; A675-H677 PolarHBondContact O-N 3.42Å; A675-C678 PolarHBondContact O-SG 3.34Å; A675-L686 HydrophobicContact CB-CD2 3.82Å; A675-S744 WeakPolarHBondContact CB-OG 3.44Å; A675-L748 HydrophobicContact CB-CD1 4.09Å; A675-L748 HydrophobicContact CB-CD2 4.08Å; A675-L748 HydrophobicContact CB-CG 3.9Å; A675-R751 PolarHBondContact O-NH1 2.9Å |
| 676 | E | 79.8 | Confident | 83.6 | Confident | 91 Ų | 91 | 27.1 Ų | 27.1 | 43% | 0.425 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -69.1 | -30.2 | 175.6 | -67.8 | -176.5 | 169.9 | 0 | 0 | 111.8 | S673 F674 Q747 R751 | S673-E676 WeakPolarHBondContact O-CB 3.49Å; S673-E676 PolarHBondContact O-N 3.29Å; S673-E676 VanDerWaalsContact O-N 3.09Å; F674-E676 PolarHBondContact O-N 3.13Å; E676-Q747 VanDerWaalsContact CG-CD 3.47Å; E676-Q747 PolarHBondContact OE1-NE2 3.09Å; E676-R751 PolarHBondContact O-NH1 3.23Å |
| 677 | H | 78 | Confident | 83.6 | Confident | 73 Ų | 73 | 21.4 Ų | 21.4 | 34% | 0.338 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -114.8 | -8.2 | -170.1 | -59.3 | 88 | 0 | 0 | 0 | 113.7 | F635 L638 S673 F674 A675 | F635-H677 HydrophobicContact CD2-CB 4.36Å; L638-H677 HydrophobicContact CD2-CB 3.81Å; S673-H677 PolarHBondContact O-ND1 2.99Å; F674-H677 CarbonylContact O-C 3.23Å; F674-H677 PolarHBondContact O-N 2.87Å; A675-H677 VanDerWaalsContact C-N 3.27Å; A675-H677 PolarHBondContact O-N 3.42Å |
| 678 | C | 74.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -61.7 | 141.4 | -172.1 | 69.2 | 0 | 0 | 0 | 0 | 111.2 | F674 A675 S682 L686 L748 R751 | F674-C678 HydrophobicContact CD1-CB 3.87Å; F674-C678 HydrophobicContact CE1-CB 3.62Å; F674-C678 HydrophobicContact CG-CB 4.48Å; F674-C678 HydrophobicContact CZ-CB 4.04Å; F674-C678 WeakPolarHBondContact O-CA 3.09Å; F674-C678 VanDerWaalsContact O-CB 3.26Å; F674-C678 WeakPolarHBondContact O-CB 3.5Å; F674-C678 PolarHBondContact O-N 3.21Å; A675-C678 PolarHBondContact O-SG 3.34Å; C678-S682 WeakPolarHBondContact CB-OG 3.36Å; C678-L686 HydrophobicContact CB-CD2 4.39Å; C678-L748 WeakPolarHBondContact SG-CD2 3.26Å; C678-R751 PolarHBondContact O-NH1 2.78Å; C678-R751 PolarHBondContact O-NH2 3.5Å | ||
| 679 | Q | 68.4 | Low | 83.5 | Confident | 15 Ų | 15 | 21.8 Ų | 21.8 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | trans | -78.4 | 167 | 175.4 | -52.4 | 176.2 | -0.8 | 0 | 0 | 110.5 | D639 D681 S682 S683 | D639-Q679 PolarHBondContact OD1-NE2 2.93Å; Q679-D681 VanDerWaalsContact C-N 3.26Å; Q679-D681 PolarHBondContact O-N 3.31Å; Q679-S682 PolarHBondContact N-OG 3.46Å; Q679-S682 PolarHBondContact O-N 3.48Å; Q679-S682 PolarHBondContact O-OG 3.47Å; Q679-S683 PolarHBondContact O-N 2.75Å; Q679-S683 PolarHBondContact O-OG 3.37Å | ||
| 680 | K | 67.2 | Low | 83.7 | Confident | 38 Ų | 38 | 19.8 Ų | 19.8 | 17% | 0.165 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -53.5 | -43.4 | 177.7 | -70.5 | 177.7 | -168.9 | -177 | 0 | 112.1 | E321 D400 T404 S683 T755 | E321-K680 IonicContact OE1-NZ 3.05Å; E321-K680 PolarHBondContact OE1-NZ 3.39Å; D400-K680 HydrophobicContact CB-CD 4.07Å; D400-K680 HydrophobicContact CB-CG 4.42Å; D400-K680 PolarHBondContact OD1-N 3.12Å; D400-K680 VanDerWaalsContact OD1-N 3.09Å; T404-K680 PolarHBondContact OG1-NZ 2.75Å; K680-S683 WeakPolarHBondContact O-CB 3.38Å; K680-S683 PolarHBondContact O-N 2.85Å; K680-T755 HydrophobicContact CD-CG2 4.13Å |
| 681 | D | 69 | Low | 83.8 | Confident | 48 Ų | 48 | 19.8 Ų | 19.8 | 26% | 0.257 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -71.5 | -40 | -175.1 | -60 | -3.4 | 0 | 0 | 0 | 111.8 | M403 Q679 S683 | M403-D681 WeakPolarHBondContact CB-OD1 3.36Å; M403-D681 WeakPolarHBondContact CE-OD1 3.45Å; M403-D681 WeakPolarHBondContact CG-OD1 2.94Å; Q679-D681 VanDerWaalsContact C-N 3.26Å; Q679-D681 PolarHBondContact O-N 3.31Å; D681-S683 VanDerWaalsContact C-N 3.27Å; D681-S683 PolarHBondContact O-N 3.2Å |
| 682 | S | 77.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.5 | -17.3 | 177.9 | 68.9 | 0 | 0 | 0 | 0 | 114.6 | H642 C678 Q679 F684 A685 L686 | H642-S682 WeakPolarHBondContact ND1-CA 3.44Å; H642-S682 WeakPolarHBondContact ND1-CB 3.37Å; C678-S682 WeakPolarHBondContact CB-OG 3.36Å; Q679-S682 PolarHBondContact N-OG 3.46Å; Q679-S682 PolarHBondContact O-N 3.48Å; Q679-S682 PolarHBondContact O-OG 3.47Å; S682-F684 VanDerWaalsContact C-N 3.31Å; S682-F684 PolarHBondContact O-N 2.97Å; S682-A685 PolarHBondContact O-N 3.38Å; S682-L686 WeakPolarHBondContact O-CB 3.31Å; S682-L686 PolarHBondContact O-N 3.45Å |
| 683 | S | 83.8 | Confident | 83.9 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 7% | 0.07 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | -174.9 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | Q679 K680 D681 C687 | Q679-S683 PolarHBondContact O-N 2.75Å; Q679-S683 PolarHBondContact O-OG 3.37Å; K680-S683 WeakPolarHBondContact O-CB 3.38Å; K680-S683 PolarHBondContact O-N 2.85Å; D681-S683 VanDerWaalsContact C-N 3.27Å; D681-S683 PolarHBondContact O-N 3.2Å; S683-C687 WeakPolarHBondContact O-CB 3.35Å; S683-C687 PolarHBondContact O-N 3.46Å; S683-C687 PolarHBondContact O-SG 2.74Å |
| 684 | F | 84.3 | Confident | 84.1 | Confident | 89 Ų | 89 | 19.7 Ų | 19.7 | 39% | 0.39 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -69.1 | -42.8 | 177.8 | -172.4 | -91.9 | 0 | 0 | 0 | 112.6 | S682 C687 S688 L763 L766 | S682-F684 VanDerWaalsContact C-N 3.31Å; S682-F684 PolarHBondContact O-N 2.97Å; F684-C687 PolarHBondContact O-N 2.85Å; F684-S688 WeakPolarHBondContact CE1-OG 3.24Å; F684-S688 WeakPolarHBondContact O-CB 3.12Å; F684-S688 PolarHBondContact O-N 2.89Å; F684-S688 PolarHBondContact O-OG 3.19Å; F684-L763 HydrophobicContact CD2-CB 4.27Å; F684-L763 HydrophobicContact CD2-CD1 4.44Å; F684-L766 HydrophobicContact CE2-CD2 4.35Å |
| 685 | A | 84.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V645 E646 A649 S682 C687 S688 V689 | V645-A685 HydrophobicContact CG1-CB 4.08Å; E646-A685 HydrophobicContact CB-CB 4.46Å; E646-A685 WeakPolarHBondContact OE2-CB 3.36Å; A649-A685 HydrophobicContact CB-CB 4.29Å; S682-A685 PolarHBondContact O-N 3.38Å; A685-C687 PolarHBondContact O-N 3.42Å; A685-S688 WeakPolarHBondContact O-CB 3.2Å; A685-S688 PolarHBondContact O-N 3.14Å; A685-S688 VanDerWaalsContact O-N 3.11Å; A685-V689 WeakPolarHBondContact O-CG2 3.39Å; A685-V689 PolarHBondContact O-N 3.25Å |
| 686 | L | 90.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 175.9 | -177.9 | 60.7 | 0 | 0 | 0 | 111 | V645 L671 F674 A675 C678 S682 S688 V689 L690 L748 | V645-L686 VanDerWaalsContact CG1-CA 3.5Å; V645-L686 HydrophobicContact CG1-CB 3.88Å; V645-L686 HydrophobicContact CG1-CD1 4.15Å; L671-L686 HydrophobicContact CD2-CD1 4.44Å; F674-L686 HydrophobicContact CD1-CD1 4.37Å; F674-L686 HydrophobicContact CD1-CD2 4.06Å; A675-L686 HydrophobicContact CB-CD2 3.82Å; C678-L686 HydrophobicContact CB-CD2 4.39Å; S682-L686 WeakPolarHBondContact O-CB 3.31Å; S682-L686 PolarHBondContact O-N 3.45Å; L686-S688 VanDerWaalsContact C-N 3.26Å; L686-S688 PolarHBondContact O-N 3.37Å; L686-V689 WeakPolarHBondContact O-CB 3.45Å; L686-V689 PolarHBondContact O-N 3.23Å; L686-L690 HydrophobicContact CG-CD1 4.36Å; L686-L690 WeakPolarHBondContact O-CG 3.25Å; L686-L690 PolarHBondContact O-N 3.38Å; L686-L748 HydrophobicContact CD2-CD1 4.21Å; L686-L748 HydrophobicContact CD2-CD2 4.3Å |
| 687 | C | 90.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.8 | -33 | 175.8 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | S683 F684 A685 L690 A691 L763 L766 I767 I770 | S683-C687 WeakPolarHBondContact O-CB 3.35Å; S683-C687 PolarHBondContact O-N 3.46Å; S683-C687 PolarHBondContact O-SG 2.74Å; F684-C687 PolarHBondContact O-N 2.85Å; A685-C687 PolarHBondContact O-N 3.42Å; C687-L690 PolarHBondContact O-N 3.19Å; C687-A691 WeakPolarHBondContact O-CB 3.43Å; C687-A691 PolarHBondContact O-N 2.81Å; C687-L763 HydrophobicContact CB-CD1 3.61Å; C687-L763 WeakPolarHBondContact SG-CD1 3.39Å; C687-L766 HydrophobicContact CB-CD2 3.73Å; C687-L766 HydrophobicContact CB-CG 4.2Å; C687-I767 VanDerWaalsContact SG-CG1 3.58Å; C687-I770 HydrophobicContact CB-CD1 4.48Å |
| 688 | S | 89.2 | Confident | 84.2 | Confident | 13 Ų | 13 | 25.8 Ų | 25.8 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 174.7 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | F684 A685 L686 L690 A691 H692 | F684-S688 WeakPolarHBondContact CE1-OG 3.24Å; F684-S688 WeakPolarHBondContact O-CB 3.12Å; F684-S688 PolarHBondContact O-N 2.89Å; F684-S688 PolarHBondContact O-OG 3.19Å; A685-S688 WeakPolarHBondContact O-CB 3.2Å; A685-S688 PolarHBondContact O-N 3.14Å; A685-S688 VanDerWaalsContact O-N 3.11Å; L686-S688 VanDerWaalsContact C-N 3.26Å; L686-S688 PolarHBondContact O-N 3.37Å; S688-L690 PolarHBondContact O-N 3.23Å; S688-A691 PolarHBondContact O-N 3.44Å; S688-H692 PolarHBondContact O-N 2.94Å; S688-H692 PolarHBondContact O-ND1 2.79Å |
| 689 | V | 92.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.3 | -51.8 | 171.5 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | V645 M648 A649 T652 L671 A685 L686 A691 H692 L693 | V645-V689 HydrophobicContact CG1-CG2 4.39Å; M648-V689 HydrophobicContact CB-CG2 3.74Å; A649-V689 HydrophobicContact CB-CG2 4.01Å; A649-V689 VanDerWaalsContact N-CG2 3.35Å; T652-V689 HydrophobicContact CG2-CG1 4.17Å; T652-V689 HydrophobicContact CG2-CG2 4.46Å; L671-V689 HydrophobicContact CD1-CG1 4.22Å; A685-V689 WeakPolarHBondContact O-CG2 3.39Å; A685-V689 PolarHBondContact O-N 3.25Å; L686-V689 WeakPolarHBondContact O-CB 3.45Å; L686-V689 PolarHBondContact O-N 3.23Å; V689-A691 VanDerWaalsContact C-N 3.32Å; V689-A691 PolarHBondContact O-N 3.43Å; V689-H692 PolarHBondContact O-N 3.28Å; V689-L693 HydrophobicContact CG1-CD1 3.84Å; V689-L693 HydrophobicContact CG1-CG 4.29Å; V689-L693 WeakPolarHBondContact O-CB 3.3Å; V689-L693 VanDerWaalsContact O-CG 3.26Å; V689-L693 WeakPolarHBondContact O-CG 3.36Å; V689-L693 PolarHBondContact O-N 3.32Å |
| 690 | L | 94.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -38.4 | -179.7 | -65.1 | 179.3 | 0 | 0 | 0 | 112.3 | L672 L686 C687 S688 L693 T694 L741 L745 L748 I770 | L672-L690 HydrophobicContact CD2-CD2 4.07Å; L686-L690 HydrophobicContact CG-CD1 4.36Å; L686-L690 WeakPolarHBondContact O-CG 3.25Å; L686-L690 PolarHBondContact O-N 3.38Å; C687-L690 PolarHBondContact O-N 3.19Å; S688-L690 PolarHBondContact O-N 3.23Å; L690-L693 PolarHBondContact O-N 3.04Å; L690-T694 WeakPolarHBondContact O-CB 3.06Å; L690-T694 WeakPolarHBondContact O-CG2 3.2Å; L690-T694 PolarHBondContact O-N 3.26Å; L690-T694 PolarHBondContact O-OG1 3.04Å; L690-L741 HydrophobicContact CD1-CD1 3.84Å; L690-L741 HydrophobicContact CD2-CD1 3.81Å; L690-L741 HydrophobicContact CG-CD1 4.26Å; L690-L745 HydrophobicContact CD1-CD2 4.31Å; L690-L748 HydrophobicContact CD1-CD1 4.47Å; L690-I770 HydrophobicContact CB-CD1 3.92Å |
| 691 | A | 92 | Very high | 82.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C687 S688 V689 T694 N695 S696 F697 L766 I770 | C687-A691 WeakPolarHBondContact O-CB 3.43Å; C687-A691 PolarHBondContact O-N 2.81Å; S688-A691 PolarHBondContact O-N 3.44Å; V689-A691 VanDerWaalsContact C-N 3.32Å; V689-A691 PolarHBondContact O-N 3.43Å; A691-T694 WeakPolarHBondContact CA-OG1 3.36Å; A691-T694 PolarHBondContact O-OG1 3.26Å; A691-N695 WeakPolarHBondContact O-CA 3Å; A691-N695 PolarHBondContact O-N 3.24Å; A691-S696 PolarHBondContact O-N 3.15Å; A691-F697 HydrophobicContact CB-CD2 4.27Å; A691-F697 HydrophobicContact CB-CE2 3.49Å; A691-F697 VanDerWaalsContact CB-CE2 3.49Å; A691-F697 HydrophobicContact CB-CZ 3.78Å; A691-L766 HydrophobicContact CB-CD1 3.46Å; A691-L766 VanDerWaalsContact CB-CD1 3.46Å; A691-L766 HydrophobicContact CB-CD2 4.44Å; A691-L766 HydrophobicContact CB-CG 4.01Å; A691-I770 HydrophobicContact CB-CD1 4.1Å; A691-I770 HydrophobicContact CB-CG1 3.96Å |
| 692 | H | 92 | Very high | 82.5 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 172.4 | -67.3 | 141 | 0 | 0 | 0 | 111.5 | A649 T652 S688 V689 T694 N695 F697 | A649-H692 PolarHBondContact O-CE1 3.32Å; A649-H692 PolarHBondContact O-ND1 2.82Å; T652-H692 PolarHBondContact OG1-ND1 3.23Å; S688-H692 PolarHBondContact O-N 2.94Å; S688-H692 PolarHBondContact O-ND1 2.79Å; V689-H692 PolarHBondContact O-N 3.28Å; H692-T694 PolarHBondContact O-N 3.08Å; H692-N695 PolarHBondContact O-N 3Å; H692-N695 VanDerWaalsContact O-N 3.11Å; H692-N695 PolarHBondContact O-OD1 3.4Å; H692-N695 VanDerWaalsContact O-OD1 3.08Å; H692-F697 AromaticContact CD2-CD2 3.69Å; H692-F697 AromaticContact CD2-CE2 3.16Å; H692-F697 WeakPolarHBondContact CD2-CE2 3.42Å; H692-F697 AromaticContact CG-CE2 3.96Å; H692-F697 AromaticContact NE2-CE2 3.42Å; H692-F697 WeakPolarHBondContact NE2-CE2 3.28Å; H692-F697 AromaticContact NE2-CZ 3.84Å |
| 693 | L | 93.7 | Very high | 82.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -31.1 | 179.9 | -69.1 | 176.8 | 0 | 0 | 0 | 112.9 | K658 I661 I662 V689 L690 R732 L736 | K658-L693 HydrophobicContact CB-CD2 4.07Å; K658-L693 HydrophobicContact CG-CD2 4.32Å; I661-L693 HydrophobicContact CB-CD2 4.08Å; I661-L693 HydrophobicContact CD1-CD2 4.12Å; I661-L693 HydrophobicContact CG2-CD1 3.97Å; I661-L693 HydrophobicContact CG2-CD2 3.94Å; I662-L693 HydrophobicContact CD1-CD2 4.48Å; I662-L693 HydrophobicContact CG1-CD2 4.34Å; V689-L693 HydrophobicContact CG1-CD1 3.84Å; V689-L693 HydrophobicContact CG1-CG 4.29Å; V689-L693 WeakPolarHBondContact O-CB 3.3Å; V689-L693 VanDerWaalsContact O-CG 3.26Å; V689-L693 WeakPolarHBondContact O-CG 3.36Å; V689-L693 PolarHBondContact O-N 3.32Å; L690-L693 PolarHBondContact O-N 3.04Å; L693-R732 PolarHBondContact O-NH1 3.34Å; L693-L736 HydrophobicContact CB-CD1 3.95Å |
| 694 | T | 92.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.1 | 176.8 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | L690 A691 H692 S696 R733 L736 L741 I770 | L690-T694 WeakPolarHBondContact O-CB 3.06Å; L690-T694 WeakPolarHBondContact O-CG2 3.2Å; L690-T694 PolarHBondContact O-N 3.26Å; L690-T694 PolarHBondContact O-OG1 3.04Å; A691-T694 WeakPolarHBondContact CA-OG1 3.36Å; A691-T694 PolarHBondContact O-OG1 3.26Å; H692-T694 PolarHBondContact O-N 3.08Å; T694-S696 VanDerWaalsContact C-N 3.33Å; T694-S696 PolarHBondContact O-N 3.5Å; T694-S696 PolarHBondContact OG1-OG 2.72Å; T694-R733 HydrophobicContact CG2-CG 4.38Å; T694-R733 PolarHBondContact O-NE 3.08Å; T694-R733 PolarHBondContact O-NH2 2.99Å; T694-R733 VanDerWaalsContact O-NH2 3.17Å; T694-L736 HydrophobicContact CG2-CD1 3.65Å; T694-L741 HydrophobicContact CG2-CD2 3.8Å; T694-I770 HydrophobicContact CG2-CG2 4.28Å |
| 695 | N | 91.2 | Very high | 81.1 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 56.1 | -172.1 | -69.2 | 61.1 | 0 | 0 | 0 | 111.6 | A691 H692 D724 I729 R732 R733 | A691-N695 WeakPolarHBondContact O-CA 3Å; A691-N695 PolarHBondContact O-N 3.24Å; H692-N695 PolarHBondContact O-N 3Å; H692-N695 VanDerWaalsContact O-N 3.11Å; H692-N695 PolarHBondContact O-OD1 3.4Å; H692-N695 VanDerWaalsContact O-OD1 3.08Å; N695-D724 PolarHBondContact ND2-OD1 2.99Å; N695-D724 PolarHBondContact OD1-OD1 3.26Å; N695-I729 HydrophobicContact CB-CD1 3.83Å; N695-I729 HydrophobicContact CB-CG1 4.11Å; N695-I729 HydrophobicContact CB-CG2 4.27Å; N695-R732 PolarHBondContact OD1-NH1 3.42Å; N695-R732 PolarHBondContact OD1-NH2 2.92Å; N695-R732 VanDerWaalsContact OD1-NH2 3.12Å; N695-R733 PolarHBondContact O-NH2 3.29Å |
| 696 | S | 88.3 | Confident | 80.4 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | trans | -90.4 | -5.5 | -177.3 | -64.7 | 0 | 0 | 0 | 0 | 114 | A691 T694 I770 A773 | A691-S696 PolarHBondContact O-N 3.15Å; T694-S696 VanDerWaalsContact C-N 3.33Å; T694-S696 PolarHBondContact O-N 3.5Å; T694-S696 PolarHBondContact OG1-OG 2.72Å; S696-I770 WeakPolarHBondContact OG-CA 3.28Å; S696-A773 VanDerWaalsContact OG-CB 3.22Å; S696-A773 WeakPolarHBondContact OG-CB 3.49Å | ||
| 697 | F | 83.4 | Confident | 79.4 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 37% | 0.368 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -74.3 | 147.4 | 174 | -64.7 | -81.9 | 0 | 0 | 0 | 110.3 | A691 H692 R699 L766 | A691-F697 HydrophobicContact CB-CD2 4.27Å; A691-F697 HydrophobicContact CB-CE2 3.49Å; A691-F697 VanDerWaalsContact CB-CE2 3.49Å; A691-F697 HydrophobicContact CB-CZ 3.78Å; H692-F697 AromaticContact CD2-CD2 3.69Å; H692-F697 AromaticContact CD2-CE2 3.16Å; H692-F697 WeakPolarHBondContact CD2-CE2 3.42Å; H692-F697 AromaticContact CG-CE2 3.96Å; H692-F697 AromaticContact NE2-CE2 3.42Å; H692-F697 WeakPolarHBondContact NE2-CE2 3.28Å; H692-F697 AromaticContact NE2-CZ 3.84Å; F697-R699 PolarHBondContact O-N 2.89Å; F697-L766 HydrophobicContact CE1-CD1 3.88Å; F697-L766 HydrophobicContact CZ-CD1 3.87Å |
| 698 | E | 68 | Low | 78.7 | Confident | 166 Ų | 166 | 73 Ų | 73 | 78% | 0.776 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 122.9 | 176.9 | -173 | 169.6 | -162.9 | 0 | 0 | 109.7 | Q700 | E698-Q700 PolarHBondContact O-N 3.24Š|
| 699 | R | 65.9 | Low | 78.1 | Confident | 121 Ų | 121 | 77.9 Ų | 77.9 | 46% | 0.457 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 121.1 | 169 | -70.8 | -176.3 | 175.8 | 161.6 | -2.5 | 106.9 | F697 Q701 D724 D726 | F697-R699 PolarHBondContact O-N 2.89Å; R699-Q701 PolarHBondContact O-N 3.07Å; R699-D724 PolarHBondContact NH2-O 3.17Å; R699-D726 IonicContact CZ-OD1 3.13Å; R699-D726 IonicContact NH1-OD1 3.52Å; R699-D726 PolarHBondContact NH1-OD1 3.45Å; R699-D726 IonicContact NH1-OD2 2.7Å; R699-D726 IonicContact NH2-OD1 2.69Å; R699-D726 PolarHBondContact NH2-OD1 3.46Å |
| 700 | Q | 59.2 | Low | 77.1 | Confident | 183 Ų | 183 | 78.7 Ų | 78.7 | 86% | 0.855 | 38% | 0.383 | S | S | * | . | trans | -62.7 | 103.7 | 168.5 | -69.3 | -178.4 | -7.5 | 0 | 0 | 107.3 | E698 I702 | E698-Q700 PolarHBondContact O-N 3.24Å; Q700-I702 PolarHBondContact O-N 3.48Å | ||
| 701 | Q | 54.8 | Low | 76.2 | Confident | 182 Ų | 182 | 84.9 Ų | 84.9 | 85% | 0.85 | 41% | 0.41 | S | S | * | . | trans | -67.4 | 108.1 | 172 | -69.1 | -177 | -0.2 | 0 | 0 | 106.6 | R699 E703 | R699-Q701 PolarHBondContact O-N 3.07Å; Q701-E703 PolarHBondContact O-N 3.36Å | ||
| 702 | I | 63.3 | Low | 75.7 | Confident | 79 Ų | 79 | 93.7 Ų | 93.7 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | trans | -71.1 | 112.1 | 172.2 | -56.5 | 173 | 0 | 0 | 0 | 105.6 | Q700 I706 L707 | Q700-I702 PolarHBondContact O-N 3.48Å; I702-I706 HydrophobicContact CG2-CB 4.08Å; I702-I706 HydrophobicContact CG2-CG2 4.03Å; I702-L707 HydrophobicContact CB-CD1 4.48Å; I702-L707 HydrophobicContact CG2-CB 4.06Å; I702-L707 HydrophobicContact CG2-CD1 4.05Å | ||
| 703 | E | 69.7 | Low | 75.1 | Confident | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | trans | -55.4 | 141.5 | 176.1 | -69 | -162.4 | 161.7 | 0 | 0 | 110.1 | Q701 E705 I706 L707 | Q701-E703 PolarHBondContact O-N 3.36Å; E703-E705 PolarHBondContact O-N 3.34Å; E703-E705 VanDerWaalsContact O-N 3.11Å; E703-I706 HydrophobicContact CB-CD1 4.15Å; E703-I706 HydrophobicContact CB-CG1 4.23Å; E703-I706 PolarHBondContact O-N 3.34Å; E703-L707 PolarHBondContact O-N 3.32Å | ||
| 704 | P | 70.9 | Confident | 74 | Confident | 95 Ų | 95 | 104.2 Ų | 104.2 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.3 | -32.6 | -176.8 | 19.6 | -30.4 | 0 | 0 | 0 | 112.4 | L707 E708 | P704-L707 WeakPolarHBondContact O-CB 3.41Å; P704-L707 PolarHBondContact O-N 3.33Å; P704-E708 WeakPolarHBondContact O-CB 3.39Å; P704-E708 WeakPolarHBondContact O-CG 3.31Å; P704-E708 PolarHBondContact O-N 3.43Å |
| 705 | E | 76.5 | Confident | 72.4 | Confident | 139 Ų | 139 | 110.7 Ų | 110.7 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | 175.2 | -59.6 | -178 | -177.2 | 0 | 0 | 112.4 | E703 L707 E708 L709 | E703-E705 PolarHBondContact O-N 3.34Å; E703-E705 VanDerWaalsContact O-N 3.11Å; E705-L707 VanDerWaalsContact C-N 3.35Å; E705-E708 PolarHBondContact O-N 2.64Å; E705-L709 WeakPolarHBondContact O-CB 3.24Å; E705-L709 VanDerWaalsContact O-CG 3.28Å; E705-L709 WeakPolarHBondContact O-CG 3.17Å; E705-L709 PolarHBondContact O-N 3.4Å |
| 706 | I | 68.7 | Low | 70.6 | Confident | 93 Ų | 93 | 116.8 Ų | 116.8 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69 | -37.4 | 175.9 | -59.5 | 173.3 | 0 | 0 | 0 | 110.1 | I702 E703 L709 A710 | I702-I706 HydrophobicContact CG2-CB 4.08Å; I702-I706 HydrophobicContact CG2-CG2 4.03Å; E703-I706 HydrophobicContact CB-CD1 4.15Å; E703-I706 HydrophobicContact CB-CG1 4.23Å; E703-I706 PolarHBondContact O-N 3.34Å; I706-L709 PolarHBondContact O-N 3.37Å; I706-A710 VanDerWaalsContact O-CB 3.31Å; I706-A710 WeakPolarHBondContact O-CB 3.06Å; I706-A710 PolarHBondContact O-N 3.39Å |
| 707 | L | 70.9 | Confident | 69.1 | Low | 49 Ų | 49 | 118.4 Ų | 118.4 | 26% | 0.257 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.9 | -43.2 | 175.3 | -164.5 | 89.1 | 0 | 0 | 0 | 111.1 | I702 E703 P704 E705 A710 K711 I717 | I702-L707 HydrophobicContact CB-CD1 4.48Å; I702-L707 HydrophobicContact CG2-CB 4.06Å; I702-L707 HydrophobicContact CG2-CD1 4.05Å; E703-L707 PolarHBondContact O-N 3.32Å; P704-L707 WeakPolarHBondContact O-CB 3.41Å; P704-L707 PolarHBondContact O-N 3.33Å; E705-L707 VanDerWaalsContact C-N 3.35Å; L707-A710 PolarHBondContact O-N 2.84Å; L707-K711 VanDerWaalsContact O-CG 3.27Å; L707-K711 WeakPolarHBondContact O-CG 3.24Å; L707-K711 PolarHBondContact O-N 3.17Å; L707-I717 HydrophobicContact CD1-CD1 4.16Å; L707-I717 HydrophobicContact CD1-CG2 3.77Å; L707-I717 HydrophobicContact CG-CD1 4.35Å |
| 708 | E | 76.2 | Confident | 68 | Low | 137 Ų | 137 | 119 Ų | 119 | 64% | 0.64 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.7 | -41.9 | 174.7 | -76.8 | -174.2 | -179.7 | 0 | 0 | 111.8 | P704 E705 K711 F712 | P704-E708 WeakPolarHBondContact O-CB 3.39Å; P704-E708 WeakPolarHBondContact O-CG 3.31Å; P704-E708 PolarHBondContact O-N 3.43Å; E705-E708 PolarHBondContact O-N 2.64Å; E708-K711 PolarHBondContact O-N 3.3Å; E708-F712 WeakPolarHBondContact O-CB 3.36Å; E708-F712 PolarHBondContact O-N 3.34Å |
| 709 | L | 76.4 | Confident | 67.9 | Low | 114 Ų | 114 | 119.1 Ų | 119.1 | 60% | 0.597 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62 | -42.8 | 173.1 | -75.3 | 168.5 | 0 | 0 | 0 | 112 | E705 I706 F712 S713 | E705-L709 WeakPolarHBondContact O-CB 3.24Å; E705-L709 VanDerWaalsContact O-CG 3.28Å; E705-L709 WeakPolarHBondContact O-CG 3.17Å; E705-L709 PolarHBondContact O-N 3.4Å; I706-L709 PolarHBondContact O-N 3.37Å; L709-F712 CarbonylContact O-C 3.51Å; L709-F712 PolarHBondContact O-N 3.49Å; L709-S713 WeakPolarHBondContact O-CB 3.47Å; L709-S713 PolarHBondContact O-N 3Å; L709-S713 PolarHBondContact O-OG 3.28Å; L709-S713 VanDerWaalsContact O-OG 3.11Å |
| 710 | A | 70.3 | Confident | 68 | Low | 18 Ų | 18 | 119.5 Ų | 119.5 | 15% | 0.149 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -64 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I706 L707 S713 K714 Q715 I717 | I706-A710 VanDerWaalsContact O-CB 3.31Å; I706-A710 WeakPolarHBondContact O-CB 3.06Å; I706-A710 PolarHBondContact O-N 3.39Å; L707-A710 PolarHBondContact O-N 2.84Å; A710-S713 WeakPolarHBondContact CA-OG 3.47Å; A710-S713 PolarHBondContact O-N 3.46Å; A710-S713 PolarHBondContact O-OG 3.49Å; A710-K714 PolarHBondContact O-N 3.4Å; A710-K714 VanDerWaalsContact O-N 3.13Å; A710-Q715 PolarHBondContact O-N 2.9Å; A710-I717 HydrophobicContact CB-CG1 4.18Å |
| 711 | K | 77.5 | Confident | 68.9 | Low | 130 Ų | 130 | 114 Ų | 114 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.2 | -44.5 | 171.5 | -73 | 175 | -176.2 | 174.1 | 0 | 111.2 | L707 E708 K714 I717 | L707-K711 VanDerWaalsContact O-CG 3.27Å; L707-K711 WeakPolarHBondContact O-CG 3.24Å; L707-K711 PolarHBondContact O-N 3.17Å; E708-K711 PolarHBondContact O-N 3.3Å; K711-K714 PolarHBondContact O-N 3.39Å; K711-I717 HydrophobicContact CD-CD1 4.34Å; K711-I717 HydrophobicContact CG-CD1 3.55Å |
| 712 | F | 80 | Confident | 70.2 | Confident | 185 Ų | 185 | 109.6 Ų | 109.6 | 81% | 0.811 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -39.9 | 178.5 | -171.6 | -94.2 | 0 | 0 | 0 | 112.2 | E708 L709 K714 | E708-F712 WeakPolarHBondContact O-CB 3.36Å; E708-F712 PolarHBondContact O-N 3.34Å; L709-F712 CarbonylContact O-C 3.51Å; L709-F712 PolarHBondContact O-N 3.49Å; F712-K714 PolarHBondContact O-N 3.09Å |
| 713 | S | 79.4 | Confident | 71.2 | Confident | 60 Ų | 60 | 109.6 Ų | 109.6 | 42% | 0.42 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.3 | 179.1 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | L709 A710 Q715 | L709-S713 WeakPolarHBondContact O-CB 3.47Å; L709-S713 PolarHBondContact O-N 3Å; L709-S713 PolarHBondContact O-OG 3.28Å; L709-S713 VanDerWaalsContact O-OG 3.11Å; A710-S713 WeakPolarHBondContact CA-OG 3.47Å; A710-S713 PolarHBondContact O-N 3.46Å; A710-S713 PolarHBondContact O-OG 3.49Å; S713-Q715 PolarHBondContact O-N 2.98Å; S713-Q715 VanDerWaalsContact O-N 3.11Å; S713-Q715 WeakPolarHBondContact OG-CG 3.49Å |
| 714 | K | 71 | Confident | 72 | Confident | 194 Ų | 194 | 105.3 Ų | 105.3 | 84% | 0.843 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 28.2 | -173.7 | -56.1 | 178.6 | 179.5 | 177.8 | 0 | 113.2 | A710 K711 F712 | A710-K714 PolarHBondContact O-N 3.4Å; A710-K714 VanDerWaalsContact O-N 3.13Å; K711-K714 PolarHBondContact O-N 3.39Å; F712-K714 PolarHBondContact O-N 3.09Å |
| 715 | Q | 58.7 | Low | 72.7 | Confident | 136 Ų | 136 | 103 Ų | 103 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | trans | -77.2 | 139.4 | 172.9 | -76.7 | -175 | 4.1 | 0 | 0 | 108.5 | A710 S713 I717 | A710-Q715 PolarHBondContact O-N 2.9Å; S713-Q715 PolarHBondContact O-N 2.98Å; S713-Q715 VanDerWaalsContact O-N 3.11Å; S713-Q715 WeakPolarHBondContact OG-CG 3.49Å; Q715-I717 PolarHBondContact O-N 3.09Å | ||
| 716 | H | 54.5 | Low | 73.2 | Confident | 159 Ų | 159 | 100.9 Ų | 100.9 | 74% | 0.736 | 51% | 0.507 | S | S | * | . | trans | -63.1 | 113.1 | 177 | -179.1 | 64.8 | 0 | 0 | 0 | 108.8 | P718 | H716-P718 WeakPolarHBondContact O-CD 3.35Š| ||
| 717 | I | 56.3 | Low | 74.2 | Confident | 47 Ų | 47 | 99.2 Ų | 99.2 | 24% | 0.241 | 51% | 0.507 | C | S | . | . | trans | -71 | 124.1 | 170.4 | -57.1 | 168.5 | 0 | 0 | 0 | 105.7 | L707 A710 K711 Q715 E719 | L707-I717 HydrophobicContact CD1-CD1 4.16Å; L707-I717 HydrophobicContact CD1-CG2 3.77Å; L707-I717 HydrophobicContact CG-CD1 4.35Å; A710-I717 HydrophobicContact CB-CG1 4.18Å; K711-I717 HydrophobicContact CD-CD1 4.34Å; K711-I717 HydrophobicContact CG-CD1 3.55Å; Q715-I717 PolarHBondContact O-N 3.09Å; I717-E719 PolarHBondContact O-N 3.18Å | ||
| 718 | P | 60.2 | Low | 75.1 | Confident | 96 Ų | 96 | 101.2 Ų | 101.2 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | trans | -56.6 | 109.3 | 172.1 | -22.2 | 33.5 | 0 | 0 | 0 | 108.9 | H716 | H716-P718 WeakPolarHBondContact O-CD 3.35Š| ||
| 719 | E | 65.4 | Low | 75.8 | Confident | 168 Ų | 168 | 94.8 Ų | 94.8 | 79% | 0.785 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -75 | 131.4 | 170.2 | -70.9 | -177.4 | 177.9 | 0 | 0 | 108.3 | I717 H721 | I717-E719 PolarHBondContact O-N 3.18Å; E719-H721 PolarHBondContact O-N 3.15Å |
| 720 | D | 69.1 | Low | 76.5 | Confident | 130 Ų | 130 | 94.6 Ų | 94.6 | 70% | 0.695 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 131.9 | 173.4 | -78.1 | -32 | 0 | 0 | 0 | 109.4 | ||
| 721 | H | 78.1 | Confident | 77.6 | Confident | 66 Ų | 66 | 100.9 Ų | 100.9 | 31% | 0.306 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 141.5 | 177.3 | -165.4 | -91.2 | 0 | 0 | 0 | 110.5 | A655 D656 E719 Y723 D724 | A655-H721 HydrophobicContact CB-CB 3.71Å; A655-H721 VanDerWaalsContact CB-CG 3.45Å; A655-H721 VanDerWaalsContact CB-ND1 3.28Å; A655-H721 WeakPolarHBondContact CB-ND1 3.23Å; D656-H721 IonicContact OD1-CE1 3.34Å; D656-H721 PolarHBondContact OD1-CE1 3.15Å; D656-H721 IonicContact OD1-NE2 2.97Å; E719-H721 PolarHBondContact O-N 3.15Å; H721-Y723 AromaticContact CE1-CD2 3.41Å; H721-Y723 VanDerWaalsContact CE1-CD2 3.41Å; H721-Y723 WeakPolarHBondContact CE1-CD2 3.25Å; H721-Y723 AromaticContact ND1-CD2 3.7Å; H721-Y723 AromaticContact ND1-CG 4Å; H721-Y723 PolarHBondContact ND1-N 3.19Å; H721-Y723 PolarHBondContact O-N 3.06Å; H721-Y723 VanDerWaalsContact O-N 3.08Å; H721-D724 HydrophobicContact CB-CB 4.41Å; H721-D724 WeakPolarHBondContact O-CA 3.35Å; H721-D724 PolarHBondContact O-N 3.35Å |
| 722 | P | 81.3 | Confident | 78.4 | Confident | 90 Ų | 90 | 94.8 Ų | 94.8 | 58% | 0.584 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -50.5 | -40 | -179.5 | -30.2 | 34.9 | 0 | 0 | 0 | 114.4 | D724 S725 | P722-D724 VanDerWaalsContact C-N 3.3Å; P722-D724 PolarHBondContact O-N 3.29Å; P722-S725 WeakPolarHBondContact O-CB 3.48Å; P722-S725 PolarHBondContact O-N 3.45Å; P722-S725 PolarHBondContact O-OG 2.97Å |
| 723 | Y | 84.9 | Confident | 79.1 | Confident | 80 Ų | 80 | 86.9 Ų | 86.9 | 31% | 0.314 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -73.9 | -11.7 | 177.6 | -62.6 | -45.9 | 0 | 0 | 0 | 115.2 | D656 E659 H721 Y728 R732 | D656-Y723 WeakPolarHBondContact OD1-CD2 3.4Å; D656-Y723 VanDerWaalsContact OD1-CE2 3.3Å; D656-Y723 WeakPolarHBondContact OD1-CE2 3.46Å; E659-Y723 HydrophobicContact CB-CD2 4.23Å; E659-Y723 HydrophobicContact CB-CG 4.25Å; E659-Y723 HydrophobicContact CG-CD1 4.15Å; E659-Y723 HydrophobicContact CG-CE1 4.2Å; E659-Y723 HydrophobicContact CG-CG 4.4Å; H721-Y723 AromaticContact CE1-CD2 3.41Å; H721-Y723 VanDerWaalsContact CE1-CD2 3.41Å; H721-Y723 WeakPolarHBondContact CE1-CD2 3.25Å; H721-Y723 AromaticContact ND1-CD2 3.7Å; H721-Y723 AromaticContact ND1-CG 4Å; H721-Y723 PolarHBondContact ND1-N 3.19Å; H721-Y723 PolarHBondContact O-N 3.06Å; H721-Y723 VanDerWaalsContact O-N 3.08Å; Y723-Y728 AromaticContact CD1-CD1 3.81Å; Y723-Y728 HydrophobicContact CD1-CD1 3.81Å; Y723-Y728 AromaticContact CD1-CE1 3.59Å; Y723-Y728 HydrophobicContact CD1-CE1 3.59Å; Y723-Y728 HydrophobicContact CD1-CG 4.44Å; Y723-Y728 AromaticContact CE1-CE1 3.87Å; Y723-Y728 HydrophobicContact CE1-CE1 3.87Å; Y723-Y728 VanDerWaalsContact O-CB 3.27Å; Y723-Y728 WeakPolarHBondContact O-CB 3.21Å; Y723-R732 PolarHBondContact O-NH2 3.4Å |
| 724 | D | 85.8 | Confident | 79.8 | Confident | 25 Ų | 25 | 86.3 Ų | 86.3 | 13% | 0.134 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -99.8 | 11.3 | 174.7 | -80.9 | -32 | 0 | 0 | 0 | 112.9 | A655 K658 N695 R699 H721 P722 I729 R732 | A655-D724 WeakPolarHBondContact CB-OD2 3.35Å; K658-D724 IonicContact NZ-OD1 2.69Å; K658-D724 PolarHBondContact NZ-OD1 3.37Å; K658-D724 IonicContact NZ-OD2 3.03Å; K658-D724 PolarHBondContact NZ-OD2 2.94Å; N695-D724 PolarHBondContact ND2-OD1 2.99Å; N695-D724 PolarHBondContact OD1-OD1 3.26Å; R699-D724 PolarHBondContact NH2-O 3.17Å; H721-D724 HydrophobicContact CB-CB 4.41Å; H721-D724 WeakPolarHBondContact O-CA 3.35Å; H721-D724 PolarHBondContact O-N 3.35Å; P722-D724 VanDerWaalsContact C-N 3.3Å; P722-D724 PolarHBondContact O-N 3.29Å; D724-I729 WeakPolarHBondContact O-CD1 3.46Å; D724-R732 IonicContact OD1-CZ 3.93Å; D724-R732 IonicContact OD1-NH2 3.45Å; D724-R732 PolarHBondContact OD1-NH2 2.78Å |
| 725 | S | 86.7 | Confident | 80.9 | Confident | 47 Ų | 47 | 80.7 Ų | 80.7 | 33% | 0.329 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -67.3 | 154.3 | 167.5 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | P722 A727 Y728 I729 | P722-S725 WeakPolarHBondContact O-CB 3.48Å; P722-S725 PolarHBondContact O-N 3.45Å; P722-S725 PolarHBondContact O-OG 2.97Å; S725-A727 VanDerWaalsContact C-N 3.26Å; S725-A727 PolarHBondContact O-N 3.48Å; S725-Y728 PolarHBondContact O-N 2.9Å; S725-Y728 VanDerWaalsContact O-N 3.07Å; S725-Y728 VanDerWaalsContact OG-CD2 3.32Å; S725-Y728 WeakPolarHBondContact OG-CD2 3.23Å; S725-I729 WeakPolarHBondContact O-CG1 3.39Å; S725-I729 PolarHBondContact O-N 3.47Å |
| 726 | D | 86.5 | Confident | 82.6 | Confident | 95 Ų | 95 | 74.2 Ų | 74.2 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.2 | -37 | -174.9 | -68.1 | -19.5 | 0 | 0 | 0 | 113.2 | R699 I729 Q730 | R699-D726 IonicContact CZ-OD1 3.13Å; R699-D726 IonicContact NH1-OD1 3.52Å; R699-D726 PolarHBondContact NH1-OD1 3.45Å; R699-D726 IonicContact NH1-OD2 2.7Å; R699-D726 IonicContact NH2-OD1 2.69Å; R699-D726 PolarHBondContact NH2-OD1 3.46Å; D726-I729 PolarHBondContact O-N 3.01Å; D726-Q730 WeakPolarHBondContact O-CB 3.29Å; D726-Q730 VanDerWaalsContact O-CG 3.26Å; D726-Q730 WeakPolarHBondContact O-CG 3.2Å; D726-Q730 PolarHBondContact O-N 3.14Å |
| 727 | A | 88.3 | Confident | 84.5 | Confident | 57 Ų | 57 | 67 Ų | 67 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S725 K731 | S725-A727 VanDerWaalsContact C-N 3.26Å; S725-A727 PolarHBondContact O-N 3.48Å; A727-K731 WeakPolarHBondContact O-CG 3.43Å; A727-K731 PolarHBondContact O-N 3.04Å |
| 728 | Y | 90.3 | Very high | 86.3 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.8 | -41.2 | 176.1 | -84.2 | -93.2 | 0 | 0 | 0 | 111.2 | Y723 S725 Q730 K731 R732 | Y723-Y728 AromaticContact CD1-CD1 3.81Å; Y723-Y728 HydrophobicContact CD1-CD1 3.81Å; Y723-Y728 AromaticContact CD1-CE1 3.59Å; Y723-Y728 HydrophobicContact CD1-CE1 3.59Å; Y723-Y728 HydrophobicContact CD1-CG 4.44Å; Y723-Y728 AromaticContact CE1-CE1 3.87Å; Y723-Y728 HydrophobicContact CE1-CE1 3.87Å; Y723-Y728 VanDerWaalsContact O-CB 3.27Å; Y723-Y728 WeakPolarHBondContact O-CB 3.21Å; S725-Y728 PolarHBondContact O-N 2.9Å; S725-Y728 VanDerWaalsContact O-N 3.07Å; S725-Y728 VanDerWaalsContact OG-CD2 3.32Å; S725-Y728 WeakPolarHBondContact OG-CD2 3.23Å; Y728-Q730 PolarHBondContact O-N 3.23Å; Y728-K731 PolarHBondContact O-N 2.82Å; Y728-R732 WeakPolarHBondContact O-CB 3.45Å; Y728-R732 WeakPolarHBondContact O-CG 3.25Å; Y728-R732 PolarHBondContact O-N 2.75Å |
| 729 | I | 90.7 | Very high | 87.8 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.3 | -70.9 | 166.9 | 0 | 0 | 0 | 111.2 | N695 D724 S725 D726 K731 R732 R733 | N695-I729 HydrophobicContact CB-CD1 3.83Å; N695-I729 HydrophobicContact CB-CG1 4.11Å; N695-I729 HydrophobicContact CB-CG2 4.27Å; D724-I729 WeakPolarHBondContact O-CD1 3.46Å; S725-I729 WeakPolarHBondContact O-CG1 3.39Å; S725-I729 PolarHBondContact O-N 3.47Å; D726-I729 PolarHBondContact O-N 3.01Å; I729-K731 VanDerWaalsContact C-N 3.35Å; I729-K731 PolarHBondContact O-N 3.05Å; I729-R732 PolarHBondContact O-N 3.48Å; I729-R733 HydrophobicContact CG2-CG 4.27Å; I729-R733 VanDerWaalsContact CG2-NE 3.35Å; I729-R733 WeakPolarHBondContact O-CB 3.44Å; I729-R733 VanDerWaalsContact O-CG 3.31Å; I729-R733 WeakPolarHBondContact O-CG 3.32Å; I729-R733 PolarHBondContact O-N 3.09Å |
| 730 | Q | 92.3 | Very high | 89.1 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 177.3 | -74.1 | 179.1 | 5.4 | 0 | 0 | 111.5 | D726 Y728 R733 Q734 L777 | D726-Q730 WeakPolarHBondContact O-CB 3.29Å; D726-Q730 VanDerWaalsContact O-CG 3.26Å; D726-Q730 WeakPolarHBondContact O-CG 3.2Å; D726-Q730 PolarHBondContact O-N 3.14Å; Y728-Q730 PolarHBondContact O-N 3.23Å; Q730-R733 PolarHBondContact O-N 3.42Å; Q730-Q734 VanDerWaalsContact O-CB 3.3Å; Q730-Q734 WeakPolarHBondContact O-CB 3.45Å; Q730-Q734 PolarHBondContact O-N 3.37Å; Q730-L777 HydrophobicContact CB-CD2 3.92Å; Q730-L777 HydrophobicContact CG-CD2 3.89Å |
| 731 | K | 92.8 | Very high | 90.3 | Very high | 150 Ų | 150 | 54.1 Ų | 54.1 | 65% | 0.652 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.6 | -43.5 | 175.5 | -74.3 | 176.8 | -178.8 | 177.7 | 0 | 112.5 | A727 Y728 I729 Q734 K735 | A727-K731 WeakPolarHBondContact O-CG 3.43Å; A727-K731 PolarHBondContact O-N 3.04Å; Y728-K731 PolarHBondContact O-N 2.82Å; I729-K731 VanDerWaalsContact C-N 3.35Å; I729-K731 PolarHBondContact O-N 3.05Å; K731-Q734 PolarHBondContact O-N 3.03Å; K731-K735 WeakPolarHBondContact O-CB 3.44Å; K731-K735 PolarHBondContact O-N 3.41Å |
| 732 | R | 94.2 | Very high | 91 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 176.6 | -75.9 | -164.9 | -83.9 | 140.2 | -11.5 | 111.5 | E659 I662 L693 N695 Y723 D724 Y728 I729 Q734 K735 L736 | E659-R732 VanDerWaalsContact OE2-CD 3.29Å; E659-R732 WeakPolarHBondContact OE2-CD 3.33Å; E659-R732 IonicContact OE2-NE 2.88Å; I662-R732 HydrophobicContact CB-CG 4.42Å; I662-R732 HydrophobicContact CD1-CB 4.46Å; I662-R732 HydrophobicContact CG1-CB 4.39Å; I662-R732 HydrophobicContact CG1-CG 3.97Å; I662-R732 HydrophobicContact CG2-CG 4.18Å; L693-R732 PolarHBondContact O-NH1 3.34Å; N695-R732 PolarHBondContact OD1-NH1 3.42Å; N695-R732 PolarHBondContact OD1-NH2 2.92Å; N695-R732 VanDerWaalsContact OD1-NH2 3.12Å; Y723-R732 PolarHBondContact O-NH2 3.4Å; D724-R732 IonicContact OD1-CZ 3.93Å; D724-R732 IonicContact OD1-NH2 3.45Å; D724-R732 PolarHBondContact OD1-NH2 2.78Å; Y728-R732 WeakPolarHBondContact O-CB 3.45Å; Y728-R732 WeakPolarHBondContact O-CG 3.25Å; Y728-R732 PolarHBondContact O-N 2.75Å; I729-R732 PolarHBondContact O-N 3.48Å; R732-Q734 VanDerWaalsContact C-N 3.34Å; R732-Q734 PolarHBondContact O-N 3.2Å; R732-K735 PolarHBondContact O-N 2.65Å; R732-L736 WeakPolarHBondContact O-CG 3.34Å; R732-L736 PolarHBondContact O-N 3.02Å |
| 733 | R | 94.7 | Very high | 91.6 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 176.1 | -73.1 | 176 | -177.6 | 174.1 | 7.1 | 111.4 | T694 N695 I729 Q730 K735 L736 I737 A773 E776 L777 | T694-R733 HydrophobicContact CG2-CG 4.38Å; T694-R733 PolarHBondContact O-NE 3.08Å; T694-R733 PolarHBondContact O-NH2 2.99Å; T694-R733 VanDerWaalsContact O-NH2 3.17Å; N695-R733 PolarHBondContact O-NH2 3.29Å; I729-R733 HydrophobicContact CG2-CG 4.27Å; I729-R733 VanDerWaalsContact CG2-NE 3.35Å; I729-R733 WeakPolarHBondContact O-CB 3.44Å; I729-R733 VanDerWaalsContact O-CG 3.31Å; I729-R733 WeakPolarHBondContact O-CG 3.32Å; I729-R733 PolarHBondContact O-N 3.09Å; Q730-R733 PolarHBondContact O-N 3.42Å; R733-K735 PolarHBondContact O-N 3.34Å; R733-L736 PolarHBondContact O-N 2.79Å; R733-I737 VanDerWaalsContact O-CG1 3.24Å; R733-I737 WeakPolarHBondContact O-CG1 2.94Å; R733-I737 PolarHBondContact O-N 3.23Å; R733-A773 PolarHBondContact NH1-O 3.33Å; R733-E776 IonicContact CZ-OE2 3.4Å; R733-E776 IonicContact NH1-OE2 2.78Å; R733-E776 PolarHBondContact NH1-OE2 2.86Å; R733-E776 IonicContact NH2-OE2 3.53Å; R733-L777 HydrophobicContact CB-CD1 3.48Å; R733-L777 VanDerWaalsContact CB-CD1 3.48Å; R733-L777 HydrophobicContact CB-CG 4.37Å |
| 734 | Q | 94.4 | Very high | 91.9 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.8 | -175.8 | 68.4 | 21.2 | 0 | 0 | 111.4 | Q730 K731 R732 I737 N738 L777 C780 | Q730-Q734 VanDerWaalsContact O-CB 3.3Å; Q730-Q734 WeakPolarHBondContact O-CB 3.45Å; Q730-Q734 PolarHBondContact O-N 3.37Å; K731-Q734 PolarHBondContact O-N 3.03Å; R732-Q734 VanDerWaalsContact C-N 3.34Å; R732-Q734 PolarHBondContact O-N 3.2Å; Q734-I737 PolarHBondContact O-N 3.17Å; Q734-N738 WeakPolarHBondContact O-CB 3.26Å; Q734-N738 PolarHBondContact O-N 3.04Å; Q734-N738 PolarHBondContact O-ND2 3.05Å; Q734-N738 VanDerWaalsContact O-ND2 3.14Å; Q734-L777 HydrophobicContact CB-CD1 4.16Å; Q734-C780 PolarHBondContact NE2-SG 2.84Å; Q734-C780 PolarHBondContact OE1-SG 3.45Å |
| 735 | K | 93.9 | Very high | 92.2 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 33% | 0.326 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 179.4 | -169.5 | 166 | 174.2 | -167 | 0 | 111.5 | I662 K731 R732 R733 I737 N738 M739 | I662-K735 HydrophobicContact CG2-CB 4.48Å; I662-K735 HydrophobicContact CG2-CD 3.66Å; I662-K735 HydrophobicContact CG2-CG 4.37Å; I662-K735 WeakPolarHBondContact O-CE 3.46Å; I662-K735 PolarHBondContact O-NZ 3.48Å; K731-K735 WeakPolarHBondContact O-CB 3.44Å; K731-K735 PolarHBondContact O-N 3.41Å; R732-K735 PolarHBondContact O-N 2.65Å; R733-K735 PolarHBondContact O-N 3.34Å; K735-I737 PolarHBondContact O-N 3.41Å; K735-N738 PolarHBondContact O-N 3.2Å; K735-M739 HydrophobicContact CG-SD 4.12Å; K735-M739 VanDerWaalsContact O-CG 3.25Å; K735-M739 WeakPolarHBondContact O-CG 3.36Å; K735-M739 PolarHBondContact O-N 3.46Å |
| 736 | L | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 177 | -72.5 | 169.6 | 0 | 0 | 0 | 112.9 | I662 V668 L693 T694 R732 R733 N738 M739 G740 L741 | I662-L736 HydrophobicContact CD1-CD1 3.85Å; I662-L736 HydrophobicContact CD1-CD2 3.48Å; I662-L736 VanDerWaalsContact CD1-CD2 3.48Å; I662-L736 HydrophobicContact CD1-CG 3.5Å; V668-L736 HydrophobicContact CG1-CD2 3.82Å; L693-L736 HydrophobicContact CB-CD1 3.95Å; T694-L736 HydrophobicContact CG2-CD1 3.65Å; R732-L736 WeakPolarHBondContact O-CG 3.34Å; R732-L736 PolarHBondContact O-N 3.02Å; R733-L736 PolarHBondContact O-N 2.79Å; L736-N738 VanDerWaalsContact C-N 3.31Å; L736-N738 PolarHBondContact O-N 2.9Å; L736-M739 PolarHBondContact O-N 3.38Å; L736-M739 VanDerWaalsContact O-N 3.17Å; L736-G740 PolarHBondContact O-N 2.89Å; L736-L741 HydrophobicContact CB-CB 4.13Å; L736-L741 HydrophobicContact CB-CD2 3.82Å; L736-L741 HydrophobicContact CD1-CD2 4.37Å; L736-L741 WeakPolarHBondContact O-CB 3.41Å; L736-L741 PolarHBondContact O-N 3.49Å |
| 737 | I | 94.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 178.1 | -66.3 | 167.2 | 0 | 0 | 0 | 110.2 | R733 Q734 K735 M739 G740 C774 L777 C780 K783 | R733-I737 VanDerWaalsContact O-CG1 3.24Å; R733-I737 WeakPolarHBondContact O-CG1 2.94Å; R733-I737 PolarHBondContact O-N 3.23Å; Q734-I737 PolarHBondContact O-N 3.17Å; K735-I737 PolarHBondContact O-N 3.41Å; I737-M739 PolarHBondContact O-N 3.34Å; I737-G740 PolarHBondContact O-N 3.02Å; I737-C774 HydrophobicContact CD1-CB 3.85Å; I737-C774 HydrophobicContact CG1-CB 4.45Å; I737-L777 HydrophobicContact CD1-CD1 4.06Å; I737-C780 HydrophobicContact CD1-CB 3.65Å; I737-C780 HydrophobicContact CG2-CB 4.06Å; I737-K783 HydrophobicContact CG2-CB 4.07Å; I737-K783 HydrophobicContact CG2-CD 4.35Å |
| 738 | N | 93.4 | Very high | 92.5 | Very high | 80 Ų | 80 | 39.8 Ų | 39.8 | 43% | 0.428 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.7 | -28.5 | 176.8 | -67.4 | -21.9 | 0 | 0 | 0 | 113.3 | Q734 K735 L736 G740 K783 | Q734-N738 WeakPolarHBondContact O-CB 3.26Å; Q734-N738 PolarHBondContact O-N 3.04Å; Q734-N738 PolarHBondContact O-ND2 3.05Å; Q734-N738 VanDerWaalsContact O-ND2 3.14Å; K735-N738 PolarHBondContact O-N 3.2Å; L736-N738 VanDerWaalsContact C-N 3.31Å; L736-N738 PolarHBondContact O-N 2.9Å; N738-G740 VanDerWaalsContact C-N 3.32Å; N738-K783 PolarHBondContact OD1-NZ 3.01Å |
| 739 | M | 92.3 | Very high | 92.4 | Very high | 64 Ų | 64 | 35.6 Ų | 35.6 | 32% | 0.315 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.8 | 177.8 | -68.4 | -178.2 | 71.7 | 0 | 0 | 114 | G665 V668 L672 K735 L736 I737 | G665-M739 VanDerWaalsContact O-CE 3.27Å; G665-M739 WeakPolarHBondContact O-CE 3.33Å; V668-M739 HydrophobicContact CB-CE 3.55Å; V668-M739 HydrophobicContact CB-SD 4.12Å; V668-M739 HydrophobicContact CG1-CB 4.35Å; V668-M739 HydrophobicContact CG1-CE 3.53Å; V668-M739 HydrophobicContact CG1-SD 3.72Å; L672-M739 HydrophobicContact CD1-CB 4Å; L672-M739 WeakPolarHBondContact CD1-O 3.34Å; K735-M739 HydrophobicContact CG-SD 4.12Å; K735-M739 VanDerWaalsContact O-CG 3.25Å; K735-M739 WeakPolarHBondContact O-CG 3.36Å; K735-M739 PolarHBondContact O-N 3.46Å; L736-M739 PolarHBondContact O-N 3.38Å; L736-M739 VanDerWaalsContact O-N 3.17Å; I737-M739 PolarHBondContact O-N 3.34Å |
| 740 | G | 91.9 | Very high | 92.1 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 27% | 0.268 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 107.4 | 14.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | L736 I737 N738 A742 S743 S744 | L736-G740 PolarHBondContact O-N 2.89Å; I737-G740 PolarHBondContact O-N 3.02Å; N738-G740 VanDerWaalsContact C-N 3.32Å; G740-A742 PolarHBondContact O-N 3.26Å; G740-A742 VanDerWaalsContact O-N 3.15Å; G740-S743 PolarHBondContact O-N 2.94Å; G740-S744 PolarHBondContact O-N 3.39Å; G740-S744 VanDerWaalsContact O-N 3.15Å |
| 741 | L | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50.3 | -41.1 | 176.2 | 175.2 | 63.1 | 0 | 0 | 0 | 112.5 | L672 L690 T694 L736 S743 S744 L745 I770 | L672-L741 HydrophobicContact CD2-CB 4.22Å; L672-L741 HydrophobicContact CD2-CD1 3.86Å; L690-L741 HydrophobicContact CD1-CD1 3.84Å; L690-L741 HydrophobicContact CD2-CD1 3.81Å; L690-L741 HydrophobicContact CG-CD1 4.26Å; T694-L741 HydrophobicContact CG2-CD2 3.8Å; L736-L741 HydrophobicContact CB-CB 4.13Å; L736-L741 HydrophobicContact CB-CD2 3.82Å; L736-L741 HydrophobicContact CD1-CD2 4.37Å; L736-L741 WeakPolarHBondContact O-CB 3.41Å; L736-L741 PolarHBondContact O-N 3.49Å; L741-S743 VanDerWaalsContact C-N 3.33Å; L741-S743 PolarHBondContact O-N 2.63Å; L741-S744 WeakPolarHBondContact O-CB 3.48Å; L741-S744 PolarHBondContact O-N 3.33Å; L741-L745 HydrophobicContact CD1-CD1 4.14Å; L741-L745 HydrophobicContact CD1-CD2 4.43Å; L741-L745 HydrophobicContact CD1-CG 4Å; L741-L745 HydrophobicContact CG-CD1 3.95Å; L741-L745 HydrophobicContact CG-CG 4.26Å; L741-L745 VanDerWaalsContact O-CG 3.31Å; L741-L745 WeakPolarHBondContact O-CG 3.44Å; L741-L745 PolarHBondContact O-N 2.86Å; L741-I770 HydrophobicContact CD2-CG2 4.48Å |
| 742 | A | 92.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G740 Y746 L784 S787 | G740-A742 PolarHBondContact O-N 3.26Å; G740-A742 VanDerWaalsContact O-N 3.15Å; A742-Y746 PolarHBondContact O-N 2.97Å; A742-Y746 VanDerWaalsContact O-N 3.09Å; A742-L784 HydrophobicContact CB-CD2 3.78Å; A742-S787 VanDerWaalsContact CB-CB 3.5Å; A742-S787 WeakPolarHBondContact CB-OG 3.29Å |
| 743 | S | 93.1 | Very high | 89 | Confident | 51 Ų | 51 | 32 Ų | 32 | 36% | 0.357 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -69.2 | -44.8 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 111 | G740 L741 L745 Y746 Q747 | G740-S743 PolarHBondContact O-N 2.94Å; L741-S743 VanDerWaalsContact C-N 3.33Å; L741-S743 PolarHBondContact O-N 2.63Å; S743-L745 PolarHBondContact O-N 3.19Å; S743-Y746 WeakPolarHBondContact O-CB 3.22Å; S743-Y746 PolarHBondContact O-N 3.13Å; S743-Y746 VanDerWaalsContact O-N 3.15Å; S743-Q747 WeakPolarHBondContact O-CG 3.4Å; S743-Q747 PolarHBondContact O-N 3.12Å |
| 744 | S | 91.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | L672 A675 G740 L741 Y746 Q747 L748 | L672-S744 PolarHBondContact O-OG 2.96Å; A675-S744 WeakPolarHBondContact CB-OG 3.44Å; G740-S744 PolarHBondContact O-N 3.39Å; G740-S744 VanDerWaalsContact O-N 3.15Å; L741-S744 WeakPolarHBondContact O-CB 3.48Å; L741-S744 PolarHBondContact O-N 3.33Å; S744-Y746 VanDerWaalsContact C-N 3.34Å; S744-Y746 PolarHBondContact O-N 3.32Å; S744-Q747 PolarHBondContact O-N 3Å; S744-L748 WeakPolarHBondContact O-CG 3.36Å; S744-L748 PolarHBondContact O-N 2.95Å |
| 745 | L | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -38.4 | 175.3 | -68.4 | 172.5 | 0 | 0 | 0 | 112.8 | L690 L741 S743 L748 T749 I770 Y771 | L690-L745 HydrophobicContact CD1-CD2 4.31Å; L741-L745 HydrophobicContact CD1-CD1 4.14Å; L741-L745 HydrophobicContact CD1-CD2 4.43Å; L741-L745 HydrophobicContact CD1-CG 4Å; L741-L745 HydrophobicContact CG-CD1 3.95Å; L741-L745 HydrophobicContact CG-CG 4.26Å; L741-L745 VanDerWaalsContact O-CG 3.31Å; L741-L745 WeakPolarHBondContact O-CG 3.44Å; L741-L745 PolarHBondContact O-N 2.86Å; S743-L745 PolarHBondContact O-N 3.19Å; L745-L748 PolarHBondContact O-N 2.96Å; L745-T749 WeakPolarHBondContact O-CB 3.33Å; L745-T749 PolarHBondContact O-N 2.63Å; L745-T749 PolarHBondContact O-OG1 3.33Å; L745-I770 HydrophobicContact CD1-CB 4.45Å; L745-I770 HydrophobicContact CD1-CG2 3.64Å; L745-I770 HydrophobicContact CD2-CB 4.38Å; L745-I770 HydrophobicContact CD2-CD1 4.19Å; L745-I770 HydrophobicContact CD2-CG2 4.03Å; L745-I770 HydrophobicContact CG-CG2 4.44Å; L745-Y771 VanDerWaalsContact C-OH 3.24Å; L745-Y771 HydrophobicContact CB-CE1 3.98Å; L745-Y771 HydrophobicContact CB-CE2 4.06Å; L745-Y771 WeakPolarHBondContact CB-OH 3.41Å; L745-Y771 HydrophobicContact CD1-CD1 4.14Å; L745-Y771 HydrophobicContact CD1-CE1 3.98Å; L745-Y771 PolarHBondContact O-OH 2.73Å |
| 746 | Y | 92.1 | Very high | 83.1 | Confident | 57 Ų | 57 | 33.8 Ų | 33.8 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.4 | 173.3 | -97.2 | 0 | 0 | 0 | 111 | A742 S743 S744 T749 M750 Y771 S787 G788 K791 A792 | A742-Y746 PolarHBondContact O-N 2.97Å; A742-Y746 VanDerWaalsContact O-N 3.09Å; S743-Y746 WeakPolarHBondContact O-CB 3.22Å; S743-Y746 PolarHBondContact O-N 3.13Å; S743-Y746 VanDerWaalsContact O-N 3.15Å; S744-Y746 VanDerWaalsContact C-N 3.34Å; S744-Y746 PolarHBondContact O-N 3.32Å; Y746-T749 PolarHBondContact O-N 2.91Å; Y746-M750 HydrophobicContact CD1-CG 4.24Å; Y746-M750 HydrophobicContact CD2-CE 4.38Å; Y746-M750 HydrophobicContact CD2-CG 4.23Å; Y746-M750 HydrophobicContact CE1-CG 3.8Å; Y746-M750 HydrophobicContact CE2-CE 4.05Å; Y746-M750 HydrophobicContact CE2-CG 3.77Å; Y746-M750 HydrophobicContact CE2-SD 3.98Å; Y746-M750 HydrophobicContact CG-CG 4.45Å; Y746-M750 WeakPolarHBondContact O-CG 3.41Å; Y746-M750 PolarHBondContact O-N 3.44Å; Y746-Y771 WeakPolarHBondContact CA-OH 3.46Å; Y746-Y771 PolarHBondContact N-OH 2.85Å; Y746-Y771 VanDerWaalsContact N-OH 3.15Å; Y746-S787 WeakPolarHBondContact CB-O 3.15Å; Y746-G788 VanDerWaalsContact CD2-O 3.31Å; Y746-G788 WeakPolarHBondContact CD2-O 3.46Å; Y746-K791 HydrophobicContact CE2-CB 4.39Å; Y746-K791 HydrophobicContact CE2-CD 4.23Å; Y746-K791 PolarHBondContact OH-NZ 2.56Å; Y746-A792 HydrophobicContact CD2-CB 3.99Å |
| 747 | Q | 88.3 | Confident | 80.9 | Confident | 46 Ų | 46 | 34 Ų | 34 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 177.3 | -69.3 | 164.7 | -20.2 | 0 | 0 | 111.5 | E676 S743 S744 T749 M750 R751 | E676-Q747 VanDerWaalsContact CG-CD 3.47Å; E676-Q747 PolarHBondContact OE1-NE2 3.09Å; S743-Q747 WeakPolarHBondContact O-CG 3.4Å; S743-Q747 PolarHBondContact O-N 3.12Å; S744-Q747 PolarHBondContact O-N 3Å; Q747-T749 VanDerWaalsContact C-N 3.34Å; Q747-T749 PolarHBondContact O-N 3.48Å; Q747-M750 PolarHBondContact O-N 3.34Å; Q747-R751 WeakPolarHBondContact O-CG 3.39Å; Q747-R751 PolarHBondContact O-N 3.44Å |
| 748 | L | 87.3 | Confident | 78.7 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.7 | -49.5 | 175 | -70.5 | 170 | 0 | 0 | 0 | 111.1 | A675 C678 L686 L690 S744 L745 M750 R751 I752 I767 | A675-L748 HydrophobicContact CB-CD1 4.09Å; A675-L748 HydrophobicContact CB-CD2 4.08Å; A675-L748 HydrophobicContact CB-CG 3.9Å; C678-L748 WeakPolarHBondContact SG-CD2 3.26Å; L686-L748 HydrophobicContact CD2-CD1 4.21Å; L686-L748 HydrophobicContact CD2-CD2 4.3Å; L690-L748 HydrophobicContact CD1-CD1 4.47Å; S744-L748 WeakPolarHBondContact O-CG 3.36Å; S744-L748 PolarHBondContact O-N 2.95Å; L745-L748 PolarHBondContact O-N 2.96Å; L748-M750 PolarHBondContact O-N 3.11Å; L748-R751 PolarHBondContact O-N 2.71Å; L748-I752 WeakPolarHBondContact O-CD1 3.21Å; L748-I752 VanDerWaalsContact O-CG1 3.26Å; L748-I752 WeakPolarHBondContact O-CG1 3.49Å; L748-I752 PolarHBondContact O-N 2.82Å; L748-I767 HydrophobicContact CB-CD1 4.34Å |
| 749 | T | 87.9 | Confident | 76.8 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | -180 | -53 | 0 | 0 | 0 | 0 | 111.9 | L745 Y746 Q747 A753 A792 L796 | L745-T749 WeakPolarHBondContact O-CB 3.33Å; L745-T749 PolarHBondContact O-N 2.63Å; L745-T749 PolarHBondContact O-OG1 3.33Å; Y746-T749 PolarHBondContact O-N 2.91Å; Q747-T749 VanDerWaalsContact C-N 3.34Å; Q747-T749 PolarHBondContact O-N 3.48Å; T749-A753 VanDerWaalsContact O-CB 3.32Å; T749-A753 WeakPolarHBondContact O-CB 3.34Å; T749-A753 PolarHBondContact O-N 3.42Å; T749-A792 HydrophobicContact CG2-CB 3.8Å; T749-L796 HydrophobicContact CG2-CD1 3.84Å; T749-L796 HydrophobicContact CG2-CD2 3.99Å; T749-L796 HydrophobicContact CG2-CG 3.69Å |
| 750 | M | 85.1 | Confident | 75.4 | Confident | 27 Ų | 27 | 35.1 Ų | 35.1 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -36.7 | -179.6 | -70.6 | -53.5 | 98.4 | 0 | 0 | 112.3 | Y746 Q747 L748 T754 A792 K795 | Y746-M750 HydrophobicContact CD1-CG 4.24Å; Y746-M750 HydrophobicContact CD2-CE 4.38Å; Y746-M750 HydrophobicContact CD2-CG 4.23Å; Y746-M750 HydrophobicContact CE1-CG 3.8Å; Y746-M750 HydrophobicContact CE2-CE 4.05Å; Y746-M750 HydrophobicContact CE2-CG 3.77Å; Y746-M750 HydrophobicContact CE2-SD 3.98Å; Y746-M750 HydrophobicContact CG-CG 4.45Å; Y746-M750 WeakPolarHBondContact O-CG 3.41Å; Y746-M750 PolarHBondContact O-N 3.44Å; Q747-M750 PolarHBondContact O-N 3.34Å; L748-M750 PolarHBondContact O-N 3.11Å; M750-T754 PolarHBondContact O-N 3Å; M750-T754 PolarHBondContact O-OG1 2.94Å; M750-A792 HydrophobicContact CE-CB 4.04Å; M750-K795 HydrophobicContact CE-CD 3.7Å; M750-K795 HydrophobicContact CE-CG 4.45Å; M750-K795 HydrophobicContact SD-CD 4.1Å; M750-K795 PolarHBondContact SD-NZ 3.39Å |
| 751 | R | 77.1 | Confident | 74.6 | Confident | 85 Ų | 85 | 38.7 Ų | 38.7 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.9 | -43.8 | 177.4 | -71.8 | -179.3 | 69.9 | -167 | -4.3 | 112.1 | A675 E676 C678 Q747 L748 A753 T754 T755 | A675-R751 PolarHBondContact O-NH1 2.9Å; E676-R751 PolarHBondContact O-NH1 3.23Å; C678-R751 PolarHBondContact O-NH1 2.78Å; C678-R751 PolarHBondContact O-NH2 3.5Å; Q747-R751 WeakPolarHBondContact O-CG 3.39Å; Q747-R751 PolarHBondContact O-N 3.44Å; L748-R751 PolarHBondContact O-N 2.71Å; R751-A753 VanDerWaalsContact C-N 3.31Å; R751-A753 PolarHBondContact O-N 2.72Å; R751-T754 PolarHBondContact O-N 3.35Å; R751-T754 PolarHBondContact O-OG1 2.86Å; R751-T755 PolarHBondContact O-N 3.47Å; R751-T755 PolarHBondContact O-OG1 3.44Å |
| 752 | I | 73 | Confident | 73.9 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 176 | -64.4 | 159.1 | 0 | 0 | 0 | 110.1 | L748 T754 T755 L763 I767 | L748-I752 WeakPolarHBondContact O-CD1 3.21Å; L748-I752 VanDerWaalsContact O-CG1 3.26Å; L748-I752 WeakPolarHBondContact O-CG1 3.49Å; L748-I752 PolarHBondContact O-N 2.82Å; I752-T754 VanDerWaalsContact C-N 3.25Å; I752-T754 PolarHBondContact O-N 3.23Å; I752-T755 PolarHBondContact O-N 3.28Å; I752-T755 VanDerWaalsContact O-N 3.14Å; I752-L763 HydrophobicContact CD1-CD2 3.5Å; I752-L763 VanDerWaalsContact CD1-CD2 3.5Å; I752-L763 HydrophobicContact CD1-CG 3.73Å; I752-L763 HydrophobicContact CG1-CD2 3.98Å; I752-I767 HydrophobicContact CD1-CD1 3.25Å |
| 753 | A | 64.4 | Low | 73.5 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.8 | -22.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T749 R751 K795 | T749-A753 VanDerWaalsContact O-CB 3.32Å; T749-A753 WeakPolarHBondContact O-CB 3.34Å; T749-A753 PolarHBondContact O-N 3.42Å; R751-A753 VanDerWaalsContact C-N 3.31Å; R751-A753 PolarHBondContact O-N 2.72Å; A753-K795 HydrophobicContact CB-CD 3.93Å |
| 754 | T | 56 | Low | 73.3 | Confident | 101 Ų | 101 | 38.4 Ų | 38.4 | 62% | 0.62 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -88.5 | -12.3 | 176 | 47.4 | 0 | 0 | 0 | 0 | 113.7 | M750 R751 I752 | M750-T754 PolarHBondContact O-N 3Å; M750-T754 PolarHBondContact O-OG1 2.94Å; R751-T754 PolarHBondContact O-N 3.35Å; R751-T754 PolarHBondContact O-OG1 2.86Å; I752-T754 VanDerWaalsContact C-N 3.25Å; I752-T754 PolarHBondContact O-N 3.23Å |
| 755 | T | 54.4 | Low | 73.3 | Confident | 34 Ų | 34 | 39.5 Ų | 39.5 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | trans | -88.9 | 127.4 | -170.2 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | K680 R751 I752 V757 | K680-T755 HydrophobicContact CD-CG2 4.13Å; R751-T755 PolarHBondContact O-N 3.47Å; R751-T755 PolarHBondContact O-OG1 3.44Å; I752-T755 PolarHBondContact O-N 3.28Å; I752-T755 VanDerWaalsContact O-N 3.14Å; T755-V757 WeakPolarHBondContact CG2-O 3.26Å | ||
| 756 | L | 48.7 | Very low | 73.1 | Confident | 45 Ų | 45 | 40 Ų | 40 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -78.8 | -17.9 | -179.1 | -74.6 | 127.5 | 0 | 0 | 0 | 113.7 | Y318 E321 R325 | Y318-L756 HydrophobicContact CE2-CD1 4Å; E321-L756 HydrophobicContact CB-CB 4.07Å; E321-L756 HydrophobicContact CB-CD1 4.27Å; E321-L756 HydrophobicContact CG-CB 4.44Å; R325-L756 VanDerWaalsContact CD-CD2 3.41Å; R325-L756 VanDerWaalsContact NH1-CD2 3.3Å |
| 757 | V | 47.8 | Very low | 73.1 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -140.1 | 140.9 | -165.9 | 177.3 | 0 | 0 | 0 | 0 | 112.8 | E321 V324 T404 C407 T755 | E321-V757 HydrophobicContact CB-CG2 4Å; E321-V757 HydrophobicContact CG-CB 4.2Å; E321-V757 HydrophobicContact CG-CG2 3.81Å; V324-V757 HydrophobicContact CB-CB 4.48Å; V324-V757 HydrophobicContact CB-CG1 4.2Å; V324-V757 HydrophobicContact CB-CG2 3.45Å; V324-V757 VanDerWaalsContact CB-CG2 3.45Å; V324-V757 HydrophobicContact CG1-CB 4.22Å; V324-V757 HydrophobicContact CG1-CG1 3.77Å; V324-V757 HydrophobicContact CG1-CG2 3.52Å; V324-V757 HydrophobicContact CG2-CG1 4.08Å; V324-V757 HydrophobicContact CG2-CG2 4Å; T404-V757 HydrophobicContact CG2-CB 4.33Å; T404-V757 HydrophobicContact CG2-CG1 4.06Å; T404-V757 HydrophobicContact CG2-CG2 4.43Å; C407-V757 HydrophobicContact CB-CG1 3.75Å; T755-V757 WeakPolarHBondContact CG2-O 3.26Å |
| 758 | G | 48.7 | Very low | 73.4 | Confident | 40 Ų | 40 | 35 Ų | 35 | 41% | 0.412 | 21% | 0.209 | S | C | . | . | trans | 86 | 19.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N760 | G758-N760 PolarHBondContact O-N 3Š| ||
| 759 | S | 52.2 | Low | 73.8 | Confident | 42 Ų | 42 | 38 Ų | 38 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | trans | -64.6 | 95.1 | -178.6 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | Q761 F801 | S759-Q761 PolarHBondContact O-N 3.47Å; S759-Q761 VanDerWaalsContact O-N 3.09Å; S759-F801 VanDerWaalsContact OG-CD1 3.23Å; S759-F801 WeakPolarHBondContact OG-CD1 3.49Å | ||
| 760 | N | 63.9 | Low | 74.1 | Confident | 94 Ų | 94 | 37.8 Ų | 37.8 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | trans | -66.3 | 103.9 | 165.9 | -92.7 | -30.1 | 0 | 0 | 0 | 108.4 | G758 G762 L763 S764 | G758-N760 PolarHBondContact O-N 3Å; N760-G762 PolarHBondContact O-N 3.37Å; N760-G762 VanDerWaalsContact O-N 3.17Å; N760-L763 HydrophobicContact CB-CB 3.74Å; N760-L763 WeakPolarHBondContact O-CA 3.44Å; N760-L763 VanDerWaalsContact O-CB 3.29Å; N760-L763 WeakPolarHBondContact O-CB 3.31Å; N760-L763 PolarHBondContact O-N 3.07Å; N760-S764 PolarHBondContact O-N 2.87Å | ||
| 761 | Q | 74.6 | Confident | 74.6 | Confident | 100 Ų | 100 | 36.6 Ų | 36.6 | 47% | 0.467 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.2 | -35.9 | 172 | -67.6 | 179 | -20 | 0 | 0 | 110.9 | S759 L763 S764 E765 F801 T803 | S759-Q761 PolarHBondContact O-N 3.47Å; S759-Q761 VanDerWaalsContact O-N 3.09Å; Q761-L763 VanDerWaalsContact C-N 3.3Å; Q761-L763 PolarHBondContact O-N 3.43Å; Q761-S764 PolarHBondContact O-N 3.03Å; Q761-E765 PolarHBondContact O-N 3.13Å; Q761-F801 WeakPolarHBondContact CA-O 3.23Å; Q761-T803 HydrophobicContact CB-CG2 3.68Å |
| 762 | G | 80.3 | Confident | 75.5 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.3 | -28.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N760 L766 | N760-G762 PolarHBondContact O-N 3.37Å; N760-G762 VanDerWaalsContact O-N 3.17Å; G762-L766 VanDerWaalsContact O-CB 3.22Å; G762-L766 WeakPolarHBondContact O-CB 3.32Å; G762-L766 PolarHBondContact O-N 3.03Å |
| 763 | L | 85.5 | Confident | 76.5 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.6 | -46.8 | 174.5 | 179.2 | 56.9 | 0 | 0 | 0 | 111.1 | F684 C687 I752 N760 Q761 E765 L766 I767 | F684-L763 HydrophobicContact CD2-CB 4.27Å; F684-L763 HydrophobicContact CD2-CD1 4.44Å; C687-L763 HydrophobicContact CB-CD1 3.61Å; C687-L763 WeakPolarHBondContact SG-CD1 3.39Å; I752-L763 HydrophobicContact CD1-CD2 3.5Å; I752-L763 VanDerWaalsContact CD1-CD2 3.5Å; I752-L763 HydrophobicContact CD1-CG 3.73Å; I752-L763 HydrophobicContact CG1-CD2 3.98Å; N760-L763 HydrophobicContact CB-CB 3.74Å; N760-L763 WeakPolarHBondContact O-CA 3.44Å; N760-L763 VanDerWaalsContact O-CB 3.29Å; N760-L763 WeakPolarHBondContact O-CB 3.31Å; N760-L763 PolarHBondContact O-N 3.07Å; Q761-L763 VanDerWaalsContact C-N 3.3Å; Q761-L763 PolarHBondContact O-N 3.43Å; L763-E765 VanDerWaalsContact C-N 3.28Å; L763-E765 PolarHBondContact O-N 2.92Å; L763-L766 PolarHBondContact O-N 3.3Å; L763-I767 HydrophobicContact CD1-CD1 4.2Å; L763-I767 HydrophobicContact CD1-CG1 4.38Å; L763-I767 HydrophobicContact CG-CD1 4.17Å; L763-I767 WeakPolarHBondContact O-CG1 3.37Å; L763-I767 PolarHBondContact O-N 3.46Å |
| 764 | S | 88.5 | Confident | 77.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 175.2 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | N760 Q761 S768 F801 N802 | N760-S764 PolarHBondContact O-N 2.87Å; Q761-S764 PolarHBondContact O-N 3.03Å; S764-S768 WeakPolarHBondContact O-CB 3.39Å; S764-S768 PolarHBondContact O-N 3.22Å; S764-S768 PolarHBondContact O-OG 2.6Å; S764-F801 PolarHBondContact OG-O 3.11Å; S764-F801 VanDerWaalsContact OG-O 3.13Å; S764-N802 VanDerWaalsContact C-OD1 3.28Å; S764-N802 VanDerWaalsContact CB-OD1 3.25Å; S764-N802 WeakPolarHBondContact CB-OD1 3.39Å |
| 765 | E | 89.8 | Confident | 79.7 | Confident | 26 Ų | 26 | 25.2 Ų | 25.2 | 12% | 0.121 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 175.4 | -176.7 | 172.8 | 167.4 | 0 | 0 | 111.3 | Q761 L763 I767 S768 R769 N802 T803 T805 | Q761-E765 PolarHBondContact O-N 3.13Å; L763-E765 VanDerWaalsContact C-N 3.28Å; L763-E765 PolarHBondContact O-N 2.92Å; E765-I767 VanDerWaalsContact C-N 3.35Å; E765-I767 PolarHBondContact O-N 3.16Å; E765-S768 CarbonylContact O-C 3.58Å; E765-S768 WeakPolarHBondContact O-CA 2.97Å; E765-S768 WeakPolarHBondContact O-CB 3.47Å; E765-S768 PolarHBondContact O-N 2.53Å; E765-S768 VanDerWaalsContact O-N 3.07Å; E765-R769 WeakPolarHBondContact O-CG 3.24Å; E765-R769 PolarHBondContact O-N 3.44Å; E765-R769 IonicContact OE1-CZ 2.72Å; E765-R769 IonicContact OE1-NE 3.93Å; E765-R769 PolarHBondContact OE1-NE 3.37Å; E765-R769 IonicContact OE1-NH2 3.73Å; E765-R769 PolarHBondContact OE1-NH2 2.56Å; E765-N802 PolarHBondContact N-OD1 2.92Å; E765-N802 VanDerWaalsContact N-OD1 3.12Å; E765-T803 WeakPolarHBondContact CB-OG1 3.39Å; E765-T803 VanDerWaalsContact CD-OG1 3.25Å; E765-T803 WeakPolarHBondContact OE2-CB 3.34Å; E765-T803 VanDerWaalsContact OE2-CG2 3.29Å; E765-T803 WeakPolarHBondContact OE2-CG2 3.29Å; E765-T803 PolarHBondContact OE2-OG1 3.09Å; E765-T805 PolarHBondContact OE1-OG1 2.68Å; E765-T805 PolarHBondContact OE2-OG1 3.37Å; E765-T805 VanDerWaalsContact OE2-OG1 3.04Å |
| 766 | L | 90.1 | Very high | 81.4 | Confident | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 179.8 | -168.5 | 59.6 | 0 | 0 | 0 | 111.9 | F684 C687 A691 F697 G762 L763 S768 R769 I770 | F684-L766 HydrophobicContact CE2-CD2 4.35Å; C687-L766 HydrophobicContact CB-CD2 3.73Å; C687-L766 HydrophobicContact CB-CG 4.2Å; A691-L766 HydrophobicContact CB-CD1 3.46Å; A691-L766 VanDerWaalsContact CB-CD1 3.46Å; A691-L766 HydrophobicContact CB-CD2 4.44Å; A691-L766 HydrophobicContact CB-CG 4.01Å; F697-L766 HydrophobicContact CE1-CD1 3.88Å; F697-L766 HydrophobicContact CZ-CD1 3.87Å; G762-L766 VanDerWaalsContact O-CB 3.22Å; G762-L766 WeakPolarHBondContact O-CB 3.32Å; G762-L766 PolarHBondContact O-N 3.03Å; L763-L766 PolarHBondContact O-N 3.3Å; L766-S768 VanDerWaalsContact C-N 3.31Å; L766-S768 PolarHBondContact O-N 3.48Å; L766-R769 WeakPolarHBondContact O-CB 3.34Å; L766-R769 PolarHBondContact O-N 2.98Å; L766-I770 VanDerWaalsContact O-CG1 3.29Å; L766-I770 WeakPolarHBondContact O-CG1 3.39Å; L766-I770 PolarHBondContact O-N 3.25Å |
| 767 | I | 92.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 173.2 | -67 | 169.4 | 0 | 0 | 0 | 110.7 | C687 L748 I752 L763 E765 R769 I770 Y771 L796 | C687-I767 VanDerWaalsContact SG-CG1 3.58Å; L748-I767 HydrophobicContact CB-CD1 4.34Å; I752-I767 HydrophobicContact CD1-CD1 3.25Å; L763-I767 HydrophobicContact CD1-CD1 4.2Å; L763-I767 HydrophobicContact CD1-CG1 4.38Å; L763-I767 HydrophobicContact CG-CD1 4.17Å; L763-I767 WeakPolarHBondContact O-CG1 3.37Å; L763-I767 PolarHBondContact O-N 3.46Å; E765-I767 VanDerWaalsContact C-N 3.35Å; E765-I767 PolarHBondContact O-N 3.16Å; I767-R769 VanDerWaalsContact C-N 3.33Å; I767-R769 PolarHBondContact O-N 3.5Å; I767-I770 PolarHBondContact O-N 3Å; I767-Y771 HydrophobicContact CG2-CD2 3.75Å; I767-Y771 HydrophobicContact CG2-CE2 3.64Å; I767-Y771 WeakPolarHBondContact O-CD2 3.26Å; I767-Y771 PolarHBondContact O-N 3.15Å; I767-L796 HydrophobicContact CG2-CD1 3.8Å |
| 768 | S | 93.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -41 | 176.9 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | S764 E765 L766 Y771 L772 N802 G806 | S764-S768 WeakPolarHBondContact O-CB 3.39Å; S764-S768 PolarHBondContact O-N 3.22Å; S764-S768 PolarHBondContact O-OG 2.6Å; E765-S768 CarbonylContact O-C 3.58Å; E765-S768 WeakPolarHBondContact O-CA 2.97Å; E765-S768 WeakPolarHBondContact O-CB 3.47Å; E765-S768 PolarHBondContact O-N 2.53Å; E765-S768 VanDerWaalsContact O-N 3.07Å; L766-S768 VanDerWaalsContact C-N 3.31Å; L766-S768 PolarHBondContact O-N 3.48Å; S768-Y771 PolarHBondContact O-N 3.09Å; S768-L772 PolarHBondContact O-N 2.83Å; S768-N802 PolarHBondContact OG-ND2 3.12Å; S768-G806 WeakPolarHBondContact CB-O 3.35Å; S768-G806 PolarHBondContact OG-O 3.4Å |
| 769 | R | 94.6 | Very high | 87.4 | Confident | 63 Ų | 63 | 36.9 Ų | 36.9 | 24% | 0.238 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 173.2 | -70.5 | 176 | -175.6 | -163.2 | -2.6 | 112 | E765 L766 I767 Y771 L772 A773 L809 | E765-R769 WeakPolarHBondContact O-CG 3.24Å; E765-R769 PolarHBondContact O-N 3.44Å; E765-R769 IonicContact OE1-CZ 2.72Å; E765-R769 IonicContact OE1-NE 3.93Å; E765-R769 PolarHBondContact OE1-NE 3.37Å; E765-R769 IonicContact OE1-NH2 3.73Å; E765-R769 PolarHBondContact OE1-NH2 2.56Å; L766-R769 WeakPolarHBondContact O-CB 3.34Å; L766-R769 PolarHBondContact O-N 2.98Å; I767-R769 VanDerWaalsContact C-N 3.33Å; I767-R769 PolarHBondContact O-N 3.5Å; R769-Y771 PolarHBondContact O-N 2.92Å; R769-L772 PolarHBondContact O-N 2.94Å; R769-A773 WeakPolarHBondContact O-CB 3.37Å; R769-A773 PolarHBondContact O-N 2.97Å; R769-L809 HydrophobicContact CG-CD1 3.5Å; R769-L809 VanDerWaalsContact CG-CD1 3.5Å |
| 770 | I | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 178.7 | -61 | 161.5 | 0 | 0 | 0 | 111.2 | C687 L690 A691 T694 S696 L741 L745 L766 I767 L772 A773 C774 | C687-I770 HydrophobicContact CB-CD1 4.48Å; L690-I770 HydrophobicContact CB-CD1 3.92Å; A691-I770 HydrophobicContact CB-CD1 4.1Å; A691-I770 HydrophobicContact CB-CG1 3.96Å; T694-I770 HydrophobicContact CG2-CG2 4.28Å; S696-I770 WeakPolarHBondContact OG-CA 3.28Å; L741-I770 HydrophobicContact CD2-CG2 4.48Å; L745-I770 HydrophobicContact CD1-CB 4.45Å; L745-I770 HydrophobicContact CD1-CG2 3.64Å; L745-I770 HydrophobicContact CD2-CB 4.38Å; L745-I770 HydrophobicContact CD2-CD1 4.19Å; L745-I770 HydrophobicContact CD2-CG2 4.03Å; L745-I770 HydrophobicContact CG-CG2 4.44Å; L766-I770 VanDerWaalsContact O-CG1 3.29Å; L766-I770 WeakPolarHBondContact O-CG1 3.39Å; L766-I770 PolarHBondContact O-N 3.25Å; I767-I770 PolarHBondContact O-N 3Å; I770-L772 VanDerWaalsContact C-N 3.32Å; I770-L772 PolarHBondContact O-N 2.79Å; I770-A773 PolarHBondContact O-N 3.25Å; I770-C774 WeakPolarHBondContact O-CB 3.4Å; I770-C774 PolarHBondContact O-N 3.4Å; I770-C774 PolarHBondContact O-SG 2.92Å |
| 771 | Y | 96 | Very high | 90.5 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.6 | -85 | -60 | 0 | 0 | 0 | 112.2 | L745 Y746 I767 S768 R769 C774 S775 A789 A792 L793 L796 | L745-Y771 VanDerWaalsContact C-OH 3.24Å; L745-Y771 HydrophobicContact CB-CE1 3.98Å; L745-Y771 HydrophobicContact CB-CE2 4.06Å; L745-Y771 WeakPolarHBondContact CB-OH 3.41Å; L745-Y771 HydrophobicContact CD1-CD1 4.14Å; L745-Y771 HydrophobicContact CD1-CE1 3.98Å; L745-Y771 PolarHBondContact O-OH 2.73Å; Y746-Y771 WeakPolarHBondContact CA-OH 3.46Å; Y746-Y771 PolarHBondContact N-OH 2.85Å; Y746-Y771 VanDerWaalsContact N-OH 3.15Å; I767-Y771 HydrophobicContact CG2-CD2 3.75Å; I767-Y771 HydrophobicContact CG2-CE2 3.64Å; I767-Y771 WeakPolarHBondContact O-CD2 3.26Å; I767-Y771 PolarHBondContact O-N 3.15Å; S768-Y771 PolarHBondContact O-N 3.09Å; R769-Y771 PolarHBondContact O-N 2.92Å; Y771-C774 PolarHBondContact O-N 2.65Å; Y771-S775 WeakPolarHBondContact O-CB 3.48Å; Y771-S775 PolarHBondContact O-N 3.42Å; Y771-S775 PolarHBondContact O-OG 3.1Å; Y771-A789 HydrophobicContact CD1-CB 4.18Å; Y771-A789 HydrophobicContact CE1-CB 3.67Å; Y771-A792 HydrophobicContact CE2-CB 4.2Å; Y771-L793 HydrophobicContact CD2-CD2 3.77Å; Y771-L793 HydrophobicContact CD2-CG 4.25Å; Y771-L793 HydrophobicContact CG-CD2 3.82Å; Y771-L793 HydrophobicContact CG-CG 4.2Å; Y771-L796 HydrophobicContact CD2-CD1 4.18Å; Y771-L796 HydrophobicContact CE2-CD1 4.21Å |
| 772 | L | 95.2 | Very high | 91.2 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 177.7 | -177 | 65 | 0 | 0 | 0 | 111.3 | S768 R769 I770 C774 S775 E776 L809 Q812 A813 R816 | S768-L772 PolarHBondContact O-N 2.83Å; R769-L772 PolarHBondContact O-N 2.94Å; I770-L772 VanDerWaalsContact C-N 3.32Å; I770-L772 PolarHBondContact O-N 2.79Å; L772-C774 VanDerWaalsContact C-N 3.32Å; L772-C774 PolarHBondContact O-N 2.73Å; L772-S775 PolarHBondContact O-N 2.87Å; L772-S775 VanDerWaalsContact O-N 3.07Å; L772-S775 PolarHBondContact O-OG 3.28Å; L772-E776 PolarHBondContact O-N 3.37Å; L772-L809 HydrophobicContact CD2-CB 4.37Å; L772-L809 HydrophobicContact CD2-CD2 3.41Å; L772-L809 VanDerWaalsContact CD2-CD2 3.41Å; L772-L809 HydrophobicContact CD2-CG 4.46Å; L772-Q812 HydrophobicContact CD1-CB 3.93Å; L772-Q812 HydrophobicContact CD1-CG 3.73Å; L772-A813 HydrophobicContact CB-CB 4.42Å; L772-A813 HydrophobicContact CD1-CB 4.28Å; L772-R816 VanDerWaalsContact CD1-NH1 3.3Å; L772-R816 PolarHBondContact O-NH1 2.73Å |
| 773 | A | 93.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S696 R733 R769 I770 S775 E776 | S696-A773 VanDerWaalsContact OG-CB 3.22Å; S696-A773 WeakPolarHBondContact OG-CB 3.49Å; R733-A773 PolarHBondContact NH1-O 3.33Å; R769-A773 WeakPolarHBondContact O-CB 3.37Å; R769-A773 PolarHBondContact O-N 2.97Å; I770-A773 PolarHBondContact O-N 3.25Å; A773-S775 VanDerWaalsContact C-N 3.34Å; A773-E776 WeakPolarHBondContact O-CB 3.47Å; A773-E776 PolarHBondContact O-N 3.44Å |
| 774 | C | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -33.6 | 175.5 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | I737 I770 Y771 L772 E776 L777 L784 | I737-C774 HydrophobicContact CD1-CB 3.85Å; I737-C774 HydrophobicContact CG1-CB 4.45Å; I770-C774 WeakPolarHBondContact O-CB 3.4Å; I770-C774 PolarHBondContact O-N 3.4Å; I770-C774 PolarHBondContact O-SG 2.92Å; Y771-C774 PolarHBondContact O-N 2.65Å; L772-C774 VanDerWaalsContact C-N 3.32Å; L772-C774 PolarHBondContact O-N 2.73Å; C774-E776 PolarHBondContact O-N 3.48Å; C774-L777 PolarHBondContact O-N 2.93Å; C774-L784 HydrophobicContact CB-CD1 4.07Å; C774-L784 HydrophobicContact CB-CD2 4.12Å |
| 775 | S | 92.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.1 | -12.3 | 179.7 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | Y771 L772 A773 L777 R781 R816 | Y771-S775 WeakPolarHBondContact O-CB 3.48Å; Y771-S775 PolarHBondContact O-N 3.42Å; Y771-S775 PolarHBondContact O-OG 3.1Å; L772-S775 PolarHBondContact O-N 2.87Å; L772-S775 VanDerWaalsContact O-N 3.07Å; L772-S775 PolarHBondContact O-OG 3.28Å; A773-S775 VanDerWaalsContact C-N 3.34Å; S775-L777 PolarHBondContact O-N 3.38Å; S775-R781 VanDerWaalsContact O-CZ 3.29Å; S775-R781 PolarHBondContact O-NE 2.9Å; S775-R781 PolarHBondContact O-NH2 2.79Å; S775-R816 WeakPolarHBondContact OG-CD 3.37Å |
| 776 | E | 91.8 | Very high | 92.1 | Very high | 91 Ų | 91 | 39.1 Ų | 39.1 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.7 | 172.2 | -69.8 | 177.9 | -179.9 | 0 | 0 | 111.9 | R733 L772 A773 C774 V778 R816 | R733-E776 IonicContact CZ-OE2 3.4Å; R733-E776 IonicContact NH1-OE2 2.78Å; R733-E776 PolarHBondContact NH1-OE2 2.86Å; R733-E776 IonicContact NH2-OE2 3.53Å; L772-E776 PolarHBondContact O-N 3.37Å; A773-E776 WeakPolarHBondContact O-CB 3.47Å; A773-E776 PolarHBondContact O-N 3.44Å; C774-E776 PolarHBondContact O-N 3.48Å; E776-V778 PolarHBondContact O-N 2.91Å; E776-V778 VanDerWaalsContact O-N 3.09Å; E776-R816 IonicContact OE1-NH1 2.79Å; E776-R816 PolarHBondContact OE1-NH1 3.21Å |
| 777 | L | 91.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | trans | -76.6 | 96.2 | 175.9 | -65.4 | 179.5 | 0 | 0 | 0 | 110.8 | Q730 R733 Q734 I737 C774 S775 E779 C780 R781 | Q730-L777 HydrophobicContact CB-CD2 3.92Å; Q730-L777 HydrophobicContact CG-CD2 3.89Å; R733-L777 HydrophobicContact CB-CD1 3.48Å; R733-L777 VanDerWaalsContact CB-CD1 3.48Å; R733-L777 HydrophobicContact CB-CG 4.37Å; Q734-L777 HydrophobicContact CB-CD1 4.16Å; I737-L777 HydrophobicContact CD1-CD1 4.06Å; C774-L777 PolarHBondContact O-N 2.93Å; S775-L777 PolarHBondContact O-N 3.38Å; L777-E779 PolarHBondContact O-N 3.21Å; L777-C780 HydrophobicContact CB-CB 3.92Å; L777-C780 PolarHBondContact O-N 3.42Å; L777-R781 PolarHBondContact O-N 3.26Å | ||
| 778 | V | 89.7 | Confident | 92 | Very high | 91 Ų | 91 | 41.5 Ų | 41.5 | 55% | 0.552 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -51.7 | -43.5 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | E776 C780 R781 T820 | E776-V778 PolarHBondContact O-N 2.91Å; E776-V778 VanDerWaalsContact O-N 3.09Å; V778-C780 VanDerWaalsContact C-N 3.26Å; V778-C780 PolarHBondContact O-N 3.41Å; V778-R781 PolarHBondContact O-N 3.21Å; V778-T820 HydrophobicContact CG1-CG2 4.14Å |
| 779 | E | 89.2 | Confident | 91.9 | Very high | 167 Ų | 167 | 41.5 Ų | 41.5 | 78% | 0.78 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -64.2 | -27.5 | -179.8 | -60 | 179.8 | -179.7 | 0 | 0 | 113.7 | L777 | L777-E779 PolarHBondContact O-N 3.21Š|
| 780 | C | 89.8 | Confident | 91.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -91.3 | -11.5 | -178.8 | -91.6 | 0 | 0 | 0 | 0 | 114.2 | Q734 I737 L777 V778 G782 K783 L784 | Q734-C780 PolarHBondContact NE2-SG 2.84Å; Q734-C780 PolarHBondContact OE1-SG 3.45Å; I737-C780 HydrophobicContact CD1-CB 3.65Å; I737-C780 HydrophobicContact CG2-CB 4.06Å; L777-C780 HydrophobicContact CB-CB 3.92Å; L777-C780 PolarHBondContact O-N 3.42Å; V778-C780 VanDerWaalsContact C-N 3.26Å; V778-C780 PolarHBondContact O-N 3.41Å; C780-G782 PolarHBondContact O-N 3.26Å; C780-K783 WeakPolarHBondContact O-CB 3.5Å; C780-K783 PolarHBondContact O-N 3.29Å; C780-L784 PolarHBondContact O-N 2.81Å; C780-L784 VanDerWaalsContact O-N 3.12Å |
| 781 | R | 91.8 | Very high | 91.3 | Very high | 25 Ų | 25 | 43 Ų | 43 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56 | -37.3 | -177.3 | -67.5 | -178.6 | -175.5 | -178.9 | 5.2 | 112.3 | S775 L777 V778 K783 L784 V785 R816 L817 T820 | S775-R781 VanDerWaalsContact O-CZ 3.29Å; S775-R781 PolarHBondContact O-NE 2.9Å; S775-R781 PolarHBondContact O-NH2 2.79Å; L777-R781 PolarHBondContact O-N 3.26Å; V778-R781 PolarHBondContact O-N 3.21Å; R781-K783 PolarHBondContact O-N 3.46Å; R781-L784 PolarHBondContact O-N 3.45Å; R781-V785 WeakPolarHBondContact O-CG2 3.27Å; R781-V785 PolarHBondContact O-N 2.92Å; R781-V785 VanDerWaalsContact O-N 3.1Å; R781-R816 PolarHBondContact NH1-O 2.89Å; R781-L817 HydrophobicContact CB-CD2 3.87Å; R781-L817 HydrophobicContact CG-CD2 4.08Å; R781-T820 WeakPolarHBondContact CD-OG1 2.8Å |
| 782 | G | 89.3 | Confident | 91.1 | Very high | 41 Ų | 41 | 43 Ų | 43 | 42% | 0.423 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C780 V785 Q786 | C780-G782 PolarHBondContact O-N 3.26Å; G782-V785 PolarHBondContact O-N 3.43Å; G782-Q786 WeakPolarHBondContact O-CG 3.41Å; G782-Q786 PolarHBondContact O-N 3.42Å |
| 783 | K | 91 | Very high | 91 | Very high | 88 Ų | 88 | 42.2 Ų | 42.2 | 38% | 0.383 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.2 | -36.8 | 178.3 | -63.5 | -172.8 | -178.9 | -173.8 | 0 | 112.3 | I737 N738 C780 R781 V785 Q786 S787 | I737-K783 HydrophobicContact CG2-CB 4.07Å; I737-K783 HydrophobicContact CG2-CD 4.35Å; N738-K783 PolarHBondContact OD1-NZ 3.01Å; C780-K783 WeakPolarHBondContact O-CB 3.5Å; C780-K783 PolarHBondContact O-N 3.29Å; R781-K783 PolarHBondContact O-N 3.46Å; K783-V785 VanDerWaalsContact C-N 3.34Å; K783-Q786 PolarHBondContact O-N 2.92Å; K783-S787 PolarHBondContact O-N 3.27Å; K783-S787 VanDerWaalsContact O-N 3.07Å; K783-S787 PolarHBondContact O-OG 3.23Å |
| 784 | L | 92.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -47.7 | 172.9 | -66.6 | 174.7 | 0 | 0 | 0 | 110.4 | A742 C774 C780 R781 S787 G788 A789 L817 | A742-L784 HydrophobicContact CB-CD2 3.78Å; C774-L784 HydrophobicContact CB-CD1 4.07Å; C774-L784 HydrophobicContact CB-CD2 4.12Å; C780-L784 PolarHBondContact O-N 2.81Å; C780-L784 VanDerWaalsContact O-N 3.12Å; R781-L784 PolarHBondContact O-N 3.45Å; L784-S787 PolarHBondContact O-N 2.89Å; L784-G788 PolarHBondContact O-N 2.92Å; L784-A789 HydrophobicContact CB-CB 3.94Å; L784-A789 WeakPolarHBondContact O-CB 3.29Å; L784-A789 PolarHBondContact O-N 3.1Å; L784-L817 HydrophobicContact CB-CD2 4.27Å; L784-L817 HydrophobicContact CD1-CD2 4.29Å |
| 785 | V | 90.5 | Very high | 90.5 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -49.4 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | R781 G782 K783 S787 G788 L817 T826 | R781-V785 WeakPolarHBondContact O-CG2 3.27Å; R781-V785 PolarHBondContact O-N 2.92Å; R781-V785 VanDerWaalsContact O-N 3.1Å; G782-V785 PolarHBondContact O-N 3.43Å; K783-V785 VanDerWaalsContact C-N 3.34Å; V785-S787 PolarHBondContact O-N 3.43Å; V785-G788 PolarHBondContact O-N 3.48Å; V785-L817 HydrophobicContact CG2-CB 4.47Å; V785-L817 HydrophobicContact CG2-CD1 4.26Å; V785-L817 HydrophobicContact CG2-CD2 4.16Å; V785-T826 HydrophobicContact CB-CG2 4.31Å; V785-T826 HydrophobicContact CG1-CG2 3.6Å; V785-T826 HydrophobicContact CG2-CG2 3.77Å |
| 786 | Q | 89.1 | Confident | 90.4 | Very high | 167 Ų | 167 | 46.5 Ų | 46.5 | 78% | 0.78 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -57.6 | -33.9 | 179.5 | -75 | 174.1 | 6.9 | 0 | 0 | 112.7 | G782 K783 G788 | G782-Q786 WeakPolarHBondContact O-CG 3.41Å; G782-Q786 PolarHBondContact O-N 3.42Å; K783-Q786 PolarHBondContact O-N 2.92Å; Q786-G788 PolarHBondContact O-N 3.29Å |
| 787 | S | 90 | Very high | 90.3 | Very high | 39 Ų | 39 | 42.9 Ų | 42.9 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 1.3 | 178.7 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | A742 Y746 K783 L784 V785 | A742-S787 VanDerWaalsContact CB-CB 3.5Å; A742-S787 WeakPolarHBondContact CB-OG 3.29Å; Y746-S787 WeakPolarHBondContact CB-O 3.15Å; K783-S787 PolarHBondContact O-N 3.27Å; K783-S787 VanDerWaalsContact O-N 3.07Å; K783-S787 PolarHBondContact O-OG 3.23Å; L784-S787 PolarHBondContact O-N 2.89Å; V785-S787 PolarHBondContact O-N 3.43Å |
| 788 | G | 89.5 | Confident | 90 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 21% | 0.206 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 13.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y746 L784 V785 Q786 G790 K791 A792 | Y746-G788 VanDerWaalsContact CD2-O 3.31Å; Y746-G788 WeakPolarHBondContact CD2-O 3.46Å; L784-G788 PolarHBondContact O-N 2.92Å; V785-G788 PolarHBondContact O-N 3.48Å; Q786-G788 PolarHBondContact O-N 3.29Å; G788-G790 VanDerWaalsContact C-N 3.25Å; G788-G790 PolarHBondContact O-N 2.97Å; G788-K791 PolarHBondContact O-N 3.32Å; G788-K791 VanDerWaalsContact O-N 3.09Å; G788-A792 PolarHBondContact O-N 3.34Å; G788-A792 VanDerWaalsContact O-N 3.16Å |
| 789 | A | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56 | -37.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y771 L784 K791 A792 L793 L817 | Y771-A789 HydrophobicContact CD1-CB 4.18Å; Y771-A789 HydrophobicContact CE1-CB 3.67Å; L784-A789 HydrophobicContact CB-CB 3.94Å; L784-A789 WeakPolarHBondContact O-CB 3.29Å; L784-A789 PolarHBondContact O-N 3.1Å; A789-K791 VanDerWaalsContact C-N 3.32Å; A789-K791 PolarHBondContact O-N 2.69Å; A789-A792 PolarHBondContact O-N 2.97Å; A789-L793 WeakPolarHBondContact O-CB 3.48Å; A789-L793 WeakPolarHBondContact O-CG 3.2Å; A789-L793 PolarHBondContact O-N 3.48Å; A789-L817 HydrophobicContact CB-CD1 4.31Å |
| 790 | G | 89.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G788 L794 F827 | G788-G790 VanDerWaalsContact C-N 3.25Å; G788-G790 PolarHBondContact O-N 2.97Å; G790-L794 WeakPolarHBondContact O-CB 3.26Å; G790-L794 WeakPolarHBondContact O-CG 3.2Å; G790-L794 PolarHBondContact O-N 3.18Å; G790-F827 VanDerWaalsContact CA-CE1 3.46Å |
| 791 | K | 88.9 | Confident | 87.6 | Confident | 90 Ų | 90 | 42.5 Ų | 42.5 | 39% | 0.391 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.2 | -38.9 | 176.7 | -178.2 | -176.2 | 172.1 | -164.3 | 0 | 111.8 | Y746 G788 A789 K795 | Y746-K791 HydrophobicContact CE2-CB 4.39Å; Y746-K791 HydrophobicContact CE2-CD 4.23Å; Y746-K791 PolarHBondContact OH-NZ 2.56Å; G788-K791 PolarHBondContact O-N 3.32Å; G788-K791 VanDerWaalsContact O-N 3.09Å; A789-K791 VanDerWaalsContact C-N 3.32Å; A789-K791 PolarHBondContact O-N 2.69Å; K791-K795 PolarHBondContact O-N 3.46Å |
| 792 | A | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -49.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y746 T749 M750 Y771 G788 A789 L794 K795 L796 | Y746-A792 HydrophobicContact CD2-CB 3.99Å; T749-A792 HydrophobicContact CG2-CB 3.8Å; M750-A792 HydrophobicContact CE-CB 4.04Å; Y771-A792 HydrophobicContact CE2-CB 4.2Å; G788-A792 PolarHBondContact O-N 3.34Å; G788-A792 VanDerWaalsContact O-N 3.16Å; A789-A792 PolarHBondContact O-N 2.97Å; A792-L794 PolarHBondContact O-N 2.86Å; A792-K795 WeakPolarHBondContact O-CB 3.31Å; A792-K795 PolarHBondContact O-N 2.9Å; A792-K795 VanDerWaalsContact O-N 3.11Å; A792-L796 PolarHBondContact O-N 3.27Å |
| 793 | L | 92.9 | Very high | 87 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -37.9 | -179.7 | -73 | 169.5 | 0 | 0 | 0 | 113.1 | Y771 A789 K795 L796 S797 A810 A813 L814 L817 | Y771-L793 HydrophobicContact CD2-CD2 3.77Å; Y771-L793 HydrophobicContact CD2-CG 4.25Å; Y771-L793 HydrophobicContact CG-CD2 3.82Å; Y771-L793 HydrophobicContact CG-CG 4.2Å; A789-L793 WeakPolarHBondContact O-CB 3.48Å; A789-L793 WeakPolarHBondContact O-CG 3.2Å; A789-L793 PolarHBondContact O-N 3.48Å; L793-K795 PolarHBondContact O-N 3.19Å; L793-L796 HydrophobicContact CD2-CD1 4.49Å; L793-L796 PolarHBondContact O-N 2.95Å; L793-L796 VanDerWaalsContact O-N 3.16Å; L793-S797 WeakPolarHBondContact O-CB 3.45Å; L793-S797 PolarHBondContact O-N 3.3Å; L793-S797 PolarHBondContact O-OG 3.45Å; L793-A810 HydrophobicContact CD2-CB 4.05Å; L793-A813 HydrophobicContact CD1-CB 3.78Å; L793-A813 HydrophobicContact CD2-CB 3.89Å; L793-A813 HydrophobicContact CG-CB 4.5Å; L793-L814 HydrophobicContact CB-CD1 4.22Å; L793-L814 HydrophobicContact CB-CD2 3.49Å; L793-L814 VanDerWaalsContact CB-CD2 3.49Å; L793-L814 HydrophobicContact CB-CG 3.63Å; L793-L814 HydrophobicContact CD1-CD2 4.17Å; L793-L814 HydrophobicContact CD1-CG 4.35Å; L793-L814 HydrophobicContact CG-CD2 4.5Å; L793-L817 HydrophobicContact CD1-CD1 3.81Å |
| 794 | L | 90.6 | Very high | 86.7 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -33.4 | 172.3 | -86.4 | 173.4 | 0 | 0 | 0 | 112.7 | G790 A792 S797 K798 L814 F827 E834 L835 P838 | G790-L794 WeakPolarHBondContact O-CB 3.26Å; G790-L794 WeakPolarHBondContact O-CG 3.2Å; G790-L794 PolarHBondContact O-N 3.18Å; A792-L794 PolarHBondContact O-N 2.86Å; L794-S797 PolarHBondContact O-OG 2.89Å; L794-K798 WeakPolarHBondContact O-CG 3.3Å; L794-L814 HydrophobicContact CD2-CD1 4.05Å; L794-L814 HydrophobicContact CG-CD1 4.26Å; L794-L814 HydrophobicContact CG-CD2 4.28Å; L794-F827 HydrophobicContact CD1-CD1 3.75Å; L794-F827 HydrophobicContact CD1-CE1 3.9Å; L794-F827 HydrophobicContact CG-CE1 4.29Å; L794-E834 HydrophobicContact CD2-CB 4.19Å; L794-L835 HydrophobicContact CD1-CD2 4.45Å; L794-L835 HydrophobicContact CD2-CD2 3.81Å; L794-L835 HydrophobicContact CD2-CG 4.44Å; L794-L835 HydrophobicContact CG-CD2 4.21Å; L794-P838 HydrophobicContact CD2-CG 4.48Å |
| 795 | K | 88.4 | Confident | 86.5 | Confident | 79 Ų | 79 | 45.5 Ų | 45.5 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.4 | -45.3 | 172.5 | -70.9 | -165.5 | -175.8 | -176.4 | 0 | 111.1 | M750 A753 K791 A792 L793 S797 K798 S799 | M750-K795 HydrophobicContact CE-CD 3.7Å; M750-K795 HydrophobicContact CE-CG 4.45Å; M750-K795 HydrophobicContact SD-CD 4.1Å; M750-K795 PolarHBondContact SD-NZ 3.39Å; A753-K795 HydrophobicContact CB-CD 3.93Å; K791-K795 PolarHBondContact O-N 3.46Å; A792-K795 WeakPolarHBondContact O-CB 3.31Å; A792-K795 PolarHBondContact O-N 2.9Å; A792-K795 VanDerWaalsContact O-N 3.11Å; L793-K795 PolarHBondContact O-N 3.19Å; K795-S797 VanDerWaalsContact C-N 3.32Å; K795-S797 PolarHBondContact O-N 2.57Å; K795-K798 CarbonylContact O-C 3.58Å; K795-K798 PolarHBondContact O-N 2.69Å; K795-S799 WeakPolarHBondContact O-CA 3.33Å; K795-S799 WeakPolarHBondContact O-CB 3.4Å; K795-S799 PolarHBondContact O-N 2.74Å |
| 796 | L | 90.1 | Very high | 86.5 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -34.5 | -178.6 | -70.9 | 170.3 | 0 | 0 | 0 | 113 | T749 I767 Y771 A792 L793 K798 N802 A810 | T749-L796 HydrophobicContact CG2-CD1 3.84Å; T749-L796 HydrophobicContact CG2-CD2 3.99Å; T749-L796 HydrophobicContact CG2-CG 3.69Å; I767-L796 HydrophobicContact CG2-CD1 3.8Å; Y771-L796 HydrophobicContact CD2-CD1 4.18Å; Y771-L796 HydrophobicContact CE2-CD1 4.21Å; A792-L796 PolarHBondContact O-N 3.27Å; L793-L796 HydrophobicContact CD2-CD1 4.49Å; L793-L796 PolarHBondContact O-N 2.95Å; L793-L796 VanDerWaalsContact O-N 3.16Å; L796-K798 VanDerWaalsContact C-N 3.32Å; L796-N802 PolarHBondContact O-ND2 3.1Å; L796-A810 HydrophobicContact CB-CB 3.86Å |
| 797 | S | 90 | Very high | 86.6 | Confident | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.8 | -23.1 | 177.4 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | L793 L794 K795 P838 | L793-S797 WeakPolarHBondContact O-CB 3.45Å; L793-S797 PolarHBondContact O-N 3.3Å; L793-S797 PolarHBondContact O-OG 3.45Å; L794-S797 PolarHBondContact O-OG 2.89Å; K795-S797 VanDerWaalsContact C-N 3.32Å; K795-S797 PolarHBondContact O-N 2.57Å; S797-P838 WeakPolarHBondContact OG-CG 3.48Å |
| 798 | K | 84 | Confident | 86.7 | Confident | 92 Ų | 92 | 37.1 Ų | 37.1 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -104.1 | -7.2 | 178.9 | -64.3 | 179.3 | -180 | -173.6 | 0 | 113.9 | L794 K795 L796 E834 | L794-K798 WeakPolarHBondContact O-CG 3.3Å; K795-K798 CarbonylContact O-C 3.58Å; K795-K798 PolarHBondContact O-N 2.69Å; L796-K798 VanDerWaalsContact C-N 3.32Å; K798-E834 VanDerWaalsContact NZ-CB 3.31Å; K798-E834 IonicContact NZ-OE2 3.97Å; K798-E834 PolarHBondContact NZ-OE2 3.11Å |
| 799 | S | 78.2 | Confident | 86.9 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | trans | -76.8 | 125.8 | -172.6 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | K795 F801 N802 K807 | K795-S799 WeakPolarHBondContact O-CA 3.33Å; K795-S799 WeakPolarHBondContact O-CB 3.4Å; K795-S799 PolarHBondContact O-N 2.74Å; S799-F801 PolarHBondContact O-N 3.39Å; S799-F801 WeakPolarHBondContact OG-CB 3.48Å; S799-F801 PolarHBondContact OG-N 3.31Å; S799-N802 PolarHBondContact O-N 2.74Å; S799-N802 VanDerWaalsContact O-N 3.13Å; S799-K807 WeakPolarHBondContact O-CE 3.34Å | ||
| 800 | D | 69.7 | Low | 87.1 | Confident | 86 Ų | 86 | 37.6 Ų | 37.6 | 46% | 0.46 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.7 | 171.9 | -49.7 | -41 | 0 | 0 | 0 | 112.3 | N802 | D800-N802 VanDerWaalsContact C-N 3.33Š|
| 801 | F | 71 | Confident | 87.4 | Confident | 65 Ų | 65 | 37.5 Ų | 37.5 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 8.7 | 175.4 | -52.6 | -73.3 | 0 | 0 | 0 | 113.3 | S759 Q761 S764 S799 | S759-F801 VanDerWaalsContact OG-CD1 3.23Å; S759-F801 WeakPolarHBondContact OG-CD1 3.49Å; Q761-F801 WeakPolarHBondContact CA-O 3.23Å; S764-F801 PolarHBondContact OG-O 3.11Å; S764-F801 VanDerWaalsContact OG-O 3.13Å; S799-F801 PolarHBondContact O-N 3.39Å; S799-F801 WeakPolarHBondContact OG-CB 3.48Å; S799-F801 PolarHBondContact OG-N 3.31Å |
| 802 | N | 83 | Confident | 87.7 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -106.8 | 147.1 | 172.4 | -158.2 | 5.4 | 0 | 0 | 0 | 109.7 | S764 E765 S768 L796 S799 D800 G806 K807 | S764-N802 VanDerWaalsContact C-OD1 3.28Å; S764-N802 VanDerWaalsContact CB-OD1 3.25Å; S764-N802 WeakPolarHBondContact CB-OD1 3.39Å; E765-N802 PolarHBondContact N-OD1 2.92Å; E765-N802 VanDerWaalsContact N-OD1 3.12Å; S768-N802 PolarHBondContact OG-ND2 3.12Å; L796-N802 PolarHBondContact O-ND2 3.1Å; S799-N802 PolarHBondContact O-N 2.74Å; S799-N802 VanDerWaalsContact O-N 3.13Å; D800-N802 VanDerWaalsContact C-N 3.33Å; N802-G806 PolarHBondContact ND2-O 3.41Å; N802-G806 WeakPolarHBondContact OD1-CA 3.45Å; N802-K807 HydrophobicContact CB-CG 4.01Å; N802-K807 PolarHBondContact ND2-N 3.34Å; N802-K807 WeakPolarHBondContact O-CE 3.4Å |
| 803 | T | 85 | Confident | 87.9 | Confident | 27 Ų | 27 | 33.6 Ų | 33.6 | 17% | 0.166 | 17% | 0.174 | C | C | . | . | trans | -66.4 | 159.6 | 170.9 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | Q761 E765 T805 G806 K807 | Q761-T803 HydrophobicContact CB-CG2 3.68Å; E765-T803 WeakPolarHBondContact CB-OG1 3.39Å; E765-T803 VanDerWaalsContact CD-OG1 3.25Å; E765-T803 WeakPolarHBondContact OE2-CB 3.34Å; E765-T803 VanDerWaalsContact OE2-CG2 3.29Å; E765-T803 WeakPolarHBondContact OE2-CG2 3.29Å; E765-T803 PolarHBondContact OE2-OG1 3.09Å; T803-T805 VanDerWaalsContact C-N 3.27Å; T803-T805 PolarHBondContact O-N 3.04Å; T803-T805 PolarHBondContact OG1-OG1 3.17Å; T803-G806 CarbonylContact O-C 3.57Å; T803-G806 WeakPolarHBondContact O-CA 3.38Å; T803-G806 PolarHBondContact O-N 2.88Å; T803-G806 VanDerWaalsContact O-N 3.09Å; T803-G806 PolarHBondContact OG1-N 3.38Å; T803-K807 WeakPolarHBondContact O-CG 3.22Å; T803-K807 PolarHBondContact O-N 3.2Å | ||
| 804 | D | 85.3 | Confident | 88 | Confident | 114 Ų | 114 | 33.4 Ų | 33.4 | 61% | 0.61 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -65.3 | -35.1 | 178.2 | -61 | -39.4 | 0 | 0 | 0 | 111.5 | K807 T808 | D804-K807 PolarHBondContact O-N 3.35Å; D804-K807 IonicContact OD1-NZ 3.26Å; D804-K807 PolarHBondContact OD1-NZ 2.93Å; D804-K807 VanDerWaalsContact OD1-NZ 3.09Å; D804-T808 PolarHBondContact O-N 2.99Å; D804-T808 PolarHBondContact O-OG1 3.29Å; D804-T808 VanDerWaalsContact O-OG1 3.04Å |
| 805 | T | 88.6 | Confident | 88.2 | Confident | 77 Ų | 77 | 33 Ų | 33 | 47% | 0.472 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 168.1 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | E765 T803 K807 T808 L809 | E765-T805 PolarHBondContact OE1-OG1 2.68Å; E765-T805 PolarHBondContact OE2-OG1 3.37Å; E765-T805 VanDerWaalsContact OE2-OG1 3.04Å; T803-T805 VanDerWaalsContact C-N 3.27Å; T803-T805 PolarHBondContact O-N 3.04Å; T803-T805 PolarHBondContact OG1-OG1 3.17Å; T805-K807 VanDerWaalsContact C-N 3.34Å; T805-K807 PolarHBondContact O-N 3.15Å; T805-T808 PolarHBondContact O-N 3.2Å; T805-L809 VanDerWaalsContact O-CG 3.23Å; T805-L809 WeakPolarHBondContact O-CG 3.17Å; T805-L809 PolarHBondContact O-N 2.99Å |
| 806 | G | 89.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S768 N802 T803 L809 A810 | S768-G806 WeakPolarHBondContact CB-O 3.35Å; S768-G806 PolarHBondContact OG-O 3.4Å; N802-G806 PolarHBondContact ND2-O 3.41Å; N802-G806 WeakPolarHBondContact OD1-CA 3.45Å; T803-G806 CarbonylContact O-C 3.57Å; T803-G806 WeakPolarHBondContact O-CA 3.38Å; T803-G806 PolarHBondContact O-N 2.88Å; T803-G806 VanDerWaalsContact O-N 3.09Å; T803-G806 PolarHBondContact OG1-N 3.38Å; G806-L809 PolarHBondContact O-N 2.93Å; G806-A810 WeakPolarHBondContact O-CB 3.29Å; G806-A810 PolarHBondContact O-N 3.45Å |
| 807 | K | 91.1 | Very high | 88.7 | Confident | 44 Ų | 44 | 29.7 Ų | 29.7 | 19% | 0.191 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 175.4 | -68.4 | 172.4 | -168 | 159.3 | 0 | 111.6 | S799 N802 T803 D804 T805 A810 S811 | S799-K807 WeakPolarHBondContact O-CE 3.34Å; N802-K807 HydrophobicContact CB-CG 4.01Å; N802-K807 PolarHBondContact ND2-N 3.34Å; N802-K807 WeakPolarHBondContact O-CE 3.4Å; T803-K807 WeakPolarHBondContact O-CG 3.22Å; T803-K807 PolarHBondContact O-N 3.2Å; D804-K807 PolarHBondContact O-N 3.35Å; D804-K807 IonicContact OD1-NZ 3.26Å; D804-K807 PolarHBondContact OD1-NZ 2.93Å; D804-K807 VanDerWaalsContact OD1-NZ 3.09Å; T805-K807 VanDerWaalsContact C-N 3.34Å; T805-K807 PolarHBondContact O-N 3.15Å; K807-A810 PolarHBondContact O-N 3.43Å; K807-S811 WeakPolarHBondContact O-CB 3.48Å; K807-S811 PolarHBondContact O-N 2.88Å; K807-S811 PolarHBondContact O-OG 2.85Å |
| 808 | T | 93.2 | Very high | 88.8 | Confident | 20 Ų | 20 | 29 Ų | 29 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | D804 T805 A810 S811 Q812 H841 L842 | D804-T808 PolarHBondContact O-N 2.99Å; D804-T808 PolarHBondContact O-OG1 3.29Å; D804-T808 VanDerWaalsContact O-OG1 3.04Å; T805-T808 PolarHBondContact O-N 3.2Å; T808-A810 PolarHBondContact O-N 3.02Å; T808-S811 WeakPolarHBondContact O-CB 3.38Å; T808-S811 PolarHBondContact O-N 3.4Å; T808-Q812 WeakPolarHBondContact O-CB 3.45Å; T808-Q812 PolarHBondContact O-N 3.28Å; T808-H841 PolarHBondContact OG1-NE2 3.09Å; T808-L842 HydrophobicContact CG2-CD2 4.01Å |
| 809 | L | 94.2 | Very high | 89.2 | Confident | 30 Ų | 30 | 26.9 Ų | 26.9 | 16% | 0.157 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 178.8 | -63.7 | 168.5 | 0 | 0 | 0 | 112.4 | R769 L772 T805 G806 S811 Q812 A813 | R769-L809 HydrophobicContact CG-CD1 3.5Å; R769-L809 VanDerWaalsContact CG-CD1 3.5Å; L772-L809 HydrophobicContact CD2-CB 4.37Å; L772-L809 HydrophobicContact CD2-CD2 3.41Å; L772-L809 VanDerWaalsContact CD2-CD2 3.41Å; L772-L809 HydrophobicContact CD2-CG 4.46Å; T805-L809 VanDerWaalsContact O-CG 3.23Å; T805-L809 WeakPolarHBondContact O-CG 3.17Å; T805-L809 PolarHBondContact O-N 2.99Å; G806-L809 PolarHBondContact O-N 2.93Å; L809-S811 VanDerWaalsContact C-N 3.32Å; L809-S811 PolarHBondContact O-N 3.03Å; L809-Q812 PolarHBondContact O-N 3.32Å; L809-A813 PolarHBondContact O-N 3.19Å |
| 810 | A | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L793 L796 G806 K807 T808 A813 L814 | L793-A810 HydrophobicContact CD2-CB 4.05Å; L796-A810 HydrophobicContact CB-CB 3.86Å; G806-A810 WeakPolarHBondContact O-CB 3.29Å; G806-A810 PolarHBondContact O-N 3.45Å; K807-A810 PolarHBondContact O-N 3.43Å; T808-A810 PolarHBondContact O-N 3.02Å; A810-A813 PolarHBondContact O-N 3.32Å; A810-L814 WeakPolarHBondContact O-CG 3.37Å; A810-L814 PolarHBondContact O-N 3.39Å |
| 811 | S | 95.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | K807 T808 L809 A813 L814 A815 P838 | K807-S811 WeakPolarHBondContact O-CB 3.48Å; K807-S811 PolarHBondContact O-N 2.88Å; K807-S811 PolarHBondContact O-OG 2.85Å; T808-S811 WeakPolarHBondContact O-CB 3.38Å; T808-S811 PolarHBondContact O-N 3.4Å; L809-S811 VanDerWaalsContact C-N 3.32Å; L809-S811 PolarHBondContact O-N 3.03Å; S811-A813 PolarHBondContact O-N 3.26Å; S811-L814 WeakPolarHBondContact O-CB 3.31Å; S811-L814 PolarHBondContact O-N 3.44Å; S811-L814 VanDerWaalsContact O-N 3.15Å; S811-A815 PolarHBondContact O-N 3.42Å; S811-P838 WeakPolarHBondContact CB-O 3.06Å |
| 812 | Q | 96.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.6 | -169.8 | 177.2 | 5.2 | 0 | 0 | 111.7 | L772 T808 L809 L814 A815 R816 L842 Q851 E854 | L772-Q812 HydrophobicContact CD1-CB 3.93Å; L772-Q812 HydrophobicContact CD1-CG 3.73Å; T808-Q812 WeakPolarHBondContact O-CB 3.45Å; T808-Q812 PolarHBondContact O-N 3.28Å; L809-Q812 PolarHBondContact O-N 3.32Å; Q812-L814 VanDerWaalsContact C-N 3.34Å; Q812-L814 PolarHBondContact O-N 2.99Å; Q812-A815 WeakPolarHBondContact O-CB 3.41Å; Q812-A815 PolarHBondContact O-N 3.42Å; Q812-R816 PolarHBondContact O-N 3.43Å; Q812-L842 HydrophobicContact CB-CD1 4.45Å; Q812-L842 HydrophobicContact CB-CD2 4.08Å; Q812-Q851 HydrophobicContact CG-CG 4.23Å; Q812-E854 WeakPolarHBondContact CG-OE2 3.39Å; Q812-E854 PolarHBondContact NE2-OE2 3.5Å |
| 813 | A | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L772 L793 L809 A810 S811 A815 R816 L817 | L772-A813 HydrophobicContact CB-CB 4.42Å; L772-A813 HydrophobicContact CD1-CB 4.28Å; L793-A813 HydrophobicContact CD1-CB 3.78Å; L793-A813 HydrophobicContact CD2-CB 3.89Å; L793-A813 HydrophobicContact CG-CB 4.5Å; L809-A813 PolarHBondContact O-N 3.19Å; A810-A813 PolarHBondContact O-N 3.32Å; S811-A813 PolarHBondContact O-N 3.26Å; A813-A815 VanDerWaalsContact C-N 3.35Å; A813-R816 PolarHBondContact O-N 3.27Å; A813-L817 WeakPolarHBondContact O-CG 3.42Å; A813-L817 PolarHBondContact O-N 3.37Å; A813-L817 VanDerWaalsContact O-N 3.13Å |
| 814 | L | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 172.6 | -74.4 | 169.6 | 0 | 0 | 0 | 112.1 | L793 L794 A810 S811 Q812 R816 L817 T818 F827 L835 P838 | L793-L814 HydrophobicContact CB-CD1 4.22Å; L793-L814 HydrophobicContact CB-CD2 3.49Å; L793-L814 VanDerWaalsContact CB-CD2 3.49Å; L793-L814 HydrophobicContact CB-CG 3.63Å; L793-L814 HydrophobicContact CD1-CD2 4.17Å; L793-L814 HydrophobicContact CD1-CG 4.35Å; L793-L814 HydrophobicContact CG-CD2 4.5Å; L794-L814 HydrophobicContact CD2-CD1 4.05Å; L794-L814 HydrophobicContact CG-CD1 4.26Å; L794-L814 HydrophobicContact CG-CD2 4.28Å; A810-L814 WeakPolarHBondContact O-CG 3.37Å; A810-L814 PolarHBondContact O-N 3.39Å; S811-L814 WeakPolarHBondContact O-CB 3.31Å; S811-L814 PolarHBondContact O-N 3.44Å; S811-L814 VanDerWaalsContact O-N 3.15Å; Q812-L814 VanDerWaalsContact C-N 3.34Å; Q812-L814 PolarHBondContact O-N 2.99Å; L814-R816 PolarHBondContact O-N 2.79Å; L814-L817 PolarHBondContact O-N 2.84Å; L814-T818 WeakPolarHBondContact O-CB 3.19Å; L814-T818 PolarHBondContact O-N 3.03Å; L814-T818 PolarHBondContact O-OG1 3.17Å; L814-F827 HydrophobicContact CD2-CE1 3.98Å; L814-F827 HydrophobicContact CD2-CZ 3.81Å; L814-L835 HydrophobicContact CB-CD2 4.48Å; L814-L835 HydrophobicContact CD1-CD2 4.32Å; L814-L835 HydrophobicContact CD2-CD2 4.05Å; L814-P838 HydrophobicContact CD1-CB 4.19Å |
| 815 | A | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58 | -50 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S811 Q812 A813 L817 T818 I819 L839 L842 E854 A858 | S811-A815 PolarHBondContact O-N 3.42Å; Q812-A815 WeakPolarHBondContact O-CB 3.41Å; Q812-A815 PolarHBondContact O-N 3.42Å; A813-A815 VanDerWaalsContact C-N 3.35Å; A815-L817 VanDerWaalsContact C-N 3.33Å; A815-L817 PolarHBondContact O-N 2.68Å; A815-T818 PolarHBondContact O-N 2.86Å; A815-T818 VanDerWaalsContact O-N 3.07Å; A815-I819 VanDerWaalsContact O-CG1 3.23Å; A815-I819 WeakPolarHBondContact O-CG1 3.09Å; A815-I819 PolarHBondContact O-N 2.96Å; A815-L839 HydrophobicContact CB-CD2 3.63Å; A815-L842 HydrophobicContact CB-CD1 3.73Å; A815-E854 HydrophobicContact CB-CB 4.28Å; A815-A858 HydrophobicContact CB-CB 3.91Å |
| 816 | R | 95.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 6% | 0.06 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.4 | -40.6 | 177.4 | -73.1 | 176.3 | 174.5 | 177.4 | -1.3 | 113.8 | L772 S775 E776 R781 Q812 A813 L814 T820 E854 | L772-R816 VanDerWaalsContact CD1-NH1 3.3Å; L772-R816 PolarHBondContact O-NH1 2.73Å; S775-R816 WeakPolarHBondContact OG-CD 3.37Å; E776-R816 IonicContact OE1-NH1 2.79Å; E776-R816 PolarHBondContact OE1-NH1 3.21Å; R781-R816 PolarHBondContact NH1-O 2.89Å; Q812-R816 PolarHBondContact O-N 3.43Å; A813-R816 PolarHBondContact O-N 3.27Å; L814-R816 PolarHBondContact O-N 2.79Å; R816-T820 PolarHBondContact O-OG1 3.35Å; R816-E854 IonicContact CZ-OE1 2.75Å; R816-E854 IonicContact CZ-OE2 2.8Å; R816-E854 IonicContact NE-OE1 3.77Å; R816-E854 PolarHBondContact NE-OE1 3.23Å; R816-E854 IonicContact NE-OE2 3.91Å; R816-E854 PolarHBondContact NE-OE2 2.86Å; R816-E854 IonicContact NH2-OE1 2.85Å; R816-E854 PolarHBondContact NH2-OE1 3.35Å; R816-E854 IonicContact NH2-OE2 2.72Å |
| 817 | L | 93.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.7 | -64.3 | -177.1 | 0 | 0 | 0 | 112 | R781 L784 V785 A789 L793 A813 L814 A815 I819 T820 A821 | R781-L817 HydrophobicContact CB-CD2 3.87Å; R781-L817 HydrophobicContact CG-CD2 4.08Å; L784-L817 HydrophobicContact CB-CD2 4.27Å; L784-L817 HydrophobicContact CD1-CD2 4.29Å; V785-L817 HydrophobicContact CG2-CB 4.47Å; V785-L817 HydrophobicContact CG2-CD1 4.26Å; V785-L817 HydrophobicContact CG2-CD2 4.16Å; A789-L817 HydrophobicContact CB-CD1 4.31Å; L793-L817 HydrophobicContact CD1-CD1 3.81Å; A813-L817 WeakPolarHBondContact O-CG 3.42Å; A813-L817 PolarHBondContact O-N 3.37Å; A813-L817 VanDerWaalsContact O-N 3.13Å; L814-L817 PolarHBondContact O-N 2.84Å; A815-L817 VanDerWaalsContact C-N 3.33Å; A815-L817 PolarHBondContact O-N 2.68Å; L817-I819 VanDerWaalsContact C-N 3.34Å; L817-T820 PolarHBondContact O-N 3.35Å; L817-T820 PolarHBondContact O-OG1 3.11Å; L817-A821 PolarHBondContact O-N 2.79Å |
| 818 | T | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.9 | -29.8 | 180 | -52.3 | 0 | 0 | 0 | 0 | 112.3 | L814 A815 P823 A858 N861 L862 | L814-T818 WeakPolarHBondContact O-CB 3.19Å; L814-T818 PolarHBondContact O-N 3.03Å; L814-T818 PolarHBondContact O-OG1 3.17Å; A815-T818 PolarHBondContact O-N 2.86Å; A815-T818 VanDerWaalsContact O-N 3.07Å; T818-P823 HydrophobicContact CG2-CG 3.88Å; T818-A858 HydrophobicContact CG2-CB 4.1Å; T818-N861 PolarHBondContact O-ND2 3.31Å; T818-N861 VanDerWaalsContact O-ND2 3.16Å; T818-L862 HydrophobicContact CG2-CD2 4.32Å; T818-L862 HydrophobicContact CG2-CG 4.24Å |
| 819 | I | 93 | Very high | 88.7 | Confident | 48 Ų | 48 | 33.5 Ų | 33.5 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -42.6 | 176.7 | -71 | 163.6 | 0 | 0 | 0 | 111.3 | A815 L817 E854 L857 A858 N861 | A815-I819 VanDerWaalsContact O-CG1 3.23Å; A815-I819 WeakPolarHBondContact O-CG1 3.09Å; A815-I819 PolarHBondContact O-N 2.96Å; L817-I819 VanDerWaalsContact C-N 3.34Å; I819-E854 HydrophobicContact CD1-CB 4.15Å; I819-E854 HydrophobicContact CD1-CG 4.36Å; I819-L857 HydrophobicContact CD1-CB 3.92Å; I819-L857 HydrophobicContact CD1-CD1 4.28Å; I819-L857 HydrophobicContact CG1-CB 3.86Å; I819-A858 HydrophobicContact CG1-CB 4.22Å; I819-N861 WeakPolarHBondContact CA-ND2 3.3Å; I819-N861 PolarHBondContact O-ND2 2.81Å |
| 820 | T | 89.5 | Confident | 88 | Confident | 64 Ų | 64 | 40 Ų | 40 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -96.2 | -14.7 | -170.7 | 47.5 | 0 | 0 | 0 | 0 | 115.3 | V778 R781 R816 L817 | V778-T820 HydrophobicContact CG1-CG2 4.14Å; R781-T820 WeakPolarHBondContact CD-OG1 2.8Å; R816-T820 PolarHBondContact O-OG1 3.35Å; L817-T820 PolarHBondContact O-N 3.35Å; L817-T820 PolarHBondContact O-OG1 3.11Å |
| 821 | A | 85.3 | Confident | 87.5 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -133.1 | 142.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L817 P823 T826 | L817-A821 PolarHBondContact O-N 2.79Å; A821-P823 WeakPolarHBondContact O-CD 3.21Å; A821-T826 HydrophobicContact CB-CG2 3.42Å; A821-T826 VanDerWaalsContact CB-CG2 3.42Å |
| 822 | D | 85.4 | Confident | 87.1 | Confident | 58 Ų | 58 | 44.5 Ų | 44.5 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | trans | -57.4 | 121.3 | -179.3 | -172.5 | -26.9 | 0 | 0 | 0 | 110.1 | R824 V825 T826 | D822-R824 PolarHBondContact O-N 2.94Å; D822-R824 VanDerWaalsContact O-N 3.13Å; D822-R824 VanDerWaalsContact OD1-CB 3.27Å; D822-R824 WeakPolarHBondContact OD1-CB 3.45Å; D822-R824 WeakPolarHBondContact OD1-CG 3.47Å; D822-R824 PolarHBondContact OD1-N 3.44Å; D822-R824 IonicContact OD1-NE 2.69Å; D822-R824 PolarHBondContact OD1-NE 2.9Å; D822-R824 IonicContact OD2-CZ 3.97Å; D822-R824 VanDerWaalsContact OD2-CZ 3.31Å; D822-R824 IonicContact OD2-NE 2.63Å; D822-R824 PolarHBondContact OD2-NE 3.25Å; D822-R824 IonicContact OD2-NH2 2.79Å; D822-R824 PolarHBondContact OD2-NH2 2.89Å; D822-V825 HydrophobicContact CB-CG2 4.24Å; D822-V825 PolarHBondContact O-N 3.38Å; D822-T826 PolarHBondContact O-N 3.26Å; D822-T826 PolarHBondContact O-OG1 2.65Å | ||
| 823 | P | 84.8 | Confident | 86.7 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.3 | -27 | 178.2 | -25.1 | 34.4 | 0 | 0 | 0 | 113.8 | T818 A821 V825 T826 F827 L862 L865 | T818-P823 HydrophobicContact CG2-CG 3.88Å; A821-P823 WeakPolarHBondContact O-CD 3.21Å; P823-V825 VanDerWaalsContact C-N 3.31Å; P823-V825 PolarHBondContact O-N 3.39Å; P823-T826 WeakPolarHBondContact CA-OG1 3.48Å; P823-T826 PolarHBondContact O-OG1 3.48Å; P823-F827 CarbonylContact O-C 3.59Å; P823-F827 WeakPolarHBondContact O-CA 3.47Å; P823-F827 PolarHBondContact O-N 3.27Å; P823-L862 HydrophobicContact CB-CD2 3.63Å; P823-L862 HydrophobicContact CG-CD2 3.79Å; P823-L865 HydrophobicContact CB-CD1 3.74Å; P823-L865 HydrophobicContact CG-CD1 4.01Å |
| 824 | R | 81.9 | Confident | 86.4 | Confident | 161 Ų | 161 | 50.1 Ų | 50.1 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.7 | -29.7 | 178.4 | -63.1 | 175.9 | -69.2 | -169 | 0.8 | 112.7 | D822 L865 | D822-R824 PolarHBondContact O-N 2.94Å; D822-R824 VanDerWaalsContact O-N 3.13Å; D822-R824 VanDerWaalsContact OD1-CB 3.27Å; D822-R824 WeakPolarHBondContact OD1-CB 3.45Å; D822-R824 WeakPolarHBondContact OD1-CG 3.47Å; D822-R824 PolarHBondContact OD1-N 3.44Å; D822-R824 IonicContact OD1-NE 2.69Å; D822-R824 PolarHBondContact OD1-NE 2.9Å; D822-R824 IonicContact OD2-CZ 3.97Å; D822-R824 VanDerWaalsContact OD2-CZ 3.31Å; D822-R824 IonicContact OD2-NE 2.63Å; D822-R824 PolarHBondContact OD2-NE 3.25Å; D822-R824 IonicContact OD2-NH2 2.79Å; D822-R824 PolarHBondContact OD2-NH2 2.89Å; R824-L865 HydrophobicContact CG-CD1 4.46Å; R824-L865 HydrophobicContact CG-CD2 4.03Å |
| 825 | V | 82.1 | Confident | 86.3 | Confident | 116 Ų | 116 | 50.1 Ų | 50.1 | 70% | 0.703 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -90.3 | -44.8 | 179 | -179 | 0 | 0 | 0 | 0 | 110.6 | D822 P823 | D822-V825 HydrophobicContact CB-CG2 4.24Å; D822-V825 PolarHBondContact O-N 3.38Å; P823-V825 VanDerWaalsContact C-N 3.31Å; P823-V825 PolarHBondContact O-N 3.39Å |
| 826 | T | 76.6 | Confident | 86.2 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.2 | -35.5 | -178.8 | 43.6 | 0 | 0 | 0 | 0 | 112.7 | V785 A821 D822 P823 | V785-T826 HydrophobicContact CB-CG2 4.31Å; V785-T826 HydrophobicContact CG1-CG2 3.6Å; V785-T826 HydrophobicContact CG2-CG2 3.77Å; A821-T826 HydrophobicContact CB-CG2 3.42Å; A821-T826 VanDerWaalsContact CB-CG2 3.42Å; D822-T826 PolarHBondContact O-N 3.26Å; D822-T826 PolarHBondContact O-OG1 2.65Å; P823-T826 WeakPolarHBondContact CA-OG1 3.48Å; P823-T826 PolarHBondContact O-OG1 3.48Å |
| 827 | F | 83.2 | Confident | 86 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -133.7 | 73.6 | -175.6 | -54.4 | -85.9 | 0 | 0 | 0 | 111.6 | G790 L794 L814 P823 K831 S832 L835 | G790-F827 VanDerWaalsContact CA-CE1 3.46Å; L794-F827 HydrophobicContact CD1-CD1 3.75Å; L794-F827 HydrophobicContact CD1-CE1 3.9Å; L794-F827 HydrophobicContact CG-CE1 4.29Å; L814-F827 HydrophobicContact CD2-CE1 3.98Å; L814-F827 HydrophobicContact CD2-CZ 3.81Å; P823-F827 CarbonylContact O-C 3.59Å; P823-F827 WeakPolarHBondContact O-CA 3.47Å; P823-F827 PolarHBondContact O-N 3.27Å; F827-K831 HydrophobicContact CB-CB 4.27Å; F827-S832 WeakPolarHBondContact O-CB 3.48Å; F827-S832 PolarHBondContact O-N 3.11Å; F827-L835 HydrophobicContact CB-CD1 4.34Å; F827-L835 HydrophobicContact CD1-CD1 4.4Å; F827-L835 HydrophobicContact CD1-CD2 4.17Å; F827-L835 HydrophobicContact CD1-CG 4.5Å; F827-L835 HydrophobicContact CD2-CD1 3.5Å; F827-L835 HydrophobicContact CD2-CD2 4.36Å; F827-L835 HydrophobicContact CD2-CG 4.39Å; F827-L835 HydrophobicContact CE1-CD2 3.81Å; F827-L835 HydrophobicContact CE2-CD1 3.77Å; F827-L835 HydrophobicContact CE2-CD2 4.02Å; F827-L835 HydrophobicContact CE2-CG 4.49Å; F827-L835 HydrophobicContact CG-CD1 3.85Å; F827-L835 HydrophobicContact CG-CD2 4.43Å; F827-L835 HydrophobicContact CG-CG 4.39Å; F827-L835 HydrophobicContact CZ-CD1 4.33Å; F827-L835 HydrophobicContact CZ-CD2 3.74Å |
| 828 | P | 77.1 | Confident | 86 | Confident | 79 Ų | 79 | 57.2 Ų | 57.2 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 143 | -172.3 | 25.8 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 829 | G | 76.8 | Confident | 86.2 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 65% | 0.649 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | 69.6 | -142 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K831 S832 | G829-K831 PolarHBondContact O-N 2.99Å; G829-K831 VanDerWaalsContact O-N 3.13Å; G829-S832 PolarHBondContact O-N 3.46Å; G829-S832 PolarHBondContact O-OG 3.17Å |
| 830 | Q | 80.2 | Confident | 86.2 | Confident | 165 Ų | 165 | 55.3 Ų | 55.3 | 77% | 0.771 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -64.5 | -15.1 | -177.1 | -68.7 | -176.7 | -6.9 | 0 | 0 | 113.8 | S832 L833 | Q830-S832 VanDerWaalsContact C-N 3.27Å; Q830-S832 PolarHBondContact O-N 2.98Å; Q830-L833 WeakPolarHBondContact O-CB 3.41Å; Q830-L833 PolarHBondContact O-N 3.3Å; Q830-L833 VanDerWaalsContact O-N 3.1Å |
| 831 | K | 83.2 | Confident | 86.3 | Confident | 89 Ų | 89 | 56 Ų | 56 | 39% | 0.387 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -63.8 | -30.2 | 178.7 | -68.1 | 179.9 | -178 | 168.9 | 0 | 113.2 | F827 G829 L833 E834 | F827-K831 HydrophobicContact CB-CB 4.27Å; G829-K831 PolarHBondContact O-N 2.99Å; G829-K831 VanDerWaalsContact O-N 3.13Å; K831-L833 PolarHBondContact O-N 2.75Å; K831-E834 VanDerWaalsContact O-CB 3.3Å; K831-E834 WeakPolarHBondContact O-CB 3.26Å; K831-E834 PolarHBondContact O-N 2.84Å; K831-E834 VanDerWaalsContact O-N 3.09Å |
| 832 | S | 87 | Confident | 86.7 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -62.7 | -30.4 | 175.2 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | F827 G829 Q830 E834 L835 H869 | F827-S832 WeakPolarHBondContact O-CB 3.48Å; F827-S832 PolarHBondContact O-N 3.11Å; G829-S832 PolarHBondContact O-N 3.46Å; G829-S832 PolarHBondContact O-OG 3.17Å; Q830-S832 VanDerWaalsContact C-N 3.27Å; Q830-S832 PolarHBondContact O-N 2.98Å; S832-E834 VanDerWaalsContact C-N 3.26Å; S832-E834 PolarHBondContact O-N 2.88Å; S832-L835 WeakPolarHBondContact O-CB 3.49Å; S832-L835 PolarHBondContact O-N 3.31Å; S832-H869 PolarHBondContact OG-NE2 3.46Å |
| 833 | L | 88.1 | Confident | 87 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -73.4 | -20.1 | 176.2 | -58 | 175.1 | 0 | 0 | 0 | 112.7 | Q830 K831 L835 R872 | Q830-L833 WeakPolarHBondContact O-CB 3.41Å; Q830-L833 PolarHBondContact O-N 3.3Å; Q830-L833 VanDerWaalsContact O-N 3.1Å; K831-L833 PolarHBondContact O-N 2.75Å; L833-L835 VanDerWaalsContact C-N 3.28Å; L833-R872 HydrophobicContact CB-CG 4.28Å; L833-R872 HydrophobicContact CD2-CB 4.17Å; L833-R872 HydrophobicContact CD2-CG 4.4Å |
| 834 | E | 89.4 | Confident | 87.2 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -75.1 | -17.5 | 177.6 | -70.2 | -174.2 | -136.5 | 0 | 0 | 113.4 | L794 K798 K831 S832 V836 P838 | L794-E834 HydrophobicContact CD2-CB 4.19Å; K798-E834 VanDerWaalsContact NZ-CB 3.31Å; K798-E834 IonicContact NZ-OE2 3.97Å; K798-E834 PolarHBondContact NZ-OE2 3.11Å; K831-E834 VanDerWaalsContact O-CB 3.3Å; K831-E834 WeakPolarHBondContact O-CB 3.26Å; K831-E834 PolarHBondContact O-N 2.84Å; K831-E834 VanDerWaalsContact O-N 3.09Å; S832-E834 VanDerWaalsContact C-N 3.26Å; S832-E834 PolarHBondContact O-N 2.88Å; E834-V836 VanDerWaalsContact C-N 3.3Å; E834-P838 WeakPolarHBondContact O-CD 3.37Å |
| 835 | L | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -71.3 | -25.3 | 177.8 | -65.7 | 167.1 | 0 | 0 | 0 | 113 | L794 L814 F827 S832 L833 R837 P838 L839 L862 | L794-L835 HydrophobicContact CD1-CD2 4.45Å; L794-L835 HydrophobicContact CD2-CD2 3.81Å; L794-L835 HydrophobicContact CD2-CG 4.44Å; L794-L835 HydrophobicContact CG-CD2 4.21Å; L814-L835 HydrophobicContact CB-CD2 4.48Å; L814-L835 HydrophobicContact CD1-CD2 4.32Å; L814-L835 HydrophobicContact CD2-CD2 4.05Å; F827-L835 HydrophobicContact CB-CD1 4.34Å; F827-L835 HydrophobicContact CD1-CD1 4.4Å; F827-L835 HydrophobicContact CD1-CD2 4.17Å; F827-L835 HydrophobicContact CD1-CG 4.5Å; F827-L835 HydrophobicContact CD2-CD1 3.5Å; F827-L835 HydrophobicContact CD2-CD2 4.36Å; F827-L835 HydrophobicContact CD2-CG 4.39Å; F827-L835 HydrophobicContact CE1-CD2 3.81Å; F827-L835 HydrophobicContact CE2-CD1 3.77Å; F827-L835 HydrophobicContact CE2-CD2 4.02Å; F827-L835 HydrophobicContact CE2-CG 4.49Å; F827-L835 HydrophobicContact CG-CD1 3.85Å; F827-L835 HydrophobicContact CG-CD2 4.43Å; F827-L835 HydrophobicContact CG-CG 4.39Å; F827-L835 HydrophobicContact CZ-CD1 4.33Å; F827-L835 HydrophobicContact CZ-CD2 3.74Å; S832-L835 WeakPolarHBondContact O-CB 3.49Å; S832-L835 PolarHBondContact O-N 3.31Å; L833-L835 VanDerWaalsContact C-N 3.28Å; L835-R837 VanDerWaalsContact C-N 3.33Å; L835-R837 PolarHBondContact O-N 3Å; L835-P838 VanDerWaalsContact O-CD 3.32Å; L835-P838 WeakPolarHBondContact O-CD 3.29Å; L835-L839 HydrophobicContact CB-CD1 4.11Å; L835-L839 WeakPolarHBondContact O-CB 3.47Å; L835-L839 VanDerWaalsContact O-CG 3.24Å; L835-L839 WeakPolarHBondContact O-CG 3.4Å; L835-L839 PolarHBondContact O-N 2.99Å; L835-L862 HydrophobicContact CB-CD1 3.82Å; L835-L862 HydrophobicContact CD1-CD1 4.32Å; L835-L862 HydrophobicContact CD1-CD2 4.01Å |
| 836 | V | 93 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.4 | -48 | -173.6 | 172 | 0 | 0 | 0 | 0 | 111.5 | E834 L839 L840 L862 R872 I873 E876 | E834-V836 VanDerWaalsContact C-N 3.3Å; V836-L839 PolarHBondContact O-N 2.9Å; V836-L840 HydrophobicContact CG1-CD1 3.81Å; V836-L840 HydrophobicContact CG1-CG 4.36Å; V836-L840 WeakPolarHBondContact O-CB 3.27Å; V836-L840 VanDerWaalsContact O-CG 3.28Å; V836-L840 WeakPolarHBondContact O-CG 3.35Å; V836-L840 PolarHBondContact O-N 3.48Å; V836-L862 HydrophobicContact CG2-CD1 4.49Å; V836-R872 HydrophobicContact CB-CG 4.12Å; V836-R872 HydrophobicContact CG1-CG 4.32Å; V836-R872 HydrophobicContact CG2-CB 4.21Å; V836-R872 HydrophobicContact CG2-CG 3.77Å; V836-I873 HydrophobicContact CG1-CB 4.36Å; V836-I873 HydrophobicContact CG1-CG1 3.91Å; V836-I873 HydrophobicContact CG2-CG1 4.03Å; V836-E876 HydrophobicContact CG1-CB 4.18Å; V836-E876 HydrophobicContact CG1-CG 4.25Å |
| 837 | R | 92.4 | Very high | 87.7 | Confident | 159 Ų | 159 | 51.8 Ų | 51.8 | 60% | 0.6 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -68.1 | -48.5 | -176.5 | -177.4 | 172.9 | 178.2 | 177 | -2.2 | 113 | L835 L839 L840 H841 | L835-R837 VanDerWaalsContact C-N 3.33Å; L835-R837 PolarHBondContact O-N 3Å; R837-L839 VanDerWaalsContact C-N 3.29Å; R837-L839 PolarHBondContact O-N 3.4Å; R837-L840 PolarHBondContact O-N 2.96Å; R837-H841 PolarHBondContact O-N 3.19Å; R837-H841 VanDerWaalsContact O-N 3.11Å |
| 838 | P | 93.6 | Very high | 88 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.7 | -37.5 | 171.1 | -28.4 | 35.3 | 0 | 0 | 0 | 114.4 | L794 S797 S811 L814 E834 L835 H841 | L794-P838 HydrophobicContact CD2-CG 4.48Å; S797-P838 WeakPolarHBondContact OG-CG 3.48Å; S811-P838 WeakPolarHBondContact CB-O 3.06Å; L814-P838 HydrophobicContact CD1-CB 4.19Å; E834-P838 WeakPolarHBondContact O-CD 3.37Å; L835-P838 VanDerWaalsContact O-CD 3.32Å; L835-P838 WeakPolarHBondContact O-CD 3.29Å; P838-H841 WeakPolarHBondContact O-CB 3.47Å; P838-H841 PolarHBondContact O-N 2.76Å |
| 839 | L | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.7 | -36 | -180 | -66.7 | 175.6 | 0 | 0 | 0 | 112.6 | A815 L835 V836 R837 H841 L842 A858 L859 L862 | A815-L839 HydrophobicContact CB-CD2 3.63Å; L835-L839 HydrophobicContact CB-CD1 4.11Å; L835-L839 WeakPolarHBondContact O-CB 3.47Å; L835-L839 VanDerWaalsContact O-CG 3.24Å; L835-L839 WeakPolarHBondContact O-CG 3.4Å; L835-L839 PolarHBondContact O-N 2.99Å; V836-L839 PolarHBondContact O-N 2.9Å; R837-L839 VanDerWaalsContact C-N 3.29Å; R837-L839 PolarHBondContact O-N 3.4Å; L839-H841 VanDerWaalsContact C-N 3.27Å; L839-H841 PolarHBondContact O-N 3.44Å; L839-L842 HydrophobicContact CD2-CD1 4.32Å; L839-L842 WeakPolarHBondContact O-CB 3.47Å; L839-L842 PolarHBondContact O-N 3.31Å; L839-A858 HydrophobicContact CD1-CB 3.82Å; L839-A858 HydrophobicContact CD2-CB 3.66Å; L839-A858 HydrophobicContact CG-CB 4.36Å; L839-L859 HydrophobicContact CB-CD2 3.6Å; L839-L859 HydrophobicContact CB-CG 3.91Å; L839-L859 HydrophobicContact CD1-CD2 3.9Å; L839-L859 HydrophobicContact CD1-CG 4.47Å; L839-L859 HydrophobicContact CG-CD2 4.43Å; L839-L862 HydrophobicContact CD1-CD1 3.42Å; L839-L862 VanDerWaalsContact CD1-CD1 3.42Å; L839-L862 HydrophobicContact CD1-CG 4.38Å |
| 840 | L | 93.7 | Very high | 89.2 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 172.2 | -73.9 | 173.8 | 0 | 0 | 0 | 112.2 | V836 R837 L842 I843 L859 E876 G878 L881 | V836-L840 HydrophobicContact CG1-CD1 3.81Å; V836-L840 HydrophobicContact CG1-CG 4.36Å; V836-L840 WeakPolarHBondContact O-CB 3.27Å; V836-L840 VanDerWaalsContact O-CG 3.28Å; V836-L840 WeakPolarHBondContact O-CG 3.35Å; V836-L840 PolarHBondContact O-N 3.48Å; R837-L840 PolarHBondContact O-N 2.96Å; L840-L842 PolarHBondContact O-N 3.02Å; L840-I843 PolarHBondContact O-N 3.07Å; L840-L859 HydrophobicContact CD2-CD1 3.65Å; L840-L859 HydrophobicContact CG-CD1 4.28Å; L840-E876 HydrophobicContact CD1-CB 3.9Å; L840-G878 VanDerWaalsContact CD2-CA 3.44Å; L840-L881 HydrophobicContact CB-CD1 4.19Å; L840-L881 HydrophobicContact CD2-CD1 4.29Å |
| 841 | H | 91.6 | Very high | 89.9 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.8 | -36.8 | 173.9 | -178.3 | 81.8 | 0 | 0 | 0 | 112.4 | T808 R837 P838 L839 I843 H844 C847 | T808-H841 PolarHBondContact OG1-NE2 3.09Å; R837-H841 PolarHBondContact O-N 3.19Å; R837-H841 VanDerWaalsContact O-N 3.11Å; P838-H841 WeakPolarHBondContact O-CB 3.47Å; P838-H841 PolarHBondContact O-N 2.76Å; L839-H841 VanDerWaalsContact C-N 3.27Å; L839-H841 PolarHBondContact O-N 3.44Å; H841-I843 PolarHBondContact O-N 3.23Å; H841-H844 WeakPolarHBondContact O-CB 3.2Å; H841-H844 PolarHBondContact O-N 3.16Å; H841-C847 PolarHBondContact O-SG 3.22Å; H841-C847 VanDerWaalsContact O-SG 3.35Å |
| 842 | L | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.9 | 178 | -63.5 | 176.7 | 0 | 0 | 0 | 114.4 | T808 Q812 A815 L839 L840 C847 Q851 N852 | T808-L842 HydrophobicContact CG2-CD2 4.01Å; Q812-L842 HydrophobicContact CB-CD1 4.45Å; Q812-L842 HydrophobicContact CB-CD2 4.08Å; A815-L842 HydrophobicContact CB-CD1 3.73Å; L839-L842 HydrophobicContact CD2-CD1 4.32Å; L839-L842 WeakPolarHBondContact O-CB 3.47Å; L839-L842 PolarHBondContact O-N 3.31Å; L840-L842 PolarHBondContact O-N 3.02Å; L842-C847 WeakPolarHBondContact O-CB 3.46Å; L842-Q851 HydrophobicContact CD2-CB 4.29Å; L842-Q851 HydrophobicContact CD2-CG 4.41Å; L842-Q851 CarbonylContact O-C 3.34Å; L842-N852 VanDerWaalsContact O-CA 3.31Å; L842-N852 WeakPolarHBondContact O-CA 3.33Å; L842-N852 PolarHBondContact O-N 3.06Å; L842-N852 PolarHBondContact O-ND2 3.26Å |
| 843 | I | 91.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -1 | -177.7 | -57.9 | 172.2 | 0 | 0 | 0 | 110 | L840 H841 L856 L859 L881 C885 | L840-I843 PolarHBondContact O-N 3.07Å; H841-I843 PolarHBondContact O-N 3.23Å; I843-L856 HydrophobicContact CD1-CD2 3.76Å; I843-L856 HydrophobicContact CD1-CG 4.05Å; I843-L856 HydrophobicContact CG1-CD2 4.34Å; I843-L856 HydrophobicContact CG1-CG 4.21Å; I843-L856 HydrophobicContact CG2-CD2 4.28Å; I843-L859 HydrophobicContact CD1-CD1 3.19Å; I843-L859 HydrophobicContact CD1-CG 4.04Å; I843-L881 HydrophobicContact CG2-CB 4.01Å; I843-C885 WeakPolarHBondContact CG2-SG 3.4Å |
| 844 | H | 88.5 | Confident | 91.2 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 37% | 0.366 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -63.9 | 150 | 173.8 | -159.1 | -98.6 | 0 | 0 | 0 | 111.6 | H841 D846 C847 N852 | H841-H844 WeakPolarHBondContact O-CB 3.2Å; H841-H844 PolarHBondContact O-N 3.16Å; H844-D846 IonicContact CE1-OD2 3.17Å; H844-D846 PolarHBondContact CE1-OD2 2.7Å; H844-D846 PolarHBondContact ND1-N 3.03Å; H844-D846 IonicContact ND1-OD2 3.62Å; H844-D846 PolarHBondContact ND1-OD2 3.28Å; H844-D846 PolarHBondContact O-N 3.22Å; H844-C847 WeakPolarHBondContact O-CB 3.17Å; H844-C847 PolarHBondContact O-N 3.17Å; H844-N852 PolarHBondContact O-ND2 3.41Å; H844-N852 VanDerWaalsContact O-ND2 3.13Å |
| 845 | A | 80.4 | Confident | 91.5 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 53% | 0.529 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C847 | A845-C847 VanDerWaalsContact C-N 3.3Š|
| 846 | D | 82.7 | Confident | 91.7 | Very high | 140 Ų | 140 | 41.6 Ų | 41.6 | 75% | 0.749 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -11.1 | 177.2 | -55.8 | -38 | 0 | 0 | 0 | 113 | H844 | H844-D846 IonicContact CE1-OD2 3.17Å; H844-D846 PolarHBondContact CE1-OD2 2.7Å; H844-D846 PolarHBondContact ND1-N 3.03Å; H844-D846 IonicContact ND1-OD2 3.62Å; H844-D846 PolarHBondContact ND1-OD2 3.28Å; H844-D846 PolarHBondContact O-N 3.22Å |
| 847 | C | 87.7 | Confident | 91.8 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -82.7 | 156.6 | 176.2 | -68.5 | 0 | 0 | 0 | 0 | 110.7 | H841 L842 H844 A845 Q851 N852 | H841-C847 PolarHBondContact O-SG 3.22Å; H841-C847 VanDerWaalsContact O-SG 3.35Å; L842-C847 WeakPolarHBondContact O-CB 3.46Å; H844-C847 WeakPolarHBondContact O-CB 3.17Å; H844-C847 PolarHBondContact O-N 3.17Å; A845-C847 VanDerWaalsContact C-N 3.3Å; C847-Q851 HydrophobicContact CB-CB 4Å; C847-N852 PolarHBondContact O-OD1 3.22Å |
| 848 | N | 89.5 | Confident | 91.9 | Very high | 81 Ų | 81 | 36.1 Ų | 36.1 | 43% | 0.433 | 20% | 0.201 | S | C | . | . | trans | -77.6 | 161.6 | 176.9 | 66.1 | 42.2 | 0 | 0 | 0 | 112 | L850 Q851 N852 | N848-L850 PolarHBondContact O-N 3.22Å; N848-L850 VanDerWaalsContact O-N 3.13Å; N848-L850 PolarHBondContact OD1-N 3.33Å; N848-Q851 PolarHBondContact ND2-OE1 3.29Å; N848-Q851 WeakPolarHBondContact O-CB 3.37Å; N848-Q851 PolarHBondContact O-N 3.13Å; N848-Q851 WeakPolarHBondContact OD1-CB 3.36Å; N848-Q851 WeakPolarHBondContact OD1-CG 3.39Å; N848-Q851 PolarHBondContact OD1-N 2.9Å; N848-N852 PolarHBondContact O-N 3.12Å; N848-N852 PolarHBondContact O-OD1 3.06Å; N848-N852 VanDerWaalsContact O-OD1 3.12Å | ||
| 849 | A | 89.6 | Confident | 92 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 41% | 0.405 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55 | -36.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N852 F853 I893 | A849-N852 PolarHBondContact O-N 3.49Å; A849-F853 WeakPolarHBondContact O-CB 3.4Å; A849-F853 PolarHBondContact O-N 3.32Å; A849-I893 HydrophobicContact CB-CD1 3.98Å |
| 850 | L | 91.5 | Very high | 92 | Very high | 90 Ų | 90 | 36 Ų | 36 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 177.4 | 180 | 62.4 | 0 | 0 | 0 | 111.6 | N848 F853 E854 | N848-L850 PolarHBondContact O-N 3.22Å; N848-L850 VanDerWaalsContact O-N 3.13Å; N848-L850 PolarHBondContact OD1-N 3.33Å; L850-F853 PolarHBondContact O-N 3.27Å; L850-E854 HydrophobicContact CD1-CG 4.26Å; L850-E854 WeakPolarHBondContact O-CB 3.48Å; L850-E854 WeakPolarHBondContact O-CG 3.38Å; L850-E854 PolarHBondContact O-N 3.32Å |
| 851 | Q | 94.1 | Very high | 92 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.6 | -75.1 | 163 | -11.5 | 0 | 0 | 111.2 | Q812 L842 C847 N848 F853 E854 G855 | Q812-Q851 HydrophobicContact CG-CG 4.23Å; L842-Q851 HydrophobicContact CD2-CB 4.29Å; L842-Q851 HydrophobicContact CD2-CG 4.41Å; L842-Q851 CarbonylContact O-C 3.34Å; C847-Q851 HydrophobicContact CB-CB 4Å; N848-Q851 PolarHBondContact ND2-OE1 3.29Å; N848-Q851 WeakPolarHBondContact O-CB 3.37Å; N848-Q851 PolarHBondContact O-N 3.13Å; N848-Q851 WeakPolarHBondContact OD1-CB 3.36Å; N848-Q851 WeakPolarHBondContact OD1-CG 3.39Å; N848-Q851 PolarHBondContact OD1-N 2.9Å; Q851-F853 VanDerWaalsContact C-N 3.33Å; Q851-F853 PolarHBondContact O-N 2.79Å; Q851-E854 PolarHBondContact O-N 3.28Å; Q851-G855 PolarHBondContact O-N 3.38Å |
| 852 | N | 94.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 8% | 0.08 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.7 | -58.2 | 132.5 | 0 | 0 | 0 | 110.9 | L842 H844 C847 N848 A849 G855 L856 I893 | L842-N852 VanDerWaalsContact O-CA 3.31Å; L842-N852 WeakPolarHBondContact O-CA 3.33Å; L842-N852 PolarHBondContact O-N 3.06Å; L842-N852 PolarHBondContact O-ND2 3.26Å; H844-N852 PolarHBondContact O-ND2 3.41Å; H844-N852 VanDerWaalsContact O-ND2 3.13Å; C847-N852 PolarHBondContact O-OD1 3.22Å; N848-N852 PolarHBondContact O-N 3.12Å; N848-N852 PolarHBondContact O-OD1 3.06Å; N848-N852 VanDerWaalsContact O-OD1 3.12Å; A849-N852 PolarHBondContact O-N 3.49Å; N852-G855 PolarHBondContact O-N 3.11Å; N852-L856 WeakPolarHBondContact O-CB 3.39Å; N852-L856 VanDerWaalsContact O-CG 3.27Å; N852-L856 WeakPolarHBondContact O-CG 3.44Å; N852-L856 PolarHBondContact O-N 3.43Å; N852-I893 HydrophobicContact CB-CD1 4.14Å |
| 853 | F | 95.6 | Very high | 92.1 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 20% | 0.202 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -49 | 179.6 | -178.9 | -109.7 | 0 | 0 | 0 | 112.5 | A849 L850 Q851 G855 L856 L857 M892 I893 A896 | A849-F853 WeakPolarHBondContact O-CB 3.4Å; A849-F853 PolarHBondContact O-N 3.32Å; L850-F853 PolarHBondContact O-N 3.27Å; Q851-F853 VanDerWaalsContact C-N 3.33Å; Q851-F853 PolarHBondContact O-N 2.79Å; F853-G855 PolarHBondContact O-N 3.24Å; F853-L856 PolarHBondContact O-N 3.47Å; F853-L857 HydrophobicContact CD1-CD1 4.05Å; F853-L857 HydrophobicContact CE1-CD1 3.47Å; F853-L857 VanDerWaalsContact CE1-CD1 3.47Å; F853-L857 HydrophobicContact CE1-CG 4.29Å; F853-L857 HydrophobicContact CE2-CD1 4.25Å; F853-L857 HydrophobicContact CE2-CD2 4.41Å; F853-L857 HydrophobicContact CE2-CG 4.27Å; F853-L857 HydrophobicContact CZ-CD1 3.59Å; F853-L857 HydrophobicContact CZ-CD2 4.32Å; F853-L857 HydrophobicContact CZ-CG 4.09Å; F853-L857 WeakPolarHBondContact O-CG 3.3Å; F853-L857 PolarHBondContact O-N 3.44Å; F853-M892 HydrophobicContact CD2-CB 3.9Å; F853-M892 WeakPolarHBondContact CD2-O 3.4Å; F853-M892 HydrophobicContact CE2-CB 3.66Å; F853-M892 HydrophobicContact CE2-CE 4.39Å; F853-M892 WeakPolarHBondContact CE2-O 3.29Å; F853-M892 HydrophobicContact CZ-CB 4.34Å; F853-M892 HydrophobicContact CZ-CE 3.93Å; F853-I893 HydrophobicContact CB-CG1 4.23Å; F853-A896 HydrophobicContact CD2-CB 4.08Å; F853-A896 HydrophobicContact CE2-CB 4.03Å |
| 854 | E | 95.2 | Very high | 92.2 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 177.9 | -71.3 | -179.6 | 154.3 | 0 | 0 | 111.8 | Q812 A815 R816 I819 L850 Q851 L857 A858 | Q812-E854 WeakPolarHBondContact CG-OE2 3.39Å; Q812-E854 PolarHBondContact NE2-OE2 3.5Å; A815-E854 HydrophobicContact CB-CB 4.28Å; R816-E854 IonicContact CZ-OE1 2.75Å; R816-E854 IonicContact CZ-OE2 2.8Å; R816-E854 IonicContact NE-OE1 3.77Å; R816-E854 PolarHBondContact NE-OE1 3.23Å; R816-E854 IonicContact NE-OE2 3.91Å; R816-E854 PolarHBondContact NE-OE2 2.86Å; R816-E854 IonicContact NH2-OE1 2.85Å; R816-E854 PolarHBondContact NH2-OE1 3.35Å; R816-E854 IonicContact NH2-OE2 2.72Å; I819-E854 HydrophobicContact CD1-CB 4.15Å; I819-E854 HydrophobicContact CD1-CG 4.36Å; L850-E854 HydrophobicContact CD1-CG 4.26Å; L850-E854 WeakPolarHBondContact O-CB 3.48Å; L850-E854 WeakPolarHBondContact O-CG 3.38Å; L850-E854 PolarHBondContact O-N 3.32Å; Q851-E854 PolarHBondContact O-N 3.28Å; E854-L857 PolarHBondContact O-N 2.98Å; E854-A858 WeakPolarHBondContact O-CB 3.46Å; E854-A858 PolarHBondContact O-N 3.29Å |
| 855 | G | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q851 N852 F853 A858 L859 | Q851-G855 PolarHBondContact O-N 3.38Å; N852-G855 PolarHBondContact O-N 3.11Å; F853-G855 PolarHBondContact O-N 3.24Å; G855-A858 PolarHBondContact O-N 2.96Å; G855-L859 PolarHBondContact O-N 3.35Å |
| 856 | L | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 177.1 | -75.2 | 166.6 | 0 | 0 | 0 | 112.1 | I843 N852 F853 A858 L859 T860 C885 I893 A896 A897 | I843-L856 HydrophobicContact CD1-CD2 3.76Å; I843-L856 HydrophobicContact CD1-CG 4.05Å; I843-L856 HydrophobicContact CG1-CD2 4.34Å; I843-L856 HydrophobicContact CG1-CG 4.21Å; I843-L856 HydrophobicContact CG2-CD2 4.28Å; N852-L856 WeakPolarHBondContact O-CB 3.39Å; N852-L856 VanDerWaalsContact O-CG 3.27Å; N852-L856 WeakPolarHBondContact O-CG 3.44Å; N852-L856 PolarHBondContact O-N 3.43Å; F853-L856 PolarHBondContact O-N 3.47Å; L856-A858 VanDerWaalsContact C-N 3.27Å; L856-A858 PolarHBondContact O-N 2.91Å; L856-L859 PolarHBondContact O-N 2.85Å; L856-L859 VanDerWaalsContact O-N 3.14Å; L856-T860 PolarHBondContact O-N 2.93Å; L856-T860 PolarHBondContact O-OG1 2.92Å; L856-C885 HydrophobicContact CD1-CB 3.91Å; L856-C885 HydrophobicContact CD2-CB 4.49Å; L856-I893 HydrophobicContact CD1-CG2 3.74Å; L856-A896 HydrophobicContact CB-CB 3.87Å; L856-A896 HydrophobicContact CD1-CB 4.32Å; L856-A897 HydrophobicContact CD1-CB 4.11Å; L856-A897 HydrophobicContact CD2-CB 4.16Å |
| 857 | L | 95.1 | Very high | 93.1 | Very high | 44 Ų | 44 | 30.9 Ų | 30.9 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.1 | -41.4 | 177.5 | -71.5 | -180 | 0 | 0 | 0 | 112.1 | I819 F853 E854 T860 N861 A896 | I819-L857 HydrophobicContact CD1-CB 3.92Å; I819-L857 HydrophobicContact CD1-CD1 4.28Å; I819-L857 HydrophobicContact CG1-CB 3.86Å; F853-L857 HydrophobicContact CD1-CD1 4.05Å; F853-L857 HydrophobicContact CE1-CD1 3.47Å; F853-L857 VanDerWaalsContact CE1-CD1 3.47Å; F853-L857 HydrophobicContact CE1-CG 4.29Å; F853-L857 HydrophobicContact CE2-CD1 4.25Å; F853-L857 HydrophobicContact CE2-CD2 4.41Å; F853-L857 HydrophobicContact CE2-CG 4.27Å; F853-L857 HydrophobicContact CZ-CD1 3.59Å; F853-L857 HydrophobicContact CZ-CD2 4.32Å; F853-L857 HydrophobicContact CZ-CG 4.09Å; F853-L857 WeakPolarHBondContact O-CG 3.3Å; F853-L857 PolarHBondContact O-N 3.44Å; E854-L857 PolarHBondContact O-N 2.98Å; L857-T860 PolarHBondContact O-N 3.42Å; L857-N861 PolarHBondContact O-N 3.47Å; L857-N861 VanDerWaalsContact O-N 3.12Å; L857-A896 HydrophobicContact CD2-CB 4.21Å |
| 858 | A | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A815 T818 I819 L839 E854 G855 L856 N861 L862 | A815-A858 HydrophobicContact CB-CB 3.91Å; T818-A858 HydrophobicContact CG2-CB 4.1Å; I819-A858 HydrophobicContact CG1-CB 4.22Å; L839-A858 HydrophobicContact CD1-CB 3.82Å; L839-A858 HydrophobicContact CD2-CB 3.66Å; L839-A858 HydrophobicContact CG-CB 4.36Å; E854-A858 WeakPolarHBondContact O-CB 3.46Å; E854-A858 PolarHBondContact O-N 3.29Å; G855-A858 PolarHBondContact O-N 2.96Å; L856-A858 VanDerWaalsContact C-N 3.27Å; L856-A858 PolarHBondContact O-N 2.91Å; A858-N861 PolarHBondContact O-N 3.28Å; A858-L862 PolarHBondContact O-N 3.29Å; A858-L862 VanDerWaalsContact O-N 3.1Å |
| 859 | L | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 174.1 | -77.3 | -170.2 | 0 | 0 | 0 | 112.6 | L839 L840 I843 G855 L856 N861 L862 A863 I873 I882 | L839-L859 HydrophobicContact CB-CD2 3.6Å; L839-L859 HydrophobicContact CB-CG 3.91Å; L839-L859 HydrophobicContact CD1-CD2 3.9Å; L839-L859 HydrophobicContact CD1-CG 4.47Å; L839-L859 HydrophobicContact CG-CD2 4.43Å; L840-L859 HydrophobicContact CD2-CD1 3.65Å; L840-L859 HydrophobicContact CG-CD1 4.28Å; I843-L859 HydrophobicContact CD1-CD1 3.19Å; I843-L859 HydrophobicContact CD1-CG 4.04Å; G855-L859 PolarHBondContact O-N 3.35Å; L856-L859 PolarHBondContact O-N 2.85Å; L856-L859 VanDerWaalsContact O-N 3.14Å; L859-N861 VanDerWaalsContact C-N 3.27Å; L859-N861 PolarHBondContact O-N 3.03Å; L859-L862 HydrophobicContact CD2-CD1 4.33Å; L859-L862 PolarHBondContact O-N 2.85Å; L859-A863 WeakPolarHBondContact O-CB 3.3Å; L859-A863 PolarHBondContact O-N 3.29Å; L859-I873 HydrophobicContact CD2-CD1 4.37Å; L859-I873 HydrophobicContact CD2-CG1 4.39Å; L859-I882 HydrophobicContact CD1-CD1 4.44Å |
| 860 | T | 94.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.1 | -44.1 | 174.7 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | L856 L857 L862 A863 S864 A896 E899 C900 N903 | L856-T860 PolarHBondContact O-N 2.93Å; L856-T860 PolarHBondContact O-OG1 2.92Å; L857-T860 PolarHBondContact O-N 3.42Å; T860-L862 PolarHBondContact O-N 3.14Å; T860-A863 PolarHBondContact O-N 2.92Å; T860-S864 PolarHBondContact O-N 2.9Å; T860-A896 PolarHBondContact OG1-O 3.37Å; T860-E899 HydrophobicContact CG2-CB 4.22Å; T860-E899 HydrophobicContact CG2-CG 3.71Å; T860-C900 WeakPolarHBondContact OG1-CA 3.44Å; T860-C900 VanDerWaalsContact OG1-CB 3.3Å; T860-C900 WeakPolarHBondContact OG1-CB 3.41Å; T860-C900 PolarHBondContact OG1-N 3.36Å; T860-N903 VanDerWaalsContact CG2-ND2 3.34Å; T860-N903 WeakPolarHBondContact CG2-ND2 3Å; T860-N903 PolarHBondContact O-ND2 3.42Å; T860-N903 VanDerWaalsContact O-ND2 3.16Å |
| 861 | N | 93.5 | Very high | 93.3 | Very high | 56 Ų | 56 | 28.7 Ų | 28.7 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.6 | -32.7 | 174.8 | -78.3 | -2.9 | 0 | 0 | 0 | 113.4 | T818 I819 L857 A858 L859 S864 | T818-N861 PolarHBondContact O-ND2 3.31Å; T818-N861 VanDerWaalsContact O-ND2 3.16Å; I819-N861 WeakPolarHBondContact CA-ND2 3.3Å; I819-N861 PolarHBondContact O-ND2 2.81Å; L857-N861 PolarHBondContact O-N 3.47Å; L857-N861 VanDerWaalsContact O-N 3.12Å; A858-N861 PolarHBondContact O-N 3.28Å; L859-N861 VanDerWaalsContact C-N 3.27Å; L859-N861 PolarHBondContact O-N 3.03Å; N861-S864 PolarHBondContact O-OG 3.34Å |
| 862 | L | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75 | -39.3 | 174.5 | -70.6 | 178.8 | 0 | 0 | 0 | 112.3 | T818 P823 L835 V836 L839 A858 L859 T860 S864 L865 H869 | T818-L862 HydrophobicContact CG2-CD2 4.32Å; T818-L862 HydrophobicContact CG2-CG 4.24Å; P823-L862 HydrophobicContact CB-CD2 3.63Å; P823-L862 HydrophobicContact CG-CD2 3.79Å; L835-L862 HydrophobicContact CB-CD1 3.82Å; L835-L862 HydrophobicContact CD1-CD1 4.32Å; L835-L862 HydrophobicContact CD1-CD2 4.01Å; V836-L862 HydrophobicContact CG2-CD1 4.49Å; L839-L862 HydrophobicContact CD1-CD1 3.42Å; L839-L862 VanDerWaalsContact CD1-CD1 3.42Å; L839-L862 HydrophobicContact CD1-CG 4.38Å; A858-L862 PolarHBondContact O-N 3.29Å; A858-L862 VanDerWaalsContact O-N 3.1Å; L859-L862 HydrophobicContact CD2-CD1 4.33Å; L859-L862 PolarHBondContact O-N 2.85Å; T860-L862 PolarHBondContact O-N 3.14Å; L862-S864 PolarHBondContact O-N 3.11Å; L862-L865 HydrophobicContact CD2-CD1 4.02Å; L862-L865 WeakPolarHBondContact O-CB 3.33Å; L862-L865 PolarHBondContact O-N 2.9Å; L862-H869 VanDerWaalsContact O-CB 3.28Å; L862-H869 WeakPolarHBondContact O-CB 3.26Å |
| 863 | A | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -26.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L859 T860 L865 R870 I873 N903 L904 | L859-A863 WeakPolarHBondContact O-CB 3.3Å; L859-A863 PolarHBondContact O-N 3.29Å; T860-A863 PolarHBondContact O-N 2.92Å; A863-L865 VanDerWaalsContact C-N 3.31Å; A863-L865 PolarHBondContact O-N 3.26Å; A863-R870 HydrophobicContact CB-CG 4.46Å; A863-R870 WeakPolarHBondContact O-CG 3.29Å; A863-R870 PolarHBondContact O-NH1 3.22Å; A863-I873 HydrophobicContact CB-CD1 4.17Å; A863-N903 HydrophobicContact CB-CB 3.76Å; A863-L904 HydrophobicContact CB-CD2 4.11Å; A863-L904 HydrophobicContact CB-CG 4.38Å |
| 864 | S | 92.8 | Very high | 92.5 | Very high | 61 Ų | 61 | 29.1 Ų | 29.1 | 43% | 0.427 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.9 | 177.8 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | T860 N861 L862 | T860-S864 PolarHBondContact O-N 2.9Å; N861-S864 PolarHBondContact O-OG 3.34Å; L862-S864 PolarHBondContact O-N 3.11Å |
| 865 | L | 91.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 30 Ų | 30 | 23% | 0.225 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -76.5 | -36.9 | -175.1 | -61.6 | 174.9 | 0 | 0 | 0 | 114 | P823 R824 L862 A863 | P823-L865 HydrophobicContact CB-CD1 3.74Å; P823-L865 HydrophobicContact CG-CD1 4.01Å; R824-L865 HydrophobicContact CG-CD1 4.46Å; R824-L865 HydrophobicContact CG-CD2 4.03Å; L862-L865 HydrophobicContact CD2-CD1 4.02Å; L862-L865 WeakPolarHBondContact O-CB 3.33Å; L862-L865 PolarHBondContact O-N 2.9Å; A863-L865 VanDerWaalsContact C-N 3.31Å; A863-L865 PolarHBondContact O-N 3.26Å |
| 866 | G | 90.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | trans | 160.7 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T868 H869 R870 | G866-T868 VanDerWaalsContact C-N 3.27Å; G866-T868 PolarHBondContact O-N 3.11Å; G866-H869 PolarHBondContact O-N 3.18Å; G866-R870 PolarHBondContact O-N 3.37Å | ||
| 867 | D | 89.3 | Confident | 91.1 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 46% | 0.46 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -27.8 | -174.2 | -75 | -48.4 | 0 | 0 | 0 | 114.1 | H869 R870 Y871 S907 | D867-H869 VanDerWaalsContact C-N 3.27Å; D867-H869 PolarHBondContact O-N 3.32Å; D867-R870 PolarHBondContact O-N 3.47Å; D867-R870 IonicContact OD1-CZ 3.48Å; D867-R870 IonicContact OD1-NE 3.4Å; D867-R870 PolarHBondContact OD1-NE 2.94Å; D867-R870 IonicContact OD1-NH2 3.23Å; D867-R870 PolarHBondContact OD1-NH2 2.97Å; D867-R870 IonicContact OD2-NH2 2.81Å; D867-R870 PolarHBondContact OD2-NH2 3.24Å; D867-Y871 VanDerWaalsContact O-CB 3.25Å; D867-Y871 WeakPolarHBondContact O-CB 3.35Å; D867-Y871 PolarHBondContact O-N 2.99Å; D867-S907 WeakPolarHBondContact OD1-CB 3.48Å; D867-S907 PolarHBondContact OD1-OG 3.43Å |
| 868 | T | 88.9 | Confident | 90.7 | Very high | 92 Ų | 92 | 36.6 Ų | 36.6 | 56% | 0.564 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -58.6 | -40.5 | 176.2 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | G866 R872 | G866-T868 VanDerWaalsContact C-N 3.27Å; G866-T868 PolarHBondContact O-N 3.11Å; T868-R872 WeakPolarHBondContact O-CB 3.38Å; T868-R872 PolarHBondContact O-N 3.36Å; T868-R872 VanDerWaalsContact O-N 3.16Å |
| 869 | H | 91.7 | Very high | 90.5 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.5 | -42.1 | -179.8 | -62.7 | 71.8 | 0 | 0 | 0 | 110.9 | S832 L862 G866 D867 Y871 R872 I873 | S832-H869 PolarHBondContact OG-NE2 3.46Å; L862-H869 VanDerWaalsContact O-CB 3.28Å; L862-H869 WeakPolarHBondContact O-CB 3.26Å; G866-H869 PolarHBondContact O-N 3.18Å; D867-H869 VanDerWaalsContact C-N 3.27Å; D867-H869 PolarHBondContact O-N 3.32Å; H869-Y871 PolarHBondContact O-N 3.29Å; H869-R872 WeakPolarHBondContact O-CB 3.4Å; H869-R872 PolarHBondContact O-N 3.12Å; H869-R872 VanDerWaalsContact O-N 3.11Å; H869-I873 WeakPolarHBondContact O-CG1 3.36Å; H869-I873 PolarHBondContact O-N 3.2Å |
| 870 | R | 92.4 | Very high | 90.1 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 6% | 0.06 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.5 | -64 | -172.3 | -79.7 | -99.4 | 12.7 | 111.6 | A863 G866 D867 R872 I873 M874 N903 L904 | A863-R870 HydrophobicContact CB-CG 4.46Å; A863-R870 WeakPolarHBondContact O-CG 3.29Å; A863-R870 PolarHBondContact O-NH1 3.22Å; G866-R870 PolarHBondContact O-N 3.37Å; D867-R870 PolarHBondContact O-N 3.47Å; D867-R870 IonicContact OD1-CZ 3.48Å; D867-R870 IonicContact OD1-NE 3.4Å; D867-R870 PolarHBondContact OD1-NE 2.94Å; D867-R870 IonicContact OD1-NH2 3.23Å; D867-R870 PolarHBondContact OD1-NH2 2.97Å; D867-R870 IonicContact OD2-NH2 2.81Å; D867-R870 PolarHBondContact OD2-NH2 3.24Å; R870-R872 VanDerWaalsContact C-N 3.3Å; R870-R872 PolarHBondContact O-N 3.35Å; R870-I873 PolarHBondContact O-N 3.35Å; R870-M874 WeakPolarHBondContact O-CG 3.46Å; R870-M874 PolarHBondContact O-N 2.75Å; R870-M874 VanDerWaalsContact O-N 3.12Å; R870-N903 VanDerWaalsContact CD-O 3.28Å; R870-N903 WeakPolarHBondContact CD-O 3.37Å; R870-L904 HydrophobicContact CB-CD2 4.1Å; R870-L904 HydrophobicContact CG-CD2 4.08Å |
| 871 | Y | 88.7 | Confident | 89.9 | Confident | 67 Ų | 67 | 42.4 Ų | 42.4 | 26% | 0.263 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 175 | 178.1 | -97.8 | 0 | 0 | 0 | 112.1 | D867 H869 M874 A875 I925 K928 | D867-Y871 VanDerWaalsContact O-CB 3.25Å; D867-Y871 WeakPolarHBondContact O-CB 3.35Å; D867-Y871 PolarHBondContact O-N 2.99Å; H869-Y871 PolarHBondContact O-N 3.29Å; Y871-M874 WeakPolarHBondContact O-CB 3.31Å; Y871-M874 PolarHBondContact O-N 2.88Å; Y871-A875 HydrophobicContact CE1-CB 4.21Å; Y871-A875 VanDerWaalsContact O-CB 3.31Å; Y871-A875 WeakPolarHBondContact O-CB 3.45Å; Y871-A875 PolarHBondContact O-N 2.97Å; Y871-I925 HydrophobicContact CD2-CG2 4.39Å; Y871-I925 HydrophobicContact CE2-CG2 4.18Å; Y871-K928 WeakPolarHBondContact OH-CB 3.35Å; Y871-K928 WeakPolarHBondContact OH-CD 3.34Å |
| 872 | R | 89.1 | Confident | 89.8 | Confident | 88 Ų | 88 | 39.8 Ų | 39.8 | 33% | 0.332 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 178.6 | -172 | 66.7 | 176.3 | 138.8 | 10.6 | 112.5 | L833 V836 T868 H869 R870 M874 A875 E876 | L833-R872 HydrophobicContact CB-CG 4.28Å; L833-R872 HydrophobicContact CD2-CB 4.17Å; L833-R872 HydrophobicContact CD2-CG 4.4Å; V836-R872 HydrophobicContact CB-CG 4.12Å; V836-R872 HydrophobicContact CG1-CG 4.32Å; V836-R872 HydrophobicContact CG2-CB 4.21Å; V836-R872 HydrophobicContact CG2-CG 3.77Å; T868-R872 WeakPolarHBondContact O-CB 3.38Å; T868-R872 PolarHBondContact O-N 3.36Å; T868-R872 VanDerWaalsContact O-N 3.16Å; H869-R872 WeakPolarHBondContact O-CB 3.4Å; H869-R872 PolarHBondContact O-N 3.12Å; H869-R872 VanDerWaalsContact O-N 3.11Å; R870-R872 VanDerWaalsContact C-N 3.3Å; R870-R872 PolarHBondContact O-N 3.35Å; R872-M874 VanDerWaalsContact C-N 3.28Å; R872-M874 PolarHBondContact O-N 3.25Å; R872-A875 PolarHBondContact O-N 2.88Å; R872-E876 IonicContact CZ-OE1 2.69Å; R872-E876 IonicContact NH1-OE1 2.65Å; R872-E876 PolarHBondContact NH1-OE1 2.96Å; R872-E876 IonicContact NH2-OE1 3.36Å; R872-E876 PolarHBondContact NH2-OE1 3.27Å; R872-E876 WeakPolarHBondContact O-CG 3.01Å; R872-E876 PolarHBondContact O-N 3.19Å; R872-E876 VanDerWaalsContact O-N 3.1Å |
| 873 | I | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 174.6 | -66.4 | 164.8 | 0 | 0 | 0 | 110.3 | V836 L859 A863 H869 R870 G878 I882 L904 | V836-I873 HydrophobicContact CG1-CB 4.36Å; V836-I873 HydrophobicContact CG1-CG1 3.91Å; V836-I873 HydrophobicContact CG2-CG1 4.03Å; L859-I873 HydrophobicContact CD2-CD1 4.37Å; L859-I873 HydrophobicContact CD2-CG1 4.39Å; A863-I873 HydrophobicContact CB-CD1 4.17Å; H869-I873 WeakPolarHBondContact O-CG1 3.36Å; H869-I873 PolarHBondContact O-N 3.2Å; R870-I873 PolarHBondContact O-N 3.35Å; I873-G878 PolarHBondContact O-N 2.75Å; I873-I882 HydrophobicContact CG2-CD1 4.05Å; I873-L904 HydrophobicContact CB-CD2 4.44Å; I873-L904 HydrophobicContact CD1-CD2 4.11Å; I873-L904 HydrophobicContact CG2-CD2 4.36Å |
| 874 | M | 87.7 | Confident | 89.3 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -44 | 177.4 | -73.8 | 178.1 | 69.8 | 0 | 0 | 112.6 | R870 Y871 R872 E876 H877 L879 S909 F910 L932 | R870-M874 WeakPolarHBondContact O-CG 3.46Å; R870-M874 PolarHBondContact O-N 2.75Å; R870-M874 VanDerWaalsContact O-N 3.12Å; Y871-M874 WeakPolarHBondContact O-CB 3.31Å; Y871-M874 PolarHBondContact O-N 2.88Å; R872-M874 VanDerWaalsContact C-N 3.28Å; R872-M874 PolarHBondContact O-N 3.25Å; M874-E876 VanDerWaalsContact C-N 3.3Å; M874-E876 PolarHBondContact O-N 3.46Å; M874-H877 PolarHBondContact O-N 3.33Å; M874-L879 HydrophobicContact CE-CD1 4.37Å; M874-L879 HydrophobicContact CG-CD1 4.31Å; M874-L879 HydrophobicContact CG-CD2 4.11Å; M874-L879 HydrophobicContact CG-CG 4.28Å; M874-S909 VanDerWaalsContact CE-OG 3.23Å; M874-S909 WeakPolarHBondContact CE-OG 3.18Å; M874-F910 HydrophobicContact CE-CB 4.42Å; M874-F910 HydrophobicContact SD-CB 4.1Å; M874-L932 HydrophobicContact CB-CD2 3.61Å; M874-L932 HydrophobicContact CE-CD2 3.29Å; M874-L932 HydrophobicContact CG-CD2 4.05Å |
| 875 | A | 85.5 | Confident | 89.2 | Confident | 38 Ų | 38 | 41.7 Ų | 41.7 | 31% | 0.314 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.5 | -26.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y871 R872 H877 | Y871-A875 HydrophobicContact CE1-CB 4.21Å; Y871-A875 VanDerWaalsContact O-CB 3.31Å; Y871-A875 WeakPolarHBondContact O-CB 3.45Å; Y871-A875 PolarHBondContact O-N 2.97Å; R872-A875 PolarHBondContact O-N 2.88Å; A875-H877 VanDerWaalsContact C-N 3.26Å; A875-H877 PolarHBondContact O-N 3.17Å |
| 876 | E | 87.1 | Confident | 89.2 | Confident | 54 Ų | 54 | 39.7 Ų | 39.7 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 24.1 | 176.3 | -66.3 | -72.4 | 149.1 | 0 | 0 | 112.4 | V836 L840 R872 M874 G878 | V836-E876 HydrophobicContact CG1-CB 4.18Å; V836-E876 HydrophobicContact CG1-CG 4.25Å; L840-E876 HydrophobicContact CD1-CB 3.9Å; R872-E876 IonicContact CZ-OE1 2.69Å; R872-E876 IonicContact NH1-OE1 2.65Å; R872-E876 PolarHBondContact NH1-OE1 2.96Å; R872-E876 IonicContact NH2-OE1 3.36Å; R872-E876 PolarHBondContact NH2-OE1 3.27Å; R872-E876 WeakPolarHBondContact O-CG 3.01Å; R872-E876 PolarHBondContact O-N 3.19Å; R872-E876 VanDerWaalsContact O-N 3.1Å; M874-E876 VanDerWaalsContact C-N 3.3Å; M874-E876 PolarHBondContact O-N 3.46Å; E876-G878 VanDerWaalsContact C-N 3.28Å; E876-G878 PolarHBondContact O-N 2.82Å |
| 877 | H | 84.7 | Confident | 89.2 | Confident | 128 Ų | 128 | 44 Ų | 44 | 59% | 0.593 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 36.3 | 179.4 | -58.2 | -80 | 0 | 0 | 0 | 114.2 | M874 A875 L879 P880 | M874-H877 PolarHBondContact O-N 3.33Å; A875-H877 VanDerWaalsContact C-N 3.26Å; A875-H877 PolarHBondContact O-N 3.17Å; H877-L879 PolarHBondContact O-N 3.08Å; H877-P880 WeakPolarHBondContact O-CD 3.4Å |
| 878 | G | 87.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.5 | -21.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L840 I873 E876 L881 I882 | L840-G878 VanDerWaalsContact CD2-CA 3.44Å; I873-G878 PolarHBondContact O-N 2.75Å; E876-G878 VanDerWaalsContact C-N 3.28Å; E876-G878 PolarHBondContact O-N 2.82Å; G878-L881 PolarHBondContact O-N 2.78Å; G878-I882 WeakPolarHBondContact O-CG1 3.43Å; G878-I882 PolarHBondContact O-N 3.12Å; G878-I882 VanDerWaalsContact O-N 3.1Å |
| 879 | L | 89.9 | Confident | 89 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | -173.4 | -59.5 | -172 | 0 | 0 | 0 | 114.4 | M874 H877 L881 I882 D883 L904 F910 L932 | M874-L879 HydrophobicContact CE-CD1 4.37Å; M874-L879 HydrophobicContact CG-CD1 4.31Å; M874-L879 HydrophobicContact CG-CD2 4.11Å; M874-L879 HydrophobicContact CG-CG 4.28Å; H877-L879 PolarHBondContact O-N 3.08Å; L879-L881 VanDerWaalsContact C-N 3.26Å; L879-L881 PolarHBondContact O-N 3.37Å; L879-I882 PolarHBondContact O-N 3.05Å; L879-D883 WeakPolarHBondContact O-CB 3.37Å; L879-D883 PolarHBondContact O-N 2.8Å; L879-L904 HydrophobicContact CD2-CD1 4.1Å; L879-F910 HydrophobicContact CD1-CD2 4.4Å; L879-F910 HydrophobicContact CD2-CD2 3.89Å; L879-F910 HydrophobicContact CD2-CE2 3.71Å; L879-L932 HydrophobicContact CD1-CD2 3.82Å |
| 880 | P | 87.7 | Confident | 88.9 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 49% | 0.494 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -34.9 | 177.5 | -24.5 | 36 | 0 | 0 | 0 | 113.5 | H877 H884 | H877-P880 WeakPolarHBondContact O-CD 3.4Å; P880-H884 PolarHBondContact O-N 2.97Å |
| 881 | L | 90 | Very high | 88.8 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.3 | -45.8 | 178.1 | -63.5 | 174.3 | 0 | 0 | 0 | 111.1 | L840 I843 G878 L879 D883 H884 C885 | L840-L881 HydrophobicContact CB-CD1 4.19Å; L840-L881 HydrophobicContact CD2-CD1 4.29Å; I843-L881 HydrophobicContact CG2-CB 4.01Å; G878-L881 PolarHBondContact O-N 2.78Å; L879-L881 VanDerWaalsContact C-N 3.26Å; L879-L881 PolarHBondContact O-N 3.37Å; L881-D883 VanDerWaalsContact C-N 3.33Å; L881-H884 WeakPolarHBondContact O-CB 3.49Å; L881-H884 PolarHBondContact O-N 2.64Å; L881-C885 PolarHBondContact O-N 3.02Å |
| 882 | I | 91.6 | Very high | 89 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.6 | -63.9 | 166.2 | 0 | 0 | 0 | 110.4 | L859 I873 G878 L879 H884 C885 L886 V901 L904 | L859-I882 HydrophobicContact CD1-CD1 4.44Å; I873-I882 HydrophobicContact CG2-CD1 4.05Å; G878-I882 WeakPolarHBondContact O-CG1 3.43Å; G878-I882 PolarHBondContact O-N 3.12Å; G878-I882 VanDerWaalsContact O-N 3.1Å; L879-I882 PolarHBondContact O-N 3.05Å; I882-H884 VanDerWaalsContact C-N 3.32Å; I882-H884 PolarHBondContact O-N 3.4Å; I882-C885 PolarHBondContact O-N 3.35Å; I882-L886 PolarHBondContact O-N 3.48Å; I882-V901 HydrophobicContact CG2-CG2 3.82Å; I882-L904 HydrophobicContact CD1-CD1 3.83Å |
| 883 | D | 89.6 | Confident | 89.2 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 176.1 | -82.8 | 6.6 | 0 | 0 | 0 | 111.2 | L879 L881 C885 L886 F887 C934 S935 R938 | L879-D883 WeakPolarHBondContact O-CB 3.37Å; L879-D883 PolarHBondContact O-N 2.8Å; L881-D883 VanDerWaalsContact C-N 3.33Å; D883-C885 VanDerWaalsContact C-N 3.29Å; D883-C885 PolarHBondContact O-N 3.19Å; D883-L886 VanDerWaalsContact O-CB 3.3Å; D883-L886 WeakPolarHBondContact O-CB 3.42Å; D883-L886 PolarHBondContact O-N 2.92Å; D883-F887 WeakPolarHBondContact O-CD2 3.42Å; D883-F887 PolarHBondContact O-N 3.43Å; D883-C934 PolarHBondContact OD2-SG 2.99Å; D883-S935 PolarHBondContact OD2-OG 2.89Å; D883-R938 IonicContact OD1-CZ 2.77Å; D883-R938 VanDerWaalsContact OD1-CZ 3.26Å; D883-R938 IonicContact OD1-NE 2.73Å; D883-R938 PolarHBondContact OD1-NE 3.34Å; D883-R938 IonicContact OD1-NH2 3.2Å; D883-R938 PolarHBondContact OD1-NH2 2.99Å; D883-R938 IonicContact OD2-CZ 3.18Å; D883-R938 IonicContact OD2-NE 3.33Å; D883-R938 IonicContact OD2-NH2 3.66Å; D883-R938 PolarHBondContact OD2-NH2 3.35Å |
| 884 | H | 89.5 | Confident | 89.3 | Confident | 88 Ų | 88 | 50.8 Ų | 50.8 | 41% | 0.407 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.1 | -45.4 | 175.9 | -179 | 45.8 | 0 | 0 | 0 | 111.4 | P880 L881 I882 L886 F887 E888 | P880-H884 PolarHBondContact O-N 2.97Å; L881-H884 WeakPolarHBondContact O-CB 3.49Å; L881-H884 PolarHBondContact O-N 2.64Å; I882-H884 VanDerWaalsContact C-N 3.32Å; I882-H884 PolarHBondContact O-N 3.4Å; H884-L886 VanDerWaalsContact C-N 3.26Å; H884-L886 PolarHBondContact O-N 3.18Å; H884-F887 PolarHBondContact O-N 3.35Å; H884-E888 PolarHBondContact O-N 2.99Å |
| 885 | C | 90.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.8 | -20.4 | 176.2 | -65 | 0 | 0 | 0 | 0 | 114.7 | I843 L856 L881 I882 D883 F887 I893 A897 | I843-C885 WeakPolarHBondContact CG2-SG 3.4Å; L856-C885 HydrophobicContact CD1-CB 3.91Å; L856-C885 HydrophobicContact CD2-CB 4.49Å; L881-C885 PolarHBondContact O-N 3.02Å; I882-C885 PolarHBondContact O-N 3.35Å; D883-C885 VanDerWaalsContact C-N 3.29Å; D883-C885 PolarHBondContact O-N 3.19Å; C885-F887 VanDerWaalsContact C-N 3.32Å; C885-I893 HydrophobicContact CB-CG2 3.86Å; C885-A897 HydrophobicContact CB-CB 3.85Å |
| 886 | L | 90.5 | Very high | 90 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 169.3 | -64.3 | 169.1 | 0 | 0 | 0 | 110.2 | I882 D883 H884 E888 A897 V901 R938 L941 Y945 | I882-L886 PolarHBondContact O-N 3.48Å; D883-L886 VanDerWaalsContact O-CB 3.3Å; D883-L886 WeakPolarHBondContact O-CB 3.42Å; D883-L886 PolarHBondContact O-N 2.92Å; H884-L886 VanDerWaalsContact C-N 3.26Å; H884-L886 PolarHBondContact O-N 3.18Å; L886-E888 VanDerWaalsContact C-N 3.26Å; L886-E888 PolarHBondContact O-N 3.5Å; L886-A897 HydrophobicContact CD2-CB 3.76Å; L886-A897 HydrophobicContact CG-CB 4.22Å; L886-V901 HydrophobicContact CD1-CG2 3.97Å; L886-V901 HydrophobicContact CD2-CG2 4.06Å; L886-V901 HydrophobicContact CG-CG2 4.4Å; L886-R938 HydrophobicContact CD1-CG 4.17Å; L886-L941 HydrophobicContact CB-CD2 3.71Å; L886-Y945 PolarHBondContact O-OH 3.17Å |
| 887 | F | 89.7 | Confident | 90.4 | Very high | 108 Ų | 108 | 49.3 Ų | 49.3 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -81.4 | 1 | -179.1 | -66.2 | -79.7 | 0 | 0 | 0 | 114.3 | D883 H884 C885 E937 L941 | D883-F887 WeakPolarHBondContact O-CD2 3.42Å; D883-F887 PolarHBondContact O-N 3.43Å; H884-F887 PolarHBondContact O-N 3.35Å; C885-F887 VanDerWaalsContact C-N 3.32Å; F887-E937 HydrophobicContact CZ-CB 4.46Å; F887-L941 HydrophobicContact CD1-CD2 3.97Å; F887-L941 HydrophobicContact CE1-CD1 4.28Å; F887-L941 HydrophobicContact CE1-CD2 3.77Å; F887-L941 HydrophobicContact CE1-CG 4.5Å; F887-L941 HydrophobicContact CE2-CD2 4.33Å; F887-L941 HydrophobicContact CG-CD2 4.35Å; F887-L941 HydrophobicContact CZ-CD2 3.95Å |
| 888 | E | 88.4 | Confident | 90.9 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | trans | -72.8 | 141.2 | -177.8 | -161.1 | 69.2 | -168.3 | 0 | 0 | 111.8 | H884 L886 H890 I893 | H884-E888 PolarHBondContact O-N 2.99Å; L886-E888 VanDerWaalsContact C-N 3.26Å; L886-E888 PolarHBondContact O-N 3.5Å; E888-H890 VanDerWaalsContact C-N 3.28Å; E888-H890 HydrophobicContact CG-CB 4.3Å; E888-H890 PolarHBondContact O-N 3.45Å; E888-I893 HydrophobicContact CB-CG2 4.13Å; E888-I893 HydrophobicContact CG-CD1 4.48Å; E888-I893 HydrophobicContact CG-CG2 4.26Å | ||
| 889 | D | 85.8 | Confident | 91.3 | Very high | 155 Ų | 155 | 47.4 Ų | 47.4 | 83% | 0.829 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -69.9 | -25 | 179.5 | -69.2 | -36 | 0 | 0 | 0 | 112.7 | P891 | D889-P891 VanDerWaalsContact O-CD 3.24Å; D889-P891 WeakPolarHBondContact O-CD 3.16Å |
| 890 | H | 90.5 | Very high | 91.6 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | trans | -67.8 | 114.8 | -175.5 | -168.9 | -72.4 | 0 | 0 | 0 | 111.4 | E888 M892 I893 R894 | E888-H890 VanDerWaalsContact C-N 3.28Å; E888-H890 HydrophobicContact CG-CB 4.3Å; E888-H890 PolarHBondContact O-N 3.45Å; H890-M892 VanDerWaalsContact C-N 3.32Å; H890-M892 PolarHBondContact ND1-N 3.16Å; H890-M892 PolarHBondContact O-N 2.84Å; H890-M892 VanDerWaalsContact O-N 3.13Å; H890-I893 HydrophobicContact CB-CB 4.21Å; H890-I893 HydrophobicContact CB-CD1 3.94Å; H890-I893 HydrophobicContact CB-CG1 4.13Å; H890-I893 PolarHBondContact O-N 3.03Å; H890-R894 PolarHBondContact O-N 3.24Å; H890-R894 VanDerWaalsContact O-N 3.11Å | ||
| 891 | P | 90.9 | Very high | 91.9 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 44% | 0.442 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57 | -40 | -169.4 | -27.7 | 34.8 | 0 | 0 | 0 | 114.5 | D889 R895 | D889-P891 VanDerWaalsContact O-CD 3.24Å; D889-P891 WeakPolarHBondContact O-CD 3.16Å; P891-R895 WeakPolarHBondContact O-CB 3.46Å; P891-R895 PolarHBondContact O-N 2.92Å |
| 892 | M | 91.9 | Very high | 92.1 | Very high | 79 Ų | 79 | 42 Ų | 42 | 39% | 0.389 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.5 | -34.1 | -179.2 | -62.1 | -73.2 | -91.2 | 0 | 0 | 113 | F853 H890 A896 | F853-M892 HydrophobicContact CD2-CB 3.9Å; F853-M892 WeakPolarHBondContact CD2-O 3.4Å; F853-M892 HydrophobicContact CE2-CB 3.66Å; F853-M892 HydrophobicContact CE2-CE 4.39Å; F853-M892 WeakPolarHBondContact CE2-O 3.29Å; F853-M892 HydrophobicContact CZ-CB 4.34Å; F853-M892 HydrophobicContact CZ-CE 3.93Å; H890-M892 VanDerWaalsContact C-N 3.32Å; H890-M892 PolarHBondContact ND1-N 3.16Å; H890-M892 PolarHBondContact O-N 2.84Å; H890-M892 VanDerWaalsContact O-N 3.13Å; M892-A896 WeakPolarHBondContact O-CB 3.39Å; M892-A896 PolarHBondContact O-N 3.43Å |
| 893 | I | 93.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.2 | -48.4 | 179.4 | -67.8 | 178.9 | 0 | 0 | 0 | 108.5 | A849 N852 F853 L856 C885 E888 H890 R895 A896 A897 | A849-I893 HydrophobicContact CB-CD1 3.98Å; N852-I893 HydrophobicContact CB-CD1 4.14Å; F853-I893 HydrophobicContact CB-CG1 4.23Å; L856-I893 HydrophobicContact CD1-CG2 3.74Å; C885-I893 HydrophobicContact CB-CG2 3.86Å; E888-I893 HydrophobicContact CB-CG2 4.13Å; E888-I893 HydrophobicContact CG-CD1 4.48Å; E888-I893 HydrophobicContact CG-CG2 4.26Å; H890-I893 HydrophobicContact CB-CB 4.21Å; H890-I893 HydrophobicContact CB-CD1 3.94Å; H890-I893 HydrophobicContact CB-CG1 4.13Å; H890-I893 PolarHBondContact O-N 3.03Å; I893-R895 VanDerWaalsContact C-N 3.31Å; I893-R895 PolarHBondContact O-N 3.41Å; I893-A896 PolarHBondContact O-N 2.91Å; I893-A896 VanDerWaalsContact O-N 3.17Å; I893-A897 WeakPolarHBondContact O-CB 3.45Å; I893-A897 PolarHBondContact O-N 3.35Å |
| 894 | R | 93.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.1 | -44.6 | 175.1 | -175.2 | 169 | 62.6 | 142.1 | 13.2 | 112.4 | H890 T898 Y945 E948 L954 | H890-R894 PolarHBondContact O-N 3.24Å; H890-R894 VanDerWaalsContact O-N 3.11Å; R894-T898 WeakPolarHBondContact O-CB 3.18Å; R894-T898 PolarHBondContact O-N 2.69Å; R894-T898 PolarHBondContact O-OG1 2.72Å; R894-Y945 VanDerWaalsContact CD-OH 3.29Å; R894-Y945 WeakPolarHBondContact CD-OH 2.98Å; R894-Y945 HydrophobicContact CG-CE1 4.47Å; R894-Y945 HydrophobicContact CG-CE2 3.92Å; R894-E948 IonicContact CZ-OE1 3.56Å; R894-E948 IonicContact CZ-OE2 3.79Å; R894-E948 VanDerWaalsContact NH1-CD 3.33Å; R894-E948 IonicContact NH1-OE1 2.7Å; R894-E948 PolarHBondContact NH1-OE1 3.5Å; R894-E948 IonicContact NH1-OE2 3.75Å; R894-E948 PolarHBondContact NH1-OE2 3.39Å; R894-E948 IonicContact NH2-OE2 2.76Å; R894-E948 PolarHBondContact NH2-OE2 3.44Å; R894-L954 HydrophobicContact CG-CD1 4.26Å |
| 895 | R | 93.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -50.7 | 174.3 | -174.4 | -171 | -63.8 | 168.2 | 1.3 | 112 | P891 I893 A897 T898 E899 D951 L953 | P891-R895 WeakPolarHBondContact O-CB 3.46Å; P891-R895 PolarHBondContact O-N 2.92Å; I893-R895 VanDerWaalsContact C-N 3.31Å; I893-R895 PolarHBondContact O-N 3.41Å; R895-A897 VanDerWaalsContact C-N 3.35Å; R895-A897 PolarHBondContact O-N 2.91Å; R895-T898 PolarHBondContact O-N 3.4Å; R895-E899 PolarHBondContact O-N 2.8Å; R895-D951 IonicContact CZ-OD1 2.75Å; R895-D951 IonicContact CZ-OD2 2.79Å; R895-D951 VanDerWaalsContact CZ-OD2 3.31Å; R895-D951 IonicContact NE-OD1 3.52Å; R895-D951 PolarHBondContact NE-OD1 3.47Å; R895-D951 IonicContact NE-OD2 3.95Å; R895-D951 PolarHBondContact NE-OD2 3.46Å; R895-D951 IonicContact NH2-OD1 2.73Å; R895-D951 PolarHBondContact NH2-OD1 3.21Å; R895-D951 IonicContact NH2-OD2 3.78Å; R895-D951 PolarHBondContact NH2-OD2 3.17Å; R895-L953 HydrophobicContact CG-CB 4.28Å |
| 896 | A | 94.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F853 L856 L857 T860 M892 I893 E899 C900 | F853-A896 HydrophobicContact CD2-CB 4.08Å; F853-A896 HydrophobicContact CE2-CB 4.03Å; L856-A896 HydrophobicContact CB-CB 3.87Å; L856-A896 HydrophobicContact CD1-CB 4.32Å; L857-A896 HydrophobicContact CD2-CB 4.21Å; T860-A896 PolarHBondContact OG1-O 3.37Å; M892-A896 WeakPolarHBondContact O-CB 3.39Å; M892-A896 PolarHBondContact O-N 3.43Å; I893-A896 PolarHBondContact O-N 2.91Å; I893-A896 VanDerWaalsContact O-N 3.17Å; A896-E899 PolarHBondContact O-N 2.83Å; A896-C900 WeakPolarHBondContact O-CB 3.41Å; A896-C900 PolarHBondContact O-N 3.08Å |
| 897 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L856 C885 L886 I893 R895 E899 C900 V901 | L856-A897 HydrophobicContact CD1-CB 4.11Å; L856-A897 HydrophobicContact CD2-CB 4.16Å; C885-A897 HydrophobicContact CB-CB 3.85Å; L886-A897 HydrophobicContact CD2-CB 3.76Å; L886-A897 HydrophobicContact CG-CB 4.22Å; I893-A897 WeakPolarHBondContact O-CB 3.45Å; I893-A897 PolarHBondContact O-N 3.35Å; R895-A897 VanDerWaalsContact C-N 3.35Å; R895-A897 PolarHBondContact O-N 2.91Å; A897-E899 VanDerWaalsContact C-N 3.33Å; A897-E899 PolarHBondContact O-N 3.42Å; A897-C900 WeakPolarHBondContact O-CB 3.46Å; A897-C900 PolarHBondContact O-N 2.83Å; A897-V901 WeakPolarHBondContact O-CG2 3.43Å; A897-V901 PolarHBondContact O-N 3.24Å |
| 898 | T | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 177.4 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | R894 R895 V901 A902 L942 L954 A957 A958 | R894-T898 WeakPolarHBondContact O-CB 3.18Å; R894-T898 PolarHBondContact O-N 2.69Å; R894-T898 PolarHBondContact O-OG1 2.72Å; R895-T898 PolarHBondContact O-N 3.4Å; T898-V901 WeakPolarHBondContact O-CB 3.19Å; T898-V901 PolarHBondContact O-N 3.25Å; T898-A902 PolarHBondContact O-N 3.44Å; T898-L942 HydrophobicContact CG2-CD2 3.91Å; T898-L954 HydrophobicContact CG2-CD1 4.01Å; T898-L954 VanDerWaalsContact OG1-CD1 3.32Å; T898-L954 WeakPolarHBondContact OG1-CD1 3.38Å; T898-A957 HydrophobicContact CG2-CB 3.71Å; T898-A958 HydrophobicContact CG2-CB 3.91Å |
| 899 | E | 94.9 | Very high | 92.7 | Very high | 87 Ų | 87 | 37.6 Ų | 37.6 | 41% | 0.407 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 174.7 | -166.4 | 178.5 | 173.4 | 0 | 0 | 112.2 | T860 R895 A896 A897 V901 A902 N903 A957 | T860-E899 HydrophobicContact CG2-CB 4.22Å; T860-E899 HydrophobicContact CG2-CG 3.71Å; R895-E899 PolarHBondContact O-N 2.8Å; A896-E899 PolarHBondContact O-N 2.83Å; A897-E899 VanDerWaalsContact C-N 3.33Å; A897-E899 PolarHBondContact O-N 3.42Å; E899-V901 VanDerWaalsContact C-N 3.32Å; E899-V901 PolarHBondContact O-N 2.56Å; E899-A902 WeakPolarHBondContact O-CB 3.06Å; E899-A902 PolarHBondContact O-N 3.4Å; E899-N903 PolarHBondContact O-N 2.95Å; E899-N903 VanDerWaalsContact O-N 3.09Å; E899-A957 HydrophobicContact CB-CB 4.23Å |
| 900 | C | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 172.2 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | T860 A896 A897 A902 N903 L904 | T860-C900 WeakPolarHBondContact OG1-CA 3.44Å; T860-C900 VanDerWaalsContact OG1-CB 3.3Å; T860-C900 WeakPolarHBondContact OG1-CB 3.41Å; T860-C900 PolarHBondContact OG1-N 3.36Å; A896-C900 WeakPolarHBondContact O-CB 3.41Å; A896-C900 PolarHBondContact O-N 3.08Å; A897-C900 WeakPolarHBondContact O-CB 3.46Å; A897-C900 PolarHBondContact O-N 2.83Å; C900-A902 VanDerWaalsContact C-N 3.34Å; C900-A902 PolarHBondContact O-N 3.37Å; C900-N903 PolarHBondContact O-N 3.48Å; C900-L904 WeakPolarHBondContact O-CG 3.38Å; C900-L904 PolarHBondContact O-N 3.45Å |
| 901 | V | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 175.2 | 164.9 | 0 | 0 | 0 | 0 | 111.9 | I882 L886 A897 T898 E899 N903 L904 A905 F910 L942 A961 | I882-V901 HydrophobicContact CG2-CG2 3.82Å; L886-V901 HydrophobicContact CD1-CG2 3.97Å; L886-V901 HydrophobicContact CD2-CG2 4.06Å; L886-V901 HydrophobicContact CG-CG2 4.4Å; A897-V901 WeakPolarHBondContact O-CG2 3.43Å; A897-V901 PolarHBondContact O-N 3.24Å; T898-V901 WeakPolarHBondContact O-CB 3.19Å; T898-V901 PolarHBondContact O-N 3.25Å; E899-V901 VanDerWaalsContact C-N 3.32Å; E899-V901 PolarHBondContact O-N 2.56Å; V901-N903 VanDerWaalsContact C-N 3.27Å; V901-N903 PolarHBondContact O-N 3.28Å; V901-L904 PolarHBondContact O-N 2.91Å; V901-A905 VanDerWaalsContact O-CB 3.23Å; V901-A905 WeakPolarHBondContact O-CB 3.46Å; V901-A905 PolarHBondContact O-N 3.06Å; V901-F910 HydrophobicContact CB-CZ 4.47Å; V901-F910 HydrophobicContact CG1-CE1 4.12Å; V901-F910 HydrophobicContact CG1-CZ 3.81Å; V901-F910 HydrophobicContact CG2-CZ 4.35Å; V901-L942 HydrophobicContact CG1-CD1 4.08Å; V901-L942 HydrophobicContact CG1-CD2 4.16Å; V901-A961 HydrophobicContact CG1-CB 4.25Å |
| 902 | A | 95 | Very high | 92.6 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.9 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T898 E899 C900 A957 A961 | T898-A902 PolarHBondContact O-N 3.44Å; E899-A902 WeakPolarHBondContact O-CB 3.06Å; E899-A902 PolarHBondContact O-N 3.4Å; C900-A902 VanDerWaalsContact C-N 3.34Å; C900-A902 PolarHBondContact O-N 3.37Å; A902-A957 WeakPolarHBondContact CB-O 3.23Å; A902-A961 HydrophobicContact CB-CB 4.06Å |
| 903 | N | 95.7 | Very high | 92.3 | Very high | 28 Ų | 28 | 22.1 Ų | 22.1 | 15% | 0.15 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -73.5 | -39.6 | 174.5 | -71.6 | -21.5 | 0 | 0 | 0 | 112.1 | T860 A863 R870 E899 C900 V901 A905 Q906 | T860-N903 VanDerWaalsContact CG2-ND2 3.34Å; T860-N903 WeakPolarHBondContact CG2-ND2 3Å; T860-N903 PolarHBondContact O-ND2 3.42Å; T860-N903 VanDerWaalsContact O-ND2 3.16Å; A863-N903 HydrophobicContact CB-CB 3.76Å; R870-N903 VanDerWaalsContact CD-O 3.28Å; R870-N903 WeakPolarHBondContact CD-O 3.37Å; E899-N903 PolarHBondContact O-N 2.95Å; E899-N903 VanDerWaalsContact O-N 3.09Å; C900-N903 PolarHBondContact O-N 3.48Å; V901-N903 VanDerWaalsContact C-N 3.27Å; V901-N903 PolarHBondContact O-N 3.28Å; N903-A905 VanDerWaalsContact C-N 3.3Å; N903-A905 PolarHBondContact O-N 2.97Å; N903-Q906 WeakPolarHBondContact O-CB 3.44Å; N903-Q906 PolarHBondContact O-N 3.25Å |
| 904 | L | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.4 | -35 | 175.4 | -68.8 | 173.7 | 0 | 0 | 0 | 112.4 | A863 R870 I873 L879 I882 C900 V901 Q906 S907 F910 | A863-L904 HydrophobicContact CB-CD2 4.11Å; A863-L904 HydrophobicContact CB-CG 4.38Å; R870-L904 HydrophobicContact CB-CD2 4.1Å; R870-L904 HydrophobicContact CG-CD2 4.08Å; I873-L904 HydrophobicContact CB-CD2 4.44Å; I873-L904 HydrophobicContact CD1-CD2 4.11Å; I873-L904 HydrophobicContact CG2-CD2 4.36Å; L879-L904 HydrophobicContact CD2-CD1 4.1Å; I882-L904 HydrophobicContact CD1-CD1 3.83Å; C900-L904 WeakPolarHBondContact O-CG 3.38Å; C900-L904 PolarHBondContact O-N 3.45Å; V901-L904 PolarHBondContact O-N 2.91Å; L904-Q906 PolarHBondContact O-N 2.97Å; L904-Q906 VanDerWaalsContact O-N 3.09Å; L904-S907 WeakPolarHBondContact O-CB 3.32Å; L904-S907 PolarHBondContact O-N 3.24Å; L904-F910 HydrophobicContact CB-CD2 3.63Å; L904-F910 HydrophobicContact CB-CE2 3.78Å; L904-F910 HydrophobicContact CB-CG 4.02Å; L904-F910 HydrophobicContact CB-CZ 4.3Å; L904-F910 HydrophobicContact CD1-CD2 4.31Å; L904-F910 HydrophobicContact CD1-CE2 4Å; L904-F910 VanDerWaalsContact O-CB 3.29Å; L904-F910 WeakPolarHBondContact O-CB 3.46Å |
| 905 | A | 93.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V901 N903 S907 F910 A961 M965 | V901-A905 VanDerWaalsContact O-CB 3.23Å; V901-A905 WeakPolarHBondContact O-CB 3.46Å; V901-A905 PolarHBondContact O-N 3.06Å; N903-A905 VanDerWaalsContact C-N 3.3Å; N903-A905 PolarHBondContact O-N 2.97Å; A905-S907 PolarHBondContact O-N 3.27Å; A905-F910 HydrophobicContact CB-CD1 4.14Å; A905-F910 HydrophobicContact CB-CE1 4.19Å; A905-A961 HydrophobicContact CB-CB 4.24Å; A905-M965 HydrophobicContact CB-CG 3.7Å; A905-M965 HydrophobicContact CB-SD 3.89Å |
| 906 | Q | 93.2 | Very high | 91.3 | Very high | 103 Ų | 103 | 19 Ų | 19 | 48% | 0.481 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.8 | 172.1 | -60 | -179.6 | 13.4 | 0 | 0 | 112.8 | N903 L904 | N903-Q906 WeakPolarHBondContact O-CB 3.44Å; N903-Q906 PolarHBondContact O-N 3.25Å; L904-Q906 PolarHBondContact O-N 2.97Å; L904-Q906 VanDerWaalsContact O-N 3.09Å |
| 907 | S | 90.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -93.3 | 129.9 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 111.6 | D867 L904 A905 S909 F910 V911 | D867-S907 WeakPolarHBondContact OD1-CB 3.48Å; D867-S907 PolarHBondContact OD1-OG 3.43Å; L904-S907 WeakPolarHBondContact O-CB 3.32Å; L904-S907 PolarHBondContact O-N 3.24Å; A905-S907 PolarHBondContact O-N 3.27Å; S907-S909 PolarHBondContact O-N 3.13Å; S907-F910 WeakPolarHBondContact O-CB 3.46Å; S907-F910 PolarHBondContact O-N 3.07Å; S907-V911 PolarHBondContact O-N 3.37Å |
| 908 | H | 89.1 | Confident | 90.3 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 19% | 0.194 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -32.1 | 176.8 | -168.2 | 63.4 | 0 | 0 | 0 | 113 | F910 V911 I912 I918 L920 Y967 | H908-F910 VanDerWaalsContact C-N 3.26Å; H908-F910 PolarHBondContact O-N 3.49Å; H908-V911 WeakPolarHBondContact O-CB 3.43Å; H908-V911 PolarHBondContact O-N 3.06Å; H908-V911 VanDerWaalsContact O-N 3.13Å; H908-I912 PolarHBondContact O-N 2.83Å; H908-I912 VanDerWaalsContact O-N 3.09Å; H908-I918 PolarHBondContact NE2-O 3.47Å; H908-I918 VanDerWaalsContact NE2-O 3.14Å; H908-L920 HydrophobicContact CB-CD2 4.38Å; H908-Y967 AromaticContact CE1-CE2 3.93Å; H908-Y967 AromaticContact ND1-CE2 3.68Å; H908-Y967 AromaticContact ND1-CZ 3.59Å; H908-Y967 PolarHBondContact ND1-OH 2.96Å |
| 909 | S | 85.8 | Confident | 89.3 | Confident | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.2 | -38.8 | 175.5 | -167.7 | 0 | 0 | 0 | 0 | 111.9 | M874 S907 S913 S929 | M874-S909 VanDerWaalsContact CE-OG 3.23Å; M874-S909 WeakPolarHBondContact CE-OG 3.18Å; S907-S909 PolarHBondContact O-N 3.13Å; S909-S913 PolarHBondContact O-N 3.42Å; S909-S913 VanDerWaalsContact O-N 3.11Å; S909-S929 PolarHBondContact OG-OG 2.95Å |
| 910 | F | 89.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.8 | -33.7 | 177.8 | -177.2 | -87.6 | 0 | 0 | 0 | 112.2 | M874 L879 V901 L904 A905 S907 H908 I912 S913 S914 M965 | M874-F910 HydrophobicContact CE-CB 4.42Å; M874-F910 HydrophobicContact SD-CB 4.1Å; L879-F910 HydrophobicContact CD1-CD2 4.4Å; L879-F910 HydrophobicContact CD2-CD2 3.89Å; L879-F910 HydrophobicContact CD2-CE2 3.71Å; V901-F910 HydrophobicContact CB-CZ 4.47Å; V901-F910 HydrophobicContact CG1-CE1 4.12Å; V901-F910 HydrophobicContact CG1-CZ 3.81Å; V901-F910 HydrophobicContact CG2-CZ 4.35Å; L904-F910 HydrophobicContact CB-CD2 3.63Å; L904-F910 HydrophobicContact CB-CE2 3.78Å; L904-F910 HydrophobicContact CB-CG 4.02Å; L904-F910 HydrophobicContact CB-CZ 4.3Å; L904-F910 HydrophobicContact CD1-CD2 4.31Å; L904-F910 HydrophobicContact CD1-CE2 4Å; L904-F910 VanDerWaalsContact O-CB 3.29Å; L904-F910 WeakPolarHBondContact O-CB 3.46Å; A905-F910 HydrophobicContact CB-CD1 4.14Å; A905-F910 HydrophobicContact CB-CE1 4.19Å; S907-F910 WeakPolarHBondContact O-CB 3.46Å; S907-F910 PolarHBondContact O-N 3.07Å; H908-F910 VanDerWaalsContact C-N 3.26Å; H908-F910 PolarHBondContact O-N 3.49Å; F910-I912 VanDerWaalsContact C-N 3.35Å; F910-S913 PolarHBondContact O-N 3.11Å; F910-S913 PolarHBondContact O-OG 2.7Å; F910-S914 WeakPolarHBondContact CE1-OG 3.47Å; F910-S914 WeakPolarHBondContact O-CB 3.49Å; F910-S914 PolarHBondContact O-N 2.99Å; F910-S914 PolarHBondContact O-OG 3.27Å; F910-M965 HydrophobicContact CD1-SD 4.42Å; F910-M965 HydrophobicContact CE1-SD 4.1Å |
| 911 | V | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | S907 H908 S914 G915 G916 M965 Y967 D968 I971 | S907-V911 PolarHBondContact O-N 3.37Å; H908-V911 WeakPolarHBondContact O-CB 3.43Å; H908-V911 PolarHBondContact O-N 3.06Å; H908-V911 VanDerWaalsContact O-N 3.13Å; V911-S914 WeakPolarHBondContact O-CB 3.23Å; V911-S914 PolarHBondContact O-N 3.21Å; V911-S914 VanDerWaalsContact O-N 3.14Å; V911-G915 PolarHBondContact O-N 2.93Å; V911-G916 PolarHBondContact O-N 3.15Å; V911-M965 HydrophobicContact CG2-CB 4.3Å; V911-M965 HydrophobicContact CG2-CG 4Å; V911-Y967 HydrophobicContact CG2-CE1 4.28Å; V911-D968 HydrophobicContact CG1-CB 3.75Å; V911-I971 HydrophobicContact CG1-CD1 4.49Å; V911-I971 HydrophobicContact CG1-CG1 3.87Å |
| 912 | I | 86.7 | Confident | 85.2 | Confident | 54 Ų | 54 | 41.4 Ų | 41.4 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 175.7 | -64.4 | 172.9 | 0 | 0 | 0 | 111.3 | H908 F910 S914 G915 I918 L920 | H908-I912 PolarHBondContact O-N 2.83Å; H908-I912 VanDerWaalsContact O-N 3.09Å; F910-I912 VanDerWaalsContact C-N 3.35Å; I912-S914 PolarHBondContact O-N 3.45Å; I912-S914 VanDerWaalsContact O-N 3.12Å; I912-G915 PolarHBondContact O-N 2.72Å; I912-I918 WeakPolarHBondContact CD1-O 3.33Å; I912-L920 HydrophobicContact CD1-CB 4.42Å; I912-L920 HydrophobicContact CD1-CD1 3.73Å; I912-L920 HydrophobicContact CD1-CG 3.54Å |
| 913 | S | 84.4 | Confident | 83.3 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -19.6 | 178.2 | 77.2 | 0 | 0 | 0 | 0 | 113.4 | S909 F910 L932 | S909-S913 PolarHBondContact O-N 3.42Å; S909-S913 VanDerWaalsContact O-N 3.11Å; F910-S913 PolarHBondContact O-N 3.11Å; F910-S913 PolarHBondContact O-OG 2.7Å; S913-L932 WeakPolarHBondContact CB-O 3.42Å |
| 914 | S | 87.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.1 | 174.7 | -56.1 | 0 | 0 | 0 | 0 | 113.4 | F910 V911 I912 R938 K974 | F910-S914 WeakPolarHBondContact CE1-OG 3.47Å; F910-S914 WeakPolarHBondContact O-CB 3.49Å; F910-S914 PolarHBondContact O-N 2.99Å; F910-S914 PolarHBondContact O-OG 3.27Å; V911-S914 WeakPolarHBondContact O-CB 3.23Å; V911-S914 PolarHBondContact O-N 3.21Å; V911-S914 VanDerWaalsContact O-N 3.14Å; I912-S914 PolarHBondContact O-N 3.45Å; I912-S914 VanDerWaalsContact O-N 3.12Å; S914-R938 PolarHBondContact OG-NH1 3.08Å; S914-K974 WeakPolarHBondContact O-CD 3.43Å; S914-K974 PolarHBondContact O-NZ 3.45Å |
| 915 | G | 86 | Confident | 79.6 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.8 | 20.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V911 I912 | V911-G915 PolarHBondContact O-N 2.93Å; I912-G915 PolarHBondContact O-N 2.72Å |
| 916 | G | 86.4 | Confident | 77.8 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | trans | -62.1 | 154.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V911 D968 | V911-G916 PolarHBondContact O-N 3.15Å; G916-D968 VanDerWaalsContact CA-CG 3.42Å; G916-D968 WeakPolarHBondContact CA-OD1 3.49Å; G916-D968 WeakPolarHBondContact CA-OD2 3.28Å | ||
| 917 | T | 84.7 | Confident | 76 | Confident | 88 Ų | 88 | 55.5 Ų | 55.5 | 54% | 0.54 | 32% | 0.316 | S | S | . | . | trans | -114.8 | -16.7 | -173.3 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | P919 D968 G970 | T917-P919 WeakPolarHBondContact O-CD 3.43Å; T917-D968 PolarHBondContact N-OD1 2.96Å; T917-D968 PolarHBondContact N-OD2 3.29Å; T917-D968 PolarHBondContact OG1-OD1 3.49Å; T917-G970 PolarHBondContact OG1-N 3.25Å; T917-G970 VanDerWaalsContact OG1-N 3.11Å | ||
| 918 | I | 84 | Confident | 74.2 | Confident | 64 Ų | 64 | 61.2 Ų | 61.2 | 33% | 0.328 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -73.7 | 123.8 | 175.5 | -62.4 | 169.3 | 0 | 0 | 0 | 108.2 | H908 I912 Y967 D968 | H908-I918 PolarHBondContact NE2-O 3.47Å; H908-I918 VanDerWaalsContact NE2-O 3.14Å; I912-I918 WeakPolarHBondContact CD1-O 3.33Å; I918-Y967 HydrophobicContact CD1-CD2 4.01Å; I918-Y967 HydrophobicContact CD1-CE2 4.16Å; I918-D968 WeakPolarHBondContact CB-OD2 3.43Å; I918-D968 HydrophobicContact CD1-CB 4.2Å; I918-D968 WeakPolarHBondContact CG1-OD2 3.43Å; I918-D968 PolarHBondContact N-OD2 3.38Å |
| 919 | P | 75.3 | Confident | 72.4 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 66% | 0.662 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 150.9 | 177.8 | -17.6 | 31.9 | 0 | 0 | 0 | 112.8 | T917 | T917-P919 WeakPolarHBondContact O-CD 3.43Š|
| 920 | L | 69.5 | Low | 70.7 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 20% | 0.199 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 132 | 168.2 | -78.2 | 154.2 | 0 | 0 | 0 | 110.7 | H908 I912 D922 I925 A926 | H908-L920 HydrophobicContact CB-CD2 4.38Å; I912-L920 HydrophobicContact CD1-CB 4.42Å; I912-L920 HydrophobicContact CD1-CD1 3.73Å; I912-L920 HydrophobicContact CD1-CG 3.54Å; L920-D922 PolarHBondContact O-N 3.14Å; L920-I925 HydrophobicContact CD1-CB 4.47Å; L920-I925 HydrophobicContact CD1-CG2 3.93Å; L920-A926 HydrophobicContact CB-CB 4.33Å |
| 921 | D | 66 | Low | 68.8 | Low | 168 Ų | 168 | 73.5 Ų | 73.5 | 90% | 0.898 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -62.6 | -34 | 170.9 | -68.5 | -32.1 | 0 | 0 | 0 | 111.8 | T923 | D921-T923 PolarHBondContact O-N 3.31Š|
| 922 | D | 62.8 | Low | 67 | Low | 100 Ų | 100 | 74.6 Ų | 74.6 | 54% | 0.535 | 41% | 0.407 | S | S | . | . | trans | -84.4 | 104.2 | -175.1 | -113.8 | -27 | 0 | 0 | 0 | 112.5 | L920 D924 I925 A926 | L920-D922 PolarHBondContact O-N 3.14Å; D922-D924 PolarHBondContact O-N 3.21Å; D922-I925 HydrophobicContact CB-CB 4.34Å; D922-I925 HydrophobicContact CB-CD1 3.98Å; D922-I925 HydrophobicContact CB-CG1 4.13Å; D922-I925 PolarHBondContact O-N 3.41Å; D922-A926 PolarHBondContact O-N 3.09Å | ||
| 923 | T | 55.9 | Low | 65.3 | Low | 92 Ų | 92 | 78.5 Ų | 78.5 | 56% | 0.564 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60 | -29.1 | -177.4 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | D921 K927 | D921-T923 PolarHBondContact O-N 3.31Å; T923-K927 WeakPolarHBondContact O-CG 3.34Å; T923-K927 PolarHBondContact O-N 3.43Å; T923-K927 VanDerWaalsContact O-N 3.12Å |
| 924 | D | 56.4 | Low | 63.7 | Low | 106 Ų | 106 | 79.4 Ų | 79.4 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -74.8 | -34.4 | 179.6 | -83.6 | -14.7 | 0 | 0 | 0 | 113 | D922 | D922-D924 PolarHBondContact O-N 3.21Å |
| 925 | I | 56.1 | Low | 62.3 | Low | 56 Ų | 56 | 81.3 Ų | 81.3 | 29% | 0.287 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -75 | -43.3 | 175 | -57.9 | 176.3 | 0 | 0 | 0 | 108.7 | Y871 L920 D922 K927 K928 S929 | Y871-I925 HydrophobicContact CD2-CG2 4.39Å; Y871-I925 HydrophobicContact CE2-CG2 4.18Å; L920-I925 HydrophobicContact CD1-CB 4.47Å; L920-I925 HydrophobicContact CD1-CG2 3.93Å; D922-I925 HydrophobicContact CB-CB 4.34Å; D922-I925 HydrophobicContact CB-CD1 3.98Å; D922-I925 HydrophobicContact CB-CG1 4.13Å; D922-I925 PolarHBondContact O-N 3.41Å; I925-K927 PolarHBondContact O-N 3.48Å; I925-K928 PolarHBondContact O-N 3.37Å; I925-K928 VanDerWaalsContact O-N 3.17Å; I925-S929 WeakPolarHBondContact O-CB 3.32Å; I925-S929 PolarHBondContact O-N 3.19Å; I925-S929 PolarHBondContact O-OG 3.02Å; I925-S929 VanDerWaalsContact O-OG 3.12Å |
| 926 | A | 54.8 | Low | 61.2 | Low | 38 Ų | 38 | 84.9 Ų | 84.9 | 31% | 0.314 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | L920 D922 K928 S929 L930 | L920-A926 HydrophobicContact CB-CB 4.33Å; D922-A926 PolarHBondContact O-N 3.09Å; A926-K928 PolarHBondContact O-N 2.83Å; A926-S929 PolarHBondContact O-N 3.17Å; A926-L930 PolarHBondContact O-N 3.08Å |
| 927 | K | 54.9 | Low | 61 | Low | 148 Ų | 148 | 87.9 Ų | 87.9 | 64% | 0.643 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 177.3 | -76.5 | 172.5 | -176 | 168.1 | 0 | 113.1 | T923 I925 | T923-K927 WeakPolarHBondContact O-CG 3.34Å; T923-K927 PolarHBondContact O-N 3.43Å; T923-K927 VanDerWaalsContact O-N 3.12Å; I925-K927 PolarHBondContact O-N 3.48Å |
| 928 | K | 53.4 | Low | 61.3 | Low | 132 Ų | 132 | 83.8 Ų | 83.8 | 57% | 0.574 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -78.1 | -29.8 | 179.5 | -68 | 178.6 | -174.2 | 170.3 | 0 | 112.3 | Y871 I925 A926 | Y871-K928 WeakPolarHBondContact OH-CB 3.35Å; Y871-K928 WeakPolarHBondContact OH-CD 3.34Å; I925-K928 PolarHBondContact O-N 3.37Å; I925-K928 VanDerWaalsContact O-N 3.17Å; A926-K928 PolarHBondContact O-N 2.83Å |
| 929 | S | 51.6 | Low | 61.7 | Low | 19 Ų | 19 | 80.8 Ų | 80.8 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -80 | -9.7 | 177.7 | -65 | 0 | 0 | 0 | 0 | 114.2 | S909 I925 A926 H931 L932 | S909-S929 PolarHBondContact OG-OG 2.95Å; I925-S929 WeakPolarHBondContact O-CB 3.32Å; I925-S929 PolarHBondContact O-N 3.19Å; I925-S929 PolarHBondContact O-OG 3.02Å; I925-S929 VanDerWaalsContact O-OG 3.12Å; A926-S929 PolarHBondContact O-N 3.17Å; S929-H931 PolarHBondContact O-N 2.94Å; S929-H931 VanDerWaalsContact O-N 3.15Å; S929-L932 VanDerWaalsContact O-CB 3.31Å; S929-L932 WeakPolarHBondContact O-CB 3.46Å; S929-L932 PolarHBondContact O-N 3.11Å |
| 930 | L | 48.7 | Very low | 62.5 | Low | 135 Ų | 135 | 80.4 Ų | 80.4 | 71% | 0.707 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -21.9 | 179 | -156.3 | 76.3 | 0 | 0 | 0 | 112.9 | A926 L932 | A926-L930 PolarHBondContact O-N 3.08Å; L930-L932 VanDerWaalsContact C-N 3.29Å |
| 931 | H | 50.3 | Low | 63.6 | Low | 152 Ų | 152 | 79.7 Ų | 79.7 | 70% | 0.704 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 4.3 | 174.9 | -61.8 | -60.4 | 0 | 0 | 0 | 114 | S929 | S929-H931 PolarHBondContact O-N 2.94Å; S929-H931 VanDerWaalsContact O-N 3.15Å |
| 932 | L | 50.9 | Low | 65 | Low | 24 Ų | 24 | 71.7 Ų | 71.7 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | trans | -103.3 | 16.8 | -172.1 | -98.9 | 87.9 | 0 | 0 | 0 | 115.4 | M874 L879 S913 S929 L930 C934 | M874-L932 HydrophobicContact CB-CD2 3.61Å; M874-L932 HydrophobicContact CE-CD2 3.29Å; M874-L932 HydrophobicContact CG-CD2 4.05Å; L879-L932 HydrophobicContact CD1-CD2 3.82Å; S913-L932 WeakPolarHBondContact CB-O 3.42Å; S929-L932 VanDerWaalsContact O-CB 3.31Å; S929-L932 WeakPolarHBondContact O-CB 3.46Å; S929-L932 PolarHBondContact O-N 3.11Å; L930-L932 VanDerWaalsContact C-N 3.29Å; L932-C934 VanDerWaalsContact C-N 3.34Å; L932-C934 PolarHBondContact O-N 3.44Å | ||
| 933 | T | 51.4 | Low | 66.5 | Low | 135 Ų | 135 | 67 Ų | 67 | 83% | 0.828 | 36% | 0.355 | S | S | * | . | trans | -62.7 | 96.1 | 174.3 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 934 | C | 51.2 | Low | 68.3 | Low | 30 Ų | 30 | 66 Ų | 66 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | trans | -106.3 | 171.8 | -176.8 | -161.9 | 0 | 0 | 0 | 0 | 110 | D883 L932 R938 | D883-C934 PolarHBondContact OD2-SG 2.99Å; L932-C934 VanDerWaalsContact C-N 3.34Å; L932-C934 PolarHBondContact O-N 3.44Å; C934-R938 PolarHBondContact SG-NH2 3.07Å | ||
| 935 | S | 57.7 | Low | 70.2 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -43.3 | 134 | -163.2 | 72.3 | 0 | 0 | 0 | 0 | 115.3 | D883 E937 | D883-S935 PolarHBondContact OD2-OG 2.89Å; S935-E937 PolarHBondContact O-N 3.13Å | ||
| 936 | T | 63.3 | Low | 72 | Confident | 99 Ų | 99 | 59 Ų | 59 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.7 | -179.6 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 937 | E | 82.6 | Confident | 73.8 | Confident | 77 Ų | 77 | 59 Ų | 59 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -6.3 | -168.2 | -56.7 | -57.1 | 107.5 | 0 | 0 | 114.7 | F887 S935 V939 K940 L941 | F887-E937 HydrophobicContact CZ-CB 4.46Å; S935-E937 PolarHBondContact O-N 3.13Å; E937-V939 PolarHBondContact O-N 3.12Å; E937-K940 WeakPolarHBondContact O-CB 3.23Å; E937-K940 PolarHBondContact O-N 3.22Å; E937-K940 VanDerWaalsContact O-N 3.13Å; E937-K940 WeakPolarHBondContact OE2-CD 3.49Å; E937-K940 IonicContact OE2-NZ 3.76Å; E937-K940 PolarHBondContact OE2-NZ 3.3Å; E937-L941 PolarHBondContact O-N 3.34Å |
| 938 | R | 89.9 | Confident | 75.5 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.7 | -49.3 | -177.1 | -171.9 | -175.1 | -59.7 | 116.4 | 7.6 | 113 | D883 L886 S914 C934 K940 L941 L942 | D883-R938 IonicContact OD1-CZ 2.77Å; D883-R938 VanDerWaalsContact OD1-CZ 3.26Å; D883-R938 IonicContact OD1-NE 2.73Å; D883-R938 PolarHBondContact OD1-NE 3.34Å; D883-R938 IonicContact OD1-NH2 3.2Å; D883-R938 PolarHBondContact OD1-NH2 2.99Å; D883-R938 IonicContact OD2-CZ 3.18Å; D883-R938 IonicContact OD2-NE 3.33Å; D883-R938 IonicContact OD2-NH2 3.66Å; D883-R938 PolarHBondContact OD2-NH2 3.35Å; L886-R938 HydrophobicContact CD1-CG 4.17Å; S914-R938 PolarHBondContact OG-NH1 3.08Å; C934-R938 PolarHBondContact SG-NH2 3.07Å; R938-K940 VanDerWaalsContact C-N 3.29Å; R938-K940 PolarHBondContact O-N 2.92Å; R938-L941 PolarHBondContact O-N 3.19Å; R938-L942 HydrophobicContact CG-CD1 4.3Å; R938-L942 WeakPolarHBondContact O-CG 3.44Å; R938-L942 PolarHBondContact O-N 3.25Å |
| 939 | V | 91.9 | Very high | 77.1 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | E937 L941 L942 V943 L962 M965 I971 K974 I975 | E937-V939 PolarHBondContact O-N 3.12Å; V939-L941 PolarHBondContact O-N 3.4Å; V939-L942 PolarHBondContact O-N 3.39Å; V939-V943 VanDerWaalsContact O-CG2 3.28Å; V939-V943 WeakPolarHBondContact O-CG2 3.25Å; V939-V943 PolarHBondContact O-N 2.78Å; V939-L962 HydrophobicContact CG1-CD2 4.25Å; V939-M965 HydrophobicContact CG2-CE 4.05Å; V939-I971 HydrophobicContact CG1-CG2 4.4Å; V939-I971 HydrophobicContact CG2-CD1 3.99Å; V939-K974 HydrophobicContact CB-CB 4.11Å; V939-K974 HydrophobicContact CB-CD 4.35Å; V939-K974 HydrophobicContact CG1-CB 3.83Å; V939-K974 HydrophobicContact CG2-CB 4.46Å; V939-K974 HydrophobicContact CG2-CD 4.12Å; V939-I975 HydrophobicContact CG1-CG1 3.54Å |
| 940 | K | 93.1 | Very high | 78.8 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 177.5 | 174.7 | -176.7 | 176.2 | -172.3 | 0 | 111.4 | E937 R938 V943 L944 V978 | E937-K940 WeakPolarHBondContact O-CB 3.23Å; E937-K940 PolarHBondContact O-N 3.22Å; E937-K940 VanDerWaalsContact O-N 3.13Å; E937-K940 WeakPolarHBondContact OE2-CD 3.49Å; E937-K940 IonicContact OE2-NZ 3.76Å; E937-K940 PolarHBondContact OE2-NZ 3.3Å; R938-K940 VanDerWaalsContact C-N 3.29Å; R938-K940 PolarHBondContact O-N 2.92Å; K940-V943 PolarHBondContact O-N 3.27Å; K940-L944 HydrophobicContact CG-CD1 4.46Å; K940-L944 WeakPolarHBondContact O-CG 3.3Å; K940-L944 PolarHBondContact O-N 3.02Å; K940-V978 HydrophobicContact CB-CG2 3.93Å; K940-V978 HydrophobicContact CG-CG1 4.37Å; K940-V978 HydrophobicContact CG-CG2 3.85Å |
| 941 | L | 92.5 | Very high | 80.8 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.6 | -170.2 | 65.3 | 0 | 0 | 0 | 111.9 | L886 F887 E937 R938 V939 V943 L944 Y945 | L886-L941 HydrophobicContact CB-CD2 3.71Å; F887-L941 HydrophobicContact CD1-CD2 3.97Å; F887-L941 HydrophobicContact CE1-CD1 4.28Å; F887-L941 HydrophobicContact CE1-CD2 3.77Å; F887-L941 HydrophobicContact CE1-CG 4.5Å; F887-L941 HydrophobicContact CE2-CD2 4.33Å; F887-L941 HydrophobicContact CG-CD2 4.35Å; F887-L941 HydrophobicContact CZ-CD2 3.95Å; E937-L941 PolarHBondContact O-N 3.34Å; R938-L941 PolarHBondContact O-N 3.19Å; V939-L941 PolarHBondContact O-N 3.4Å; L941-V943 VanDerWaalsContact C-N 3.28Å; L941-V943 PolarHBondContact O-N 3.3Å; L941-L944 PolarHBondContact O-N 3.43Å; L941-L944 VanDerWaalsContact O-N 3.11Å; L941-Y945 HydrophobicContact CD1-CE1 3.84Å; L941-Y945 HydrophobicContact CD1-CE2 4.17Å; L941-Y945 HydrophobicContact CD2-CE2 3.85Å; L941-Y945 HydrophobicContact CG-CD2 4.21Å; L941-Y945 HydrophobicContact CG-CE1 4.19Å; L941-Y945 HydrophobicContact CG-CE2 3.62Å; L941-Y945 PolarHBondContact O-N 3.08Å |
| 942 | L | 94.8 | Very high | 82.8 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -37.9 | 175.4 | -68.3 | 171.5 | 0 | 0 | 0 | 112.3 | T898 V901 R938 V939 Y945 C946 A958 A961 L962 | T898-L942 HydrophobicContact CG2-CD2 3.91Å; V901-L942 HydrophobicContact CG1-CD1 4.08Å; V901-L942 HydrophobicContact CG1-CD2 4.16Å; R938-L942 HydrophobicContact CG-CD1 4.3Å; R938-L942 WeakPolarHBondContact O-CG 3.44Å; R938-L942 PolarHBondContact O-N 3.25Å; V939-L942 PolarHBondContact O-N 3.39Å; L942-Y945 PolarHBondContact O-N 3.25Å; L942-C946 PolarHBondContact O-N 2.91Å; L942-C946 VanDerWaalsContact O-N 3.16Å; L942-C946 PolarHBondContact O-SG 3.13Å; L942-A958 HydrophobicContact CD2-CB 4.31Å; L942-A961 HydrophobicContact CD1-CB 4.02Å; L942-A961 HydrophobicContact CD2-CB 4.29Å; L942-L962 HydrophobicContact CB-CD1 4.49Å; L942-L962 HydrophobicContact CB-CD2 3.88Å; L942-L962 HydrophobicContact CB-CG 4.12Å; L942-L962 HydrophobicContact CD1-CD2 4.28Å |
| 943 | V | 95.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | V939 K940 L941 Y945 C946 L962 I975 V978 W981 I984 | V939-V943 VanDerWaalsContact O-CG2 3.28Å; V939-V943 WeakPolarHBondContact O-CG2 3.25Å; V939-V943 PolarHBondContact O-N 2.78Å; K940-V943 PolarHBondContact O-N 3.27Å; L941-V943 VanDerWaalsContact C-N 3.28Å; L941-V943 PolarHBondContact O-N 3.3Å; V943-Y945 PolarHBondContact O-N 3.43Å; V943-C946 WeakPolarHBondContact O-CB 3.28Å; V943-C946 PolarHBondContact O-N 3.02Å; V943-L962 HydrophobicContact CG2-CD1 3.79Å; V943-L962 HydrophobicContact CG2-CD2 4.28Å; V943-I975 HydrophobicContact CG2-CB 4.16Å; V943-I975 HydrophobicContact CG2-CG1 3.99Å; V943-I975 HydrophobicContact CG2-CG2 3.69Å; V943-V978 HydrophobicContact CB-CB 4.46Å; V943-V978 HydrophobicContact CB-CG1 4.38Å; V943-V978 HydrophobicContact CB-CG2 4.12Å; V943-V978 HydrophobicContact CG1-CB 4Å; V943-V978 HydrophobicContact CG1-CG1 3.87Å; V943-V978 HydrophobicContact CG1-CG2 4.19Å; V943-V978 HydrophobicContact CG2-CG2 4.28Å; V943-W981 HydrophobicContact CG1-CB 4.18Å; V943-I984 HydrophobicContact CG1-CD1 4.18Å; V943-I984 WeakPolarHBondContact O-CD1 3.44Å |
| 944 | L | 94.4 | Very high | 86.8 | Confident | 72 Ų | 72 | 42.7 Ų | 42.7 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.2 | -65.2 | 175.1 | 0 | 0 | 0 | 112.1 | K940 L941 C946 G947 V978 | K940-L944 HydrophobicContact CG-CD1 4.46Å; K940-L944 WeakPolarHBondContact O-CG 3.3Å; K940-L944 PolarHBondContact O-N 3.02Å; L941-L944 PolarHBondContact O-N 3.43Å; L941-L944 VanDerWaalsContact O-N 3.11Å; L944-C946 PolarHBondContact O-N 3.01Å; L944-G947 WeakPolarHBondContact O-CA 3.42Å; L944-G947 PolarHBondContact O-N 2.72Å; L944-V978 HydrophobicContact CD2-CG1 4.12Å |
| 945 | Y | 94.8 | Very high | 88.9 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -23.8 | 175.8 | -70 | -16.2 | 0 | 0 | 0 | 114.3 | L886 R894 L941 L942 V943 G947 E948 L954 V955 | L886-Y945 PolarHBondContact O-OH 3.17Å; R894-Y945 VanDerWaalsContact CD-OH 3.29Å; R894-Y945 WeakPolarHBondContact CD-OH 2.98Å; R894-Y945 HydrophobicContact CG-CE1 4.47Å; R894-Y945 HydrophobicContact CG-CE2 3.92Å; L941-Y945 HydrophobicContact CD1-CE1 3.84Å; L941-Y945 HydrophobicContact CD1-CE2 4.17Å; L941-Y945 HydrophobicContact CD2-CE2 3.85Å; L941-Y945 HydrophobicContact CG-CD2 4.21Å; L941-Y945 HydrophobicContact CG-CE1 4.19Å; L941-Y945 HydrophobicContact CG-CE2 3.62Å; L941-Y945 PolarHBondContact O-N 3.08Å; L942-Y945 PolarHBondContact O-N 3.25Å; V943-Y945 PolarHBondContact O-N 3.43Å; Y945-G947 PolarHBondContact O-N 3.23Å; Y945-E948 WeakPolarHBondContact CD1-OE1 3.39Å; Y945-E948 PolarHBondContact O-N 2.97Å; Y945-L954 HydrophobicContact CD1-CD2 4.1Å; Y945-L954 HydrophobicContact CD2-CD1 3.92Å; Y945-L954 HydrophobicContact CD2-CG 4.48Å; Y945-L954 HydrophobicContact CE2-CD1 4.45Å; Y945-L954 HydrophobicContact CG-CD1 4.17Å; Y945-L954 HydrophobicContact CG-CD2 4.07Å; Y945-L954 HydrophobicContact CG-CG 4.23Å; Y945-V955 WeakPolarHBondContact O-CG2 3.16Å |
| 946 | C | 94.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.8 | 169.7 | -70.5 | 0 | 0 | 0 | 0 | 112.9 | L942 V943 L944 S959 I984 L988 | L942-C946 PolarHBondContact O-N 2.91Å; L942-C946 VanDerWaalsContact O-N 3.16Å; L942-C946 PolarHBondContact O-SG 3.13Å; V943-C946 WeakPolarHBondContact O-CB 3.28Å; V943-C946 PolarHBondContact O-N 3.02Å; L944-C946 PolarHBondContact O-N 3.01Å; C946-S959 PolarHBondContact SG-N 3.39Å; C946-S959 VanDerWaalsContact SG-N 3.43Å; C946-I984 HydrophobicContact CB-CG2 3.43Å; C946-I984 VanDerWaalsContact CB-CG2 3.43Å; C946-L988 HydrophobicContact CB-CD1 3.75Å; C946-L988 HydrophobicContact CB-CG 4.48Å |
| 947 | G | 92.2 | Very high | 92.1 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 39% | 0.392 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -10.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L944 Y945 L949 | L944-G947 WeakPolarHBondContact O-CA 3.42Å; L944-G947 PolarHBondContact O-N 2.72Å; Y945-G947 PolarHBondContact O-N 3.23Å; G947-L949 VanDerWaalsContact C-N 3.3Å; G947-L949 PolarHBondContact O-N 2.89Å |
| 948 | E | 91.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 34.9 Ų | 34.9 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | trans | -81.5 | 70.2 | 179.3 | -69.5 | -167.9 | -162.3 | 0 | 0 | 111.5 | R894 Y945 D950 D951 L954 V955 | R894-E948 IonicContact CZ-OE1 3.56Å; R894-E948 IonicContact CZ-OE2 3.79Å; R894-E948 VanDerWaalsContact NH1-CD 3.33Å; R894-E948 IonicContact NH1-OE1 2.7Å; R894-E948 PolarHBondContact NH1-OE1 3.5Å; R894-E948 IonicContact NH1-OE2 3.75Å; R894-E948 PolarHBondContact NH1-OE2 3.39Å; R894-E948 IonicContact NH2-OE2 2.76Å; R894-E948 PolarHBondContact NH2-OE2 3.44Å; Y945-E948 WeakPolarHBondContact CD1-OE1 3.39Å; Y945-E948 PolarHBondContact O-N 2.97Å; E948-D950 PolarHBondContact O-N 3.18Å; E948-D951 PolarHBondContact O-N 3.22Å; E948-D951 VanDerWaalsContact O-N 3.11Å; E948-L954 HydrophobicContact CB-CD2 4.43Å; E948-L954 WeakPolarHBondContact OE2-CD2 3.17Å; E948-V955 WeakPolarHBondContact O-CG2 3.44Å | ||
| 949 | L | 87.2 | Confident | 93 | Very high | 67 Ų | 67 | 34.8 Ų | 34.8 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.5 | -175.8 | -63.5 | 178.9 | 0 | 0 | 0 | 114.8 | G947 D951 T987 | G947-L949 VanDerWaalsContact C-N 3.3Å; G947-L949 PolarHBondContact O-N 2.89Å; L949-D951 PolarHBondContact O-N 3.24Å; L949-T987 HydrophobicContact CD1-CG2 3.88Å |
| 950 | D | 87.8 | Confident | 93.2 | Very high | 175 Ų | 175 | 35.3 Ų | 35.3 | 94% | 0.936 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27 | 173.5 | -61.9 | -31.6 | 0 | 0 | 0 | 112.4 | E948 | E948-D950 PolarHBondContact O-N 3.18Š|
| 951 | D | 90.4 | Very high | 93.3 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | trans | -121.9 | 86.2 | 176.1 | -172 | -12.6 | 0 | 0 | 0 | 111.4 | R895 E948 L949 L953 L954 V955 | R895-D951 IonicContact CZ-OD1 2.75Å; R895-D951 IonicContact CZ-OD2 2.79Å; R895-D951 VanDerWaalsContact CZ-OD2 3.31Å; R895-D951 IonicContact NE-OD1 3.52Å; R895-D951 PolarHBondContact NE-OD1 3.47Å; R895-D951 IonicContact NE-OD2 3.95Å; R895-D951 PolarHBondContact NE-OD2 3.46Å; R895-D951 IonicContact NH2-OD1 2.73Å; R895-D951 PolarHBondContact NH2-OD1 3.21Å; R895-D951 IonicContact NH2-OD2 3.78Å; R895-D951 PolarHBondContact NH2-OD2 3.17Å; E948-D951 PolarHBondContact O-N 3.22Å; E948-D951 VanDerWaalsContact O-N 3.11Å; L949-D951 PolarHBondContact O-N 3.24Å; D951-L953 PolarHBondContact O-N 3.17Å; D951-L953 VanDerWaalsContact O-N 3.12Å; D951-L953 WeakPolarHBondContact OD1-CB 3.48Å; D951-L953 PolarHBondContact OD1-N 3.32Å; D951-L953 VanDerWaalsContact OD1-N 3.1Å; D951-L954 HydrophobicContact CB-CB 3.86Å; D951-L954 WeakPolarHBondContact O-CB 3.43Å; D951-L954 PolarHBondContact O-N 3.34Å; D951-L954 VanDerWaalsContact O-N 3.08Å; D951-L954 PolarHBondContact OD1-N 3.22Å; D951-L954 VanDerWaalsContact OD1-N 3.09Å; D951-V955 WeakPolarHBondContact O-CG2 3.32Å; D951-V955 PolarHBondContact O-N 2.69Å | ||
| 952 | L | 91.9 | Very high | 93.5 | Very high | 27 Ų | 27 | 29.9 Ų | 29.9 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.3 | -25.7 | 179.9 | -62.7 | -179.6 | 0 | 0 | 0 | 113.9 | R956 L996 D1046 L1050 | L952-R956 VanDerWaalsContact O-CB 3.3Å; L952-R956 WeakPolarHBondContact O-CB 3Å; L952-R956 PolarHBondContact O-N 2.88Å; L952-L996 HydrophobicContact CD2-CD1 4.34Å; L952-D1046 WeakPolarHBondContact CD1-O 3.39Å; L952-L1050 HydrophobicContact CB-CD2 4.03Å |
| 953 | L | 91.8 | Very high | 93.5 | Very high | 55 Ų | 55 | 30.2 Ų | 30.2 | 29% | 0.288 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -74.5 | -39.6 | 176.9 | -71.1 | 170.4 | 0 | 0 | 0 | 111.3 | R895 D951 R956 A957 L1050 | R895-L953 HydrophobicContact CG-CB 4.28Å; D951-L953 PolarHBondContact O-N 3.17Å; D951-L953 VanDerWaalsContact O-N 3.12Å; D951-L953 WeakPolarHBondContact OD1-CB 3.48Å; D951-L953 PolarHBondContact OD1-N 3.32Å; D951-L953 VanDerWaalsContact OD1-N 3.1Å; L953-R956 PolarHBondContact O-N 3.24Å; L953-A957 PolarHBondContact O-N 3.13Å; L953-L1050 HydrophobicContact CD2-CD2 3.99Å |
| 954 | L | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 171.4 | 177.5 | 64.9 | 0 | 0 | 0 | 110.7 | R894 T898 Y945 E948 D951 R956 A957 A958 | R894-L954 HydrophobicContact CG-CD1 4.26Å; T898-L954 HydrophobicContact CG2-CD1 4.01Å; T898-L954 VanDerWaalsContact OG1-CD1 3.32Å; T898-L954 WeakPolarHBondContact OG1-CD1 3.38Å; Y945-L954 HydrophobicContact CD1-CD2 4.1Å; Y945-L954 HydrophobicContact CD2-CD1 3.92Å; Y945-L954 HydrophobicContact CD2-CG 4.48Å; Y945-L954 HydrophobicContact CE2-CD1 4.45Å; Y945-L954 HydrophobicContact CG-CD1 4.17Å; Y945-L954 HydrophobicContact CG-CD2 4.07Å; Y945-L954 HydrophobicContact CG-CG 4.23Å; E948-L954 HydrophobicContact CB-CD2 4.43Å; E948-L954 WeakPolarHBondContact OE2-CD2 3.17Å; D951-L954 HydrophobicContact CB-CB 3.86Å; D951-L954 WeakPolarHBondContact O-CB 3.43Å; D951-L954 PolarHBondContact O-N 3.34Å; D951-L954 VanDerWaalsContact O-N 3.08Å; D951-L954 PolarHBondContact OD1-N 3.22Å; D951-L954 VanDerWaalsContact OD1-N 3.09Å; L954-R956 VanDerWaalsContact C-N 3.31Å; L954-R956 PolarHBondContact O-N 3.01Å; L954-A957 PolarHBondContact O-N 2.91Å; L954-A958 WeakPolarHBondContact O-CB 3.46Å; L954-A958 PolarHBondContact O-N 3.34Å |
| 955 | V | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | Y945 E948 D951 A958 S959 L988 L996 | Y945-V955 WeakPolarHBondContact O-CG2 3.16Å; E948-V955 WeakPolarHBondContact O-CG2 3.44Å; D951-V955 WeakPolarHBondContact O-CG2 3.32Å; D951-V955 PolarHBondContact O-N 2.69Å; V955-A958 PolarHBondContact O-N 3.45Å; V955-S959 VanDerWaalsContact O-CB 3.27Å; V955-S959 WeakPolarHBondContact O-CB 3.32Å; V955-S959 PolarHBondContact O-N 3.36Å; V955-S959 PolarHBondContact O-OG 2.85Å; V955-L988 HydrophobicContact CG1-CD2 3.48Å; V955-L988 VanDerWaalsContact CG1-CD2 3.48Å; V955-L996 HydrophobicContact CG1-CD1 3.91Å; V955-L996 HydrophobicContact CG1-CD2 4.05Å |
| 956 | R | 93.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 28.2 Ų | 28.2 | 28% | 0.279 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.5 | 174.9 | 179 | 167.9 | 167.3 | -3.6 | 112.4 | L952 L953 L954 S959 G960 L996 L1050 | L952-R956 VanDerWaalsContact O-CB 3.3Å; L952-R956 WeakPolarHBondContact O-CB 3Å; L952-R956 PolarHBondContact O-N 2.88Å; L953-R956 PolarHBondContact O-N 3.24Å; L954-R956 VanDerWaalsContact C-N 3.31Å; L954-R956 PolarHBondContact O-N 3.01Å; R956-S959 PolarHBondContact O-OG 2.92Å; R956-G960 PolarHBondContact O-N 3.47Å; R956-L996 HydrophobicContact CB-CD2 4Å; R956-L1050 HydrophobicContact CB-CD2 4.22Å; R956-L1050 PolarHBondContact NH1-O 2.92Å |
| 957 | A | 94.3 | Very high | 93.4 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -47.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T898 E899 A902 L953 L954 G960 A961 | T898-A957 HydrophobicContact CG2-CB 3.71Å; E899-A957 HydrophobicContact CB-CB 4.23Å; A902-A957 WeakPolarHBondContact CB-O 3.23Å; L953-A957 PolarHBondContact O-N 3.13Å; L954-A957 PolarHBondContact O-N 2.91Å; A957-G960 PolarHBondContact O-N 3.17Å; A957-A961 PolarHBondContact O-N 3.29Å |
| 958 | A | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -49.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T898 L942 L954 V955 G960 A961 L962 | T898-A958 HydrophobicContact CG2-CB 3.91Å; L942-A958 HydrophobicContact CD2-CB 4.31Å; L954-A958 WeakPolarHBondContact O-CB 3.46Å; L954-A958 PolarHBondContact O-N 3.34Å; V955-A958 PolarHBondContact O-N 3.45Å; A958-G960 VanDerWaalsContact C-N 3.27Å; A958-G960 PolarHBondContact O-N 3.27Å; A958-A961 WeakPolarHBondContact O-CB 3.33Å; A958-A961 PolarHBondContact O-N 2.72Å; A958-L962 WeakPolarHBondContact O-CG 3.46Å; A958-L962 PolarHBondContact O-N 2.84Å |
| 959 | S | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -33.5 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 112 | C946 V955 R956 L962 A963 R999 | C946-S959 PolarHBondContact SG-N 3.39Å; C946-S959 VanDerWaalsContact SG-N 3.43Å; V955-S959 VanDerWaalsContact O-CB 3.27Å; V955-S959 WeakPolarHBondContact O-CB 3.32Å; V955-S959 PolarHBondContact O-N 3.36Å; V955-S959 PolarHBondContact O-OG 2.85Å; R956-S959 PolarHBondContact O-OG 2.92Å; S959-L962 PolarHBondContact O-N 2.82Å; S959-A963 VanDerWaalsContact O-CB 3.26Å; S959-A963 WeakPolarHBondContact O-CB 3.46Å; S959-A963 PolarHBondContact O-N 3.37Å; S959-R999 VanDerWaalsContact OG-CD 3.27Å; S959-R999 WeakPolarHBondContact OG-CD 3.44Å |
| 960 | G | 95.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 12% | 0.124 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | R956 A957 A958 S964 | R956-G960 PolarHBondContact O-N 3.47Å; A957-G960 PolarHBondContact O-N 3.17Å; A958-G960 VanDerWaalsContact C-N 3.27Å; A958-G960 PolarHBondContact O-N 3.27Å; G960-S964 WeakPolarHBondContact O-CB 3.31Å; G960-S964 PolarHBondContact O-N 3.13Å; G960-S964 VanDerWaalsContact O-N 3.09Å; G960-S964 PolarHBondContact O-OG 2.7Å |
| 961 | A | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.1 | -50.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V901 A902 A905 L942 A957 A958 A963 S964 M965 | V901-A961 HydrophobicContact CG1-CB 4.25Å; A902-A961 HydrophobicContact CB-CB 4.06Å; A905-A961 HydrophobicContact CB-CB 4.24Å; L942-A961 HydrophobicContact CD1-CB 4.02Å; L942-A961 HydrophobicContact CD2-CB 4.29Å; A957-A961 PolarHBondContact O-N 3.29Å; A958-A961 WeakPolarHBondContact O-CB 3.33Å; A958-A961 PolarHBondContact O-N 2.72Å; A961-A963 PolarHBondContact O-N 3.41Å; A961-S964 WeakPolarHBondContact O-CB 3.21Å; A961-S964 PolarHBondContact O-N 3.39Å; A961-S964 VanDerWaalsContact O-N 3.16Å; A961-M965 VanDerWaalsContact O-CG 3.23Å; A961-M965 WeakPolarHBondContact O-CG 3.5Å; A961-M965 PolarHBondContact O-N 3.04Å |
| 962 | L | 96.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 179.2 | -66.1 | -178.9 | 0 | 0 | 0 | 112.5 | V939 L942 V943 A958 S959 S964 M965 S966 I975 I1003 | V939-L962 HydrophobicContact CG1-CD2 4.25Å; L942-L962 HydrophobicContact CB-CD1 4.49Å; L942-L962 HydrophobicContact CB-CD2 3.88Å; L942-L962 HydrophobicContact CB-CG 4.12Å; L942-L962 HydrophobicContact CD1-CD2 4.28Å; V943-L962 HydrophobicContact CG2-CD1 3.79Å; V943-L962 HydrophobicContact CG2-CD2 4.28Å; A958-L962 WeakPolarHBondContact O-CG 3.46Å; A958-L962 PolarHBondContact O-N 2.84Å; S959-L962 PolarHBondContact O-N 2.82Å; L962-S964 VanDerWaalsContact C-N 3.27Å; L962-S964 PolarHBondContact O-N 3.2Å; L962-M965 PolarHBondContact O-N 2.76Å; L962-S966 WeakPolarHBondContact O-CB 3.29Å; L962-S966 PolarHBondContact O-N 3.02Å; L962-S966 PolarHBondContact O-OG 3.46Å; L962-I975 HydrophobicContact CD2-CD1 4.05Å; L962-I975 HydrophobicContact CD2-CG1 4.13Å; L962-I1003 HydrophobicContact CB-CD1 3.87Å; L962-I1003 HydrophobicContact CB-CG1 4.41Å |
| 963 | A | 95.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 21.7 Ų | 21.7 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.1 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S959 A961 S966 R999 H1002 I1003 | S959-A963 VanDerWaalsContact O-CB 3.26Å; S959-A963 WeakPolarHBondContact O-CB 3.46Å; S959-A963 PolarHBondContact O-N 3.37Å; A961-A963 PolarHBondContact O-N 3.41Å; A963-S966 PolarHBondContact O-OG 3.02Å; A963-S966 VanDerWaalsContact O-OG 3.06Å; A963-R999 HydrophobicContact CB-CB 4.42Å; A963-H1002 HydrophobicContact CB-CB 4.49Å; A963-H1002 PolarHBondContact O-ND1 2.97Å; A963-I1003 HydrophobicContact CB-CD1 4.4Å; A963-I1003 HydrophobicContact CB-CG1 3.92Å |
| 964 | S | 94.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 21.4 Ų | 21.4 | 29% | 0.287 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -70 | -30 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | G960 A961 L962 Y967 | G960-S964 WeakPolarHBondContact O-CB 3.31Å; G960-S964 PolarHBondContact O-N 3.13Å; G960-S964 VanDerWaalsContact O-N 3.09Å; G960-S964 PolarHBondContact O-OG 2.7Å; A961-S964 WeakPolarHBondContact O-CB 3.21Å; A961-S964 PolarHBondContact O-N 3.39Å; A961-S964 VanDerWaalsContact O-N 3.16Å; L962-S964 VanDerWaalsContact C-N 3.27Å; L962-S964 PolarHBondContact O-N 3.2Å; S964-Y967 WeakPolarHBondContact O-CD1 3.5Å; S964-Y967 WeakPolarHBondContact O-CE1 3.49Å |
| 965 | M | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -97.2 | -20.2 | -175.7 | -59.3 | 169.6 | 55.6 | 0 | 0 | 114 | A905 F910 V911 V939 A961 L962 Y967 D968 I971 | A905-M965 HydrophobicContact CB-CG 3.7Å; A905-M965 HydrophobicContact CB-SD 3.89Å; F910-M965 HydrophobicContact CD1-SD 4.42Å; F910-M965 HydrophobicContact CE1-SD 4.1Å; V911-M965 HydrophobicContact CG2-CB 4.3Å; V911-M965 HydrophobicContact CG2-CG 4Å; V939-M965 HydrophobicContact CG2-CE 4.05Å; A961-M965 VanDerWaalsContact O-CG 3.23Å; A961-M965 WeakPolarHBondContact O-CG 3.5Å; A961-M965 PolarHBondContact O-N 3.04Å; L962-M965 PolarHBondContact O-N 2.76Å; M965-Y967 PolarHBondContact O-N 3.31Å; M965-D968 PolarHBondContact O-N 3.02Å; M965-I971 HydrophobicContact CB-CG1 4.36Å; M965-I971 HydrophobicContact CB-CG2 3.92Å; M965-I971 HydrophobicContact CE-CD1 3.68Å; M965-I971 HydrophobicContact CE-CG1 4.17Å; M965-I971 HydrophobicContact CE-CG2 4.28Å |
| 966 | S | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -7.4 | -169.3 | 51.4 | 0 | 0 | 0 | 0 | 115.4 | L962 A963 D968 I972 N1006 | L962-S966 WeakPolarHBondContact O-CB 3.29Å; L962-S966 PolarHBondContact O-N 3.02Å; L962-S966 PolarHBondContact O-OG 3.46Å; A963-S966 PolarHBondContact O-OG 3.02Å; A963-S966 VanDerWaalsContact O-OG 3.06Å; S966-D968 PolarHBondContact O-N 3.49Å; S966-I972 VanDerWaalsContact O-CD1 3.26Å; S966-I972 WeakPolarHBondContact O-CD1 3.42Å; S966-I972 WeakPolarHBondContact O-CG1 3.38Å; S966-N1006 WeakPolarHBondContact O-CB 3.32Å; S966-N1006 PolarHBondContact OG-ND2 3.24Å |
| 967 | Y | 93.7 | Very high | 93.6 | Very high | 63 Ų | 63 | 25.3 Ų | 25.3 | 25% | 0.247 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.5 | 172.1 | 69.1 | -93 | 0 | 0 | 0 | 112.9 | H908 V911 I918 S964 M965 H1010 | H908-Y967 AromaticContact CE1-CE2 3.93Å; H908-Y967 AromaticContact ND1-CE2 3.68Å; H908-Y967 AromaticContact ND1-CZ 3.59Å; H908-Y967 PolarHBondContact ND1-OH 2.96Å; V911-Y967 HydrophobicContact CG2-CE1 4.28Å; I918-Y967 HydrophobicContact CD1-CD2 4.01Å; I918-Y967 HydrophobicContact CD1-CE2 4.16Å; S964-Y967 WeakPolarHBondContact O-CD1 3.5Å; S964-Y967 WeakPolarHBondContact O-CE1 3.49Å; M965-Y967 PolarHBondContact O-N 3.31Å; Y967-H1010 VanDerWaalsContact O-CB 3.27Å; Y967-H1010 WeakPolarHBondContact O-CB 3.18Å; Y967-H1010 VanDerWaalsContact O-CG 3.25Å |
| 968 | D | 92.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -88.1 | 125.2 | 178.9 | -172.7 | -67.8 | 0 | 0 | 0 | 111.7 | V911 G916 T917 I918 M965 S966 G970 I971 I972 | V911-D968 HydrophobicContact CG1-CB 3.75Å; G916-D968 VanDerWaalsContact CA-CG 3.42Å; G916-D968 WeakPolarHBondContact CA-OD1 3.49Å; G916-D968 WeakPolarHBondContact CA-OD2 3.28Å; T917-D968 PolarHBondContact N-OD1 2.96Å; T917-D968 PolarHBondContact N-OD2 3.29Å; T917-D968 PolarHBondContact OG1-OD1 3.49Å; I918-D968 WeakPolarHBondContact CB-OD2 3.43Å; I918-D968 HydrophobicContact CD1-CB 4.2Å; I918-D968 WeakPolarHBondContact CG1-OD2 3.43Å; I918-D968 PolarHBondContact N-OD2 3.38Å; M965-D968 PolarHBondContact O-N 3.02Å; S966-D968 PolarHBondContact O-N 3.49Å; D968-G970 VanDerWaalsContact C-N 3.27Å; D968-G970 PolarHBondContact O-N 2.8Å; D968-G970 WeakPolarHBondContact OD1-CA 3.26Å; D968-G970 PolarHBondContact OD1-N 3.01Å; D968-I971 HydrophobicContact CB-CB 4.34Å; D968-I971 HydrophobicContact CB-CG1 3.98Å; D968-I971 PolarHBondContact O-N 3.39Å; D968-I971 VanDerWaalsContact O-N 3.07Å; D968-I971 PolarHBondContact OD1-N 2.85Å; D968-I972 WeakPolarHBondContact O-CG1 3.41Å; D968-I972 PolarHBondContact O-N 2.77Å |
| 969 | P | 91.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 31.3 Ų | 31.3 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.4 | -33.7 | -179.7 | -24.9 | 33.1 | 0 | 0 | 0 | 114.8 | I972 K973 | P969-I972 PolarHBondContact O-N 2.88Å; P969-K973 PolarHBondContact O-N 3.36Å |
| 970 | G | 90 | Very high | 93 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T917 D968 K974 | T917-G970 PolarHBondContact OG1-N 3.25Å; T917-G970 VanDerWaalsContact OG1-N 3.11Å; D968-G970 VanDerWaalsContact C-N 3.27Å; D968-G970 PolarHBondContact O-N 2.8Å; D968-G970 WeakPolarHBondContact OD1-CA 3.26Å; D968-G970 PolarHBondContact OD1-N 3.01Å; G970-K974 PolarHBondContact O-N 3.03Å; G970-K974 VanDerWaalsContact O-N 3.14Å |
| 971 | I | 92.7 | Very high | 93 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.7 | -43.6 | 173.8 | -60.3 | -57.2 | 0 | 0 | 0 | 110.8 | V911 V939 M965 D968 K973 K974 I975 | V911-I971 HydrophobicContact CG1-CD1 4.49Å; V911-I971 HydrophobicContact CG1-CG1 3.87Å; V939-I971 HydrophobicContact CG1-CG2 4.4Å; V939-I971 HydrophobicContact CG2-CD1 3.99Å; M965-I971 HydrophobicContact CB-CG1 4.36Å; M965-I971 HydrophobicContact CB-CG2 3.92Å; M965-I971 HydrophobicContact CE-CD1 3.68Å; M965-I971 HydrophobicContact CE-CG1 4.17Å; M965-I971 HydrophobicContact CE-CG2 4.28Å; D968-I971 HydrophobicContact CB-CB 4.34Å; D968-I971 HydrophobicContact CB-CG1 3.98Å; D968-I971 PolarHBondContact O-N 3.39Å; D968-I971 VanDerWaalsContact O-N 3.07Å; D968-I971 PolarHBondContact OD1-N 2.85Å; I971-K973 VanDerWaalsContact C-N 3.29Å; I971-K973 PolarHBondContact O-N 2.83Å; I971-K974 WeakPolarHBondContact O-CB 3.41Å; I971-K974 PolarHBondContact O-N 3.17Å; I971-K974 VanDerWaalsContact O-N 3.08Å; I971-I975 HydrophobicContact CG2-CD1 3.94Å; I971-I975 HydrophobicContact CG2-CG1 4.33Å; I971-I975 WeakPolarHBondContact O-CG1 3.28Å; I971-I975 PolarHBondContact O-N 2.82Å |
| 972 | I | 93.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.1 | -49.3 | 175.4 | -62.9 | 171.6 | 0 | 0 | 0 | 109.9 | S966 D968 P969 K974 I975 T976 F1007 H1010 L1015 | S966-I972 VanDerWaalsContact O-CD1 3.26Å; S966-I972 WeakPolarHBondContact O-CD1 3.42Å; S966-I972 WeakPolarHBondContact O-CG1 3.38Å; D968-I972 WeakPolarHBondContact O-CG1 3.41Å; D968-I972 PolarHBondContact O-N 2.77Å; P969-I972 PolarHBondContact O-N 2.88Å; I972-K974 VanDerWaalsContact C-N 3.3Å; I972-K974 PolarHBondContact O-N 3.4Å; I972-I975 PolarHBondContact O-N 2.9Å; I972-I975 VanDerWaalsContact O-N 3.1Å; I972-T976 HydrophobicContact CG2-CG2 4.4Å; I972-T976 PolarHBondContact O-N 3.42Å; I972-T976 PolarHBondContact O-OG1 3.32Å; I972-F1007 HydrophobicContact CB-CD1 4.4Å; I972-F1007 HydrophobicContact CB-CE1 4.37Å; I972-F1007 HydrophobicContact CD1-CD1 4.25Å; I972-F1007 HydrophobicContact CG1-CD1 3.82Å; I972-F1007 HydrophobicContact CG1-CE1 4Å; I972-F1007 HydrophobicContact CG2-CD1 3.92Å; I972-F1007 HydrophobicContact CG2-CE1 4.08Å; I972-F1007 HydrophobicContact CG2-CG 4.26Å; I972-H1010 HydrophobicContact CD1-CB 3.96Å; I972-L1015 HydrophobicContact CG2-CD2 3.83Å |
| 973 | K | 91.9 | Very high | 92.7 | Very high | 119 Ų | 119 | 40.8 Ų | 40.8 | 52% | 0.517 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.9 | -41.4 | 177.9 | -174 | 172 | -176.7 | 168.5 | 0 | 112.5 | P969 I971 T976 N977 | P969-K973 PolarHBondContact O-N 3.36Å; I971-K973 VanDerWaalsContact C-N 3.29Å; I971-K973 PolarHBondContact O-N 2.83Å; K973-T976 WeakPolarHBondContact CA-OG1 3.3Å; K973-T976 PolarHBondContact O-N 2.9Å; K973-T976 PolarHBondContact O-OG1 3.38Å; K973-N977 PolarHBondContact O-N 3.1Å; K973-N977 VanDerWaalsContact O-N 3.1Å; K973-N977 PolarHBondContact O-ND2 2.9Å; K973-N977 PolarHBondContact O-OD1 3.17Å |
| 974 | K | 91.2 | Very high | 92.7 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 21% | 0.213 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 176 | -77.5 | -170.5 | 171.8 | -163.1 | 0 | 112.8 | S914 V939 G970 I971 I972 N977 | S914-K974 WeakPolarHBondContact O-CD 3.43Å; S914-K974 PolarHBondContact O-NZ 3.45Å; V939-K974 HydrophobicContact CB-CB 4.11Å; V939-K974 HydrophobicContact CB-CD 4.35Å; V939-K974 HydrophobicContact CG1-CB 3.83Å; V939-K974 HydrophobicContact CG2-CB 4.46Å; V939-K974 HydrophobicContact CG2-CD 4.12Å; G970-K974 PolarHBondContact O-N 3.03Å; G970-K974 VanDerWaalsContact O-N 3.14Å; I971-K974 WeakPolarHBondContact O-CB 3.41Å; I971-K974 PolarHBondContact O-N 3.17Å; I971-K974 VanDerWaalsContact O-N 3.08Å; I972-K974 VanDerWaalsContact C-N 3.3Å; I972-K974 PolarHBondContact O-N 3.4Å; K974-N977 PolarHBondContact O-N 2.91Å |
| 975 | I | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -48 | 175.1 | -63.6 | 164.3 | 0 | 0 | 0 | 109.8 | V939 V943 L962 I971 I972 N977 V978 W981 I985 F1007 | V939-I975 HydrophobicContact CG1-CG1 3.54Å; V943-I975 HydrophobicContact CG2-CB 4.16Å; V943-I975 HydrophobicContact CG2-CG1 3.99Å; V943-I975 HydrophobicContact CG2-CG2 3.69Å; L962-I975 HydrophobicContact CD2-CD1 4.05Å; L962-I975 HydrophobicContact CD2-CG1 4.13Å; I971-I975 HydrophobicContact CG2-CD1 3.94Å; I971-I975 HydrophobicContact CG2-CG1 4.33Å; I971-I975 WeakPolarHBondContact O-CG1 3.28Å; I971-I975 PolarHBondContact O-N 2.82Å; I972-I975 PolarHBondContact O-N 2.9Å; I972-I975 VanDerWaalsContact O-N 3.1Å; I975-N977 PolarHBondContact O-N 3.11Å; I975-V978 WeakPolarHBondContact O-CB 3.29Å; I975-V978 WeakPolarHBondContact O-CG2 3.45Å; I975-V978 PolarHBondContact O-N 3.23Å; I975-V978 VanDerWaalsContact O-N 3.11Å; I975-W981 HydrophobicContact CG2-CB 4.23Å; I975-W981 VanDerWaalsContact O-CB 3.26Å; I975-W981 WeakPolarHBondContact O-CB 3.38Å; I975-I985 HydrophobicContact CG2-CD1 4.04Å; I975-F1007 HydrophobicContact CB-CZ 4.02Å; I975-F1007 HydrophobicContact CD1-CE1 3.84Å; I975-F1007 HydrophobicContact CD1-CZ 3.89Å; I975-F1007 HydrophobicContact CG2-CE2 4.35Å; I975-F1007 HydrophobicContact CG2-CZ 3.65Å |
| 976 | T | 92.1 | Very high | 92.7 | Very high | 39 Ų | 39 | 42 Ų | 42 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.6 | -15.4 | -178.5 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | I972 K973 V978 W981 L1015 | I972-T976 HydrophobicContact CG2-CG2 4.4Å; I972-T976 PolarHBondContact O-N 3.42Å; I972-T976 PolarHBondContact O-OG1 3.32Å; K973-T976 WeakPolarHBondContact CA-OG1 3.3Å; K973-T976 PolarHBondContact O-N 2.9Å; K973-T976 PolarHBondContact O-OG1 3.38Å; T976-V978 VanDerWaalsContact C-N 3.29Å; T976-W981 HydrophobicContact CG2-CD2 4.24Å; T976-W981 HydrophobicContact CG2-CE3 4.49Å; T976-W981 HydrophobicContact CG2-CH2 4.17Å; T976-W981 HydrophobicContact CG2-CZ2 3.93Å; T976-W981 HydrophobicContact CG2-CZ3 4.46Å; T976-W981 PolarHBondContact O-NE1 3.01Å; T976-L1015 HydrophobicContact CG2-CD1 4.03Å; T976-L1015 HydrophobicContact CG2-CD2 4.3Å |
| 977 | N | 91.7 | Very high | 92.7 | Very high | 117 Ų | 117 | 45.4 Ų | 45.4 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -13 | 174 | -73.6 | -16.1 | 0 | 0 | 0 | 113.2 | K973 K974 I975 | K973-N977 PolarHBondContact O-N 3.1Å; K973-N977 VanDerWaalsContact O-N 3.1Å; K973-N977 PolarHBondContact O-ND2 2.9Å; K973-N977 PolarHBondContact O-OD1 3.17Å; K974-N977 PolarHBondContact O-N 2.91Å; I975-N977 PolarHBondContact O-N 3.11Å |
| 978 | V | 92 | Very high | 92.7 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -82.7 | 118.4 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | K940 V943 L944 I975 T976 S980 W981 | K940-V978 HydrophobicContact CB-CG2 3.93Å; K940-V978 HydrophobicContact CG-CG1 4.37Å; K940-V978 HydrophobicContact CG-CG2 3.85Å; V943-V978 HydrophobicContact CB-CB 4.46Å; V943-V978 HydrophobicContact CB-CG1 4.38Å; V943-V978 HydrophobicContact CB-CG2 4.12Å; V943-V978 HydrophobicContact CG1-CB 4Å; V943-V978 HydrophobicContact CG1-CG1 3.87Å; V943-V978 HydrophobicContact CG1-CG2 4.19Å; V943-V978 HydrophobicContact CG2-CG2 4.28Å; L944-V978 HydrophobicContact CD2-CG1 4.12Å; I975-V978 WeakPolarHBondContact O-CB 3.29Å; I975-V978 WeakPolarHBondContact O-CG2 3.45Å; I975-V978 PolarHBondContact O-N 3.23Å; I975-V978 VanDerWaalsContact O-N 3.11Å; T976-V978 VanDerWaalsContact C-N 3.29Å; V978-S980 PolarHBondContact O-N 3.4Å; V978-W981 HydrophobicContact CB-CB 4.28Å; V978-W981 VanDerWaalsContact O-CB 3.31Å; V978-W981 WeakPolarHBondContact O-CB 3.43Å; V978-W981 PolarHBondContact O-N 2.86Å |
| 979 | S | 89.9 | Confident | 92.7 | Very high | 126 Ų | 126 | 42.5 Ų | 42.5 | 88% | 0.881 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -35.5 | -170.7 | 51.6 | 0 | 0 | 0 | 0 | 116 | ||
| 980 | S | 92 | Very high | 92.6 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 8.4 | -178.2 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | V978 F982 E983 I984 | V978-S980 PolarHBondContact O-N 3.4Å; S980-F982 VanDerWaalsContact C-N 3.26Å; S980-F982 PolarHBondContact O-N 3.32Å; S980-F982 VanDerWaalsContact O-N 3.17Å; S980-E983 PolarHBondContact O-N 3.39Å; S980-I984 VanDerWaalsContact O-CG1 3.27Å; S980-I984 WeakPolarHBondContact O-CG1 3.46Å; S980-I984 PolarHBondContact O-N 2.97Å; S980-I984 WeakPolarHBondContact OG-CD1 3.48Å |
| 981 | W | 94.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 43 Ų | 43 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.8 | -40.7 | -173.1 | 74.6 | -95.6 | 0 | 0 | 0 | 113.3 | V943 I975 T976 V978 I985 F1007 L1015 Y1018 F1019 | V943-W981 HydrophobicContact CG1-CB 4.18Å; I975-W981 HydrophobicContact CG2-CB 4.23Å; I975-W981 VanDerWaalsContact O-CB 3.26Å; I975-W981 WeakPolarHBondContact O-CB 3.38Å; T976-W981 HydrophobicContact CG2-CD2 4.24Å; T976-W981 HydrophobicContact CG2-CE3 4.49Å; T976-W981 HydrophobicContact CG2-CH2 4.17Å; T976-W981 HydrophobicContact CG2-CZ2 3.93Å; T976-W981 HydrophobicContact CG2-CZ3 4.46Å; T976-W981 PolarHBondContact O-NE1 3.01Å; V978-W981 HydrophobicContact CB-CB 4.28Å; V978-W981 VanDerWaalsContact O-CB 3.31Å; V978-W981 WeakPolarHBondContact O-CB 3.43Å; V978-W981 PolarHBondContact O-N 2.86Å; W981-I985 HydrophobicContact CE3-CD1 4.08Å; W981-I985 WeakPolarHBondContact O-CB 3.39Å; W981-I985 WeakPolarHBondContact O-CG1 3.25Å; W981-I985 PolarHBondContact O-N 3.2Å; W981-F1007 HydrophobicContact CE3-CE2 4.06Å; W981-F1007 HydrophobicContact CZ3-CD2 4.2Å; W981-F1007 AromaticContact CZ3-CE2 3.78Å; W981-F1007 HydrophobicContact CZ3-CE2 3.78Å; W981-L1015 HydrophobicContact CH2-CD1 3.68Å; W981-L1015 HydrophobicContact CZ2-CD1 4.03Å; W981-Y1018 HydrophobicContact CH2-CE1 4.43Å; W981-Y1018 HydrophobicContact CZ2-CE1 4.23Å; W981-F1019 AromaticContact CH2-CE1 3.56Å; W981-F1019 HydrophobicContact CH2-CE1 3.56Å; W981-F1019 HydrophobicContact CH2-CZ 4.06Å; W981-F1019 AromaticContact CZ3-CE1 3.83Å; W981-F1019 HydrophobicContact CZ3-CE1 3.83Å; W981-F1019 AromaticContact CZ3-CZ 3.97Å; W981-F1019 HydrophobicContact CZ3-CZ 3.97Å |
| 982 | F | 93.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.2 | -49 | -174.8 | -176.5 | -90.7 | 0 | 0 | 0 | 110.8 | S980 I984 I985 Q986 Y1018 F1019 S1022 M1024 | S980-F982 VanDerWaalsContact C-N 3.26Å; S980-F982 PolarHBondContact O-N 3.32Å; S980-F982 VanDerWaalsContact O-N 3.17Å; F982-I984 VanDerWaalsContact C-N 3.33Å; F982-I984 PolarHBondContact O-N 2.94Å; F982-I985 PolarHBondContact O-N 3.42Å; F982-Q986 WeakPolarHBondContact O-CB 3.35Å; F982-Q986 PolarHBondContact O-N 3.36Å; F982-Y1018 HydrophobicContact CD2-CD1 4.46Å; F982-Y1018 AromaticContact CD2-CE1 3.62Å; F982-Y1018 HydrophobicContact CD2-CE1 3.62Å; F982-Y1018 HydrophobicContact CE2-CD1 4.35Å; F982-Y1018 AromaticContact CE2-CE1 3.7Å; F982-Y1018 HydrophobicContact CE2-CE1 3.7Å; F982-Y1018 HydrophobicContact CG-CE1 4.42Å; F982-F1019 HydrophobicContact CD2-CE1 4.24Å; F982-F1019 HydrophobicContact CE2-CD1 4.22Å; F982-F1019 HydrophobicContact CE2-CE1 4.08Å; F982-S1022 WeakPolarHBondContact CZ-OG 3.47Å; F982-M1024 HydrophobicContact CD2-CE 4.13Å; F982-M1024 HydrophobicContact CE2-CB 3.86Å; F982-M1024 HydrophobicContact CE2-CE 3.81Å; F982-M1024 HydrophobicContact CE2-CG 4.49Å; F982-M1024 HydrophobicContact CZ-CB 3.88Å; F982-M1024 HydrophobicContact CZ-CE 4.02Å |
| 983 | E | 93.3 | Very high | 92.2 | Very high | 130 Ų | 130 | 47 Ų | 47 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 178 | -64.7 | 171.9 | 174.1 | 0 | 0 | 111.2 | S980 Q986 T987 | S980-E983 PolarHBondContact O-N 3.39Å; E983-Q986 PolarHBondContact O-N 3.04Å; E983-T987 VanDerWaalsContact O-CB 3.29Å; E983-T987 WeakPolarHBondContact O-CB 3.4Å; E983-T987 PolarHBondContact O-N 3.17Å; E983-T987 PolarHBondContact O-OG1 3.35Å |
| 984 | I | 95.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -50.4 | 179.5 | -68 | 170.1 | 0 | 0 | 0 | 110.9 | V943 C946 S980 F982 Q986 T987 L988 | V943-I984 HydrophobicContact CG1-CD1 4.18Å; V943-I984 WeakPolarHBondContact O-CD1 3.44Å; C946-I984 HydrophobicContact CB-CG2 3.43Å; C946-I984 VanDerWaalsContact CB-CG2 3.43Å; S980-I984 VanDerWaalsContact O-CG1 3.27Å; S980-I984 WeakPolarHBondContact O-CG1 3.46Å; S980-I984 PolarHBondContact O-N 2.97Å; S980-I984 WeakPolarHBondContact OG-CD1 3.48Å; F982-I984 VanDerWaalsContact C-N 3.33Å; F982-I984 PolarHBondContact O-N 2.94Å; I984-Q986 VanDerWaalsContact C-N 3.32Å; I984-Q986 PolarHBondContact O-N 3.46Å; I984-T987 PolarHBondContact O-N 3.49Å; I984-L988 WeakPolarHBondContact O-CG 3.3Å; I984-L988 PolarHBondContact O-N 3.39Å |
| 985 | I | 94.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -37.2 | 179.6 | -71.8 | 170.9 | 0 | 0 | 0 | 110.9 | I975 W981 F982 T987 L988 A989 I1003 L1004 F1007 M1024 | I975-I985 HydrophobicContact CG2-CD1 4.04Å; W981-I985 HydrophobicContact CE3-CD1 4.08Å; W981-I985 WeakPolarHBondContact O-CB 3.39Å; W981-I985 WeakPolarHBondContact O-CG1 3.25Å; W981-I985 PolarHBondContact O-N 3.2Å; F982-I985 PolarHBondContact O-N 3.42Å; I985-T987 VanDerWaalsContact C-N 3.34Å; I985-L988 PolarHBondContact O-N 2.8Å; I985-A989 WeakPolarHBondContact O-CB 3.43Å; I985-A989 PolarHBondContact O-N 3.36Å; I985-I1003 HydrophobicContact CD1-CG2 3.93Å; I985-L1004 HydrophobicContact CG2-CD1 4.5Å; I985-L1004 HydrophobicContact CG2-CD2 3.68Å; I985-L1004 HydrophobicContact CG2-CG 3.99Å; I985-F1007 HydrophobicContact CD1-CE2 3.77Å; I985-F1007 HydrophobicContact CD1-CZ 3.86Å; I985-M1024 HydrophobicContact CG2-CE 4.44Å |
| 986 | Q | 93.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.2 | -172.7 | 176.8 | 10.7 | 0 | 0 | 111.4 | F982 E983 I984 A989 G990 M1024 V1027 | F982-Q986 WeakPolarHBondContact O-CB 3.35Å; F982-Q986 PolarHBondContact O-N 3.36Å; E983-Q986 PolarHBondContact O-N 3.04Å; I984-Q986 VanDerWaalsContact C-N 3.32Å; I984-Q986 PolarHBondContact O-N 3.46Å; Q986-A989 PolarHBondContact O-N 3.48Å; Q986-G990 PolarHBondContact O-N 2.95Å; Q986-M1024 HydrophobicContact CB-CE 3.77Å; Q986-M1024 HydrophobicContact CG-CE 4.32Å; Q986-V1027 HydrophobicContact CG-CG2 4.24Å |
| 987 | T | 93.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L949 E983 I984 I985 G990 H991 | L949-T987 HydrophobicContact CD1-CG2 3.88Å; E983-T987 VanDerWaalsContact O-CB 3.29Å; E983-T987 WeakPolarHBondContact O-CB 3.4Å; E983-T987 PolarHBondContact O-N 3.17Å; E983-T987 PolarHBondContact O-OG1 3.35Å; I984-T987 PolarHBondContact O-N 3.49Å; I985-T987 VanDerWaalsContact C-N 3.34Å; T987-G990 CarbonylContact O-C 3.12Å; T987-G990 PolarHBondContact O-N 3.01Å; T987-H991 PolarHBondContact O-N 3.35Å |
| 988 | L | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 173.5 | -75.6 | -177.9 | 0 | 0 | 0 | 112.8 | C946 V955 I984 I985 G990 H991 L996 A1000 | C946-L988 HydrophobicContact CB-CD1 3.75Å; C946-L988 HydrophobicContact CB-CG 4.48Å; V955-L988 HydrophobicContact CG1-CD2 3.48Å; V955-L988 VanDerWaalsContact CG1-CD2 3.48Å; I984-L988 WeakPolarHBondContact O-CG 3.3Å; I984-L988 PolarHBondContact O-N 3.39Å; I985-L988 PolarHBondContact O-N 2.8Å; L988-G990 VanDerWaalsContact C-N 3.28Å; L988-G990 PolarHBondContact O-N 3.4Å; L988-H991 VanDerWaalsContact O-CB 3.29Å; L988-H991 WeakPolarHBondContact O-CB 3.19Å; L988-H991 PolarHBondContact O-N 2.9Å; L988-L996 HydrophobicContact CD2-CD1 4.48Å; L988-A1000 HydrophobicContact CB-CB 3.84Å |
| 989 | A | 93 | Very high | 92.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -32.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I985 Q986 Q997 A1000 L1004 V1027 L1031 | I985-A989 WeakPolarHBondContact O-CB 3.43Å; I985-A989 PolarHBondContact O-N 3.36Å; Q986-A989 PolarHBondContact O-N 3.48Å; A989-Q997 WeakPolarHBondContact O-CG 3.28Å; A989-A1000 HydrophobicContact CB-CB 3.99Å; A989-L1004 HydrophobicContact CB-CD1 4.27Å; A989-V1027 HydrophobicContact CB-CG1 3.58Å; A989-L1031 HydrophobicContact CB-CD1 4.15Å; A989-L1031 WeakPolarHBondContact O-CD2 3.38Å |
| 990 | G | 90.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 62% | 0.619 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -1.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q986 T987 L988 | Q986-G990 PolarHBondContact O-N 2.95Å; T987-G990 CarbonylContact O-C 3.12Å; T987-G990 PolarHBondContact O-N 3.01Å; L988-G990 VanDerWaalsContact C-N 3.28Å; L988-G990 PolarHBondContact O-N 3.4Å |
| 991 | H | 91.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | trans | -68.7 | 150.3 | -174 | -163.7 | -91.5 | 0 | 0 | 0 | 111.8 | T987 L988 S993 Q997 | T987-H991 PolarHBondContact O-N 3.35Å; L988-H991 VanDerWaalsContact O-CB 3.29Å; L988-H991 WeakPolarHBondContact O-CB 3.19Å; L988-H991 PolarHBondContact O-N 2.9Å; H991-S993 VanDerWaalsContact C-N 3.29Å; H991-S993 PolarHBondContact ND1-N 3.14Å; H991-S993 PolarHBondContact O-N 3.04Å; H991-Q997 WeakPolarHBondContact O-CG 3.24Å; H991-Q997 PolarHBondContact O-NE2 3.32Å | ||
| 992 | F | 87.5 | Confident | 93.2 | Very high | 89 Ų | 89 | 31.3 Ų | 31.3 | 39% | 0.39 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -71.8 | -18.6 | -177.4 | 55.8 | -94.9 | 0 | 0 | 0 | 114.6 | L1044 D1046 I1047 | F992-L1044 HydrophobicContact CB-CD1 4.32Å; F992-L1044 HydrophobicContact CD2-CD1 3.79Å; F992-L1044 HydrophobicContact CG-CD1 4.28Å; F992-D1046 HydrophobicContact CE2-CB 3.93Å; F992-D1046 HydrophobicContact CZ-CB 3.88Å; F992-I1047 HydrophobicContact CD2-CG2 3.9Å; F992-I1047 HydrophobicContact CE2-CG2 3.75Å |
| 993 | S | 89.5 | Confident | 93.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -79.7 | 122.2 | 178.4 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | H991 A995 L996 Q997 L1050 | H991-S993 VanDerWaalsContact C-N 3.29Å; H991-S993 PolarHBondContact ND1-N 3.14Å; H991-S993 PolarHBondContact O-N 3.04Å; S993-A995 VanDerWaalsContact C-N 3.26Å; S993-A995 PolarHBondContact O-N 3.27Å; S993-L996 PolarHBondContact O-N 3.16Å; S993-Q997 WeakPolarHBondContact O-CG 3.35Å; S993-Q997 PolarHBondContact O-N 3.24Å; S993-L1050 WeakPolarHBondContact OG-CD1 3.27Å | ||
| 994 | C | 91.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.5 | -35.7 | 179.4 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | L996 Q997 H998 E1063 D1066 R1067 | C994-L996 VanDerWaalsContact C-N 3.34Å; C994-L996 PolarHBondContact O-N 3.47Å; C994-Q997 PolarHBondContact O-N 3.38Å; C994-H998 VanDerWaalsContact O-CB 3.28Å; C994-H998 WeakPolarHBondContact O-CB 3.43Å; C994-H998 PolarHBondContact O-N 2.95Å; C994-E1063 HydrophobicContact CB-CB 4.22Å; C994-E1063 WeakPolarHBondContact CB-O 3.18Å; C994-E1063 WeakPolarHBondContact CB-OE2 3.41Å; C994-E1063 PolarHBondContact N-OE2 3.02Å; C994-E1063 PolarHBondContact SG-OE2 3.4Å; C994-D1066 HydrophobicContact CB-CB 4.04Å; C994-R1067 VanDerWaalsContact SG-CZ 3.56Å; C994-R1067 PolarHBondContact SG-NE 3.39Å; C994-R1067 VanDerWaalsContact SG-NE 3.37Å; C994-R1067 PolarHBondContact SG-NH2 2.9Å |
| 995 | A | 90.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S993 R999 Y1051 E1063 D1066 | S993-A995 VanDerWaalsContact C-N 3.26Å; S993-A995 PolarHBondContact O-N 3.27Å; A995-R999 VanDerWaalsContact C-NH1 3.29Å; A995-R999 WeakPolarHBondContact O-CG 3.39Å; A995-R999 PolarHBondContact O-N 2.62Å; A995-R999 PolarHBondContact O-NH1 3.21Å; A995-Y1051 WeakPolarHBondContact CB-OH 3.41Å; A995-E1063 PolarHBondContact N-OE1 2.84Å; A995-D1066 WeakPolarHBondContact CA-OD2 3.4Å |
| 996 | L | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -75.6 | -41.1 | 177.4 | -65 | -175.3 | 0 | 0 | 0 | 111.4 | L952 V955 R956 L988 S993 C994 H998 R999 A1000 | L952-L996 HydrophobicContact CD2-CD1 4.34Å; V955-L996 HydrophobicContact CG1-CD1 3.91Å; V955-L996 HydrophobicContact CG1-CD2 4.05Å; R956-L996 HydrophobicContact CB-CD2 4Å; L988-L996 HydrophobicContact CD2-CD1 4.48Å; S993-L996 PolarHBondContact O-N 3.16Å; C994-L996 VanDerWaalsContact C-N 3.34Å; C994-L996 PolarHBondContact O-N 3.47Å; L996-H998 VanDerWaalsContact C-N 3.31Å; L996-H998 PolarHBondContact O-N 3.02Å; L996-R999 PolarHBondContact O-N 3.32Å; L996-A1000 WeakPolarHBondContact O-CB 3.34Å; L996-A1000 PolarHBondContact O-N 3.21Å |
| 997 | Q | 94.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 21.5 Ų | 21.5 | 8% | 0.075 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 173.8 | -72.2 | -168.5 | -18.2 | 0 | 0 | 112 | A989 H991 S993 C994 A1000 A1001 T1070 | A989-Q997 WeakPolarHBondContact O-CG 3.28Å; H991-Q997 WeakPolarHBondContact O-CG 3.24Å; H991-Q997 PolarHBondContact O-NE2 3.32Å; S993-Q997 WeakPolarHBondContact O-CG 3.35Å; S993-Q997 PolarHBondContact O-N 3.24Å; C994-Q997 PolarHBondContact O-N 3.38Å; Q997-A1000 PolarHBondContact O-N 3.48Å; Q997-A1001 WeakPolarHBondContact O-CB 3.47Å; Q997-A1001 PolarHBondContact O-N 3.43Å; Q997-T1070 HydrophobicContact CB-CG2 4.28Å |
| 998 | H | 95.6 | Very high | 93.3 | Very high | 46 Ų | 46 | 18.6 Ų | 18.6 | 21% | 0.213 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 179.8 | -178.5 | -161.7 | 0 | 0 | 0 | 111.8 | C994 L996 A1000 A1001 H1002 D1066 T1070 | C994-H998 VanDerWaalsContact O-CB 3.28Å; C994-H998 WeakPolarHBondContact O-CB 3.43Å; C994-H998 PolarHBondContact O-N 2.95Å; L996-H998 VanDerWaalsContact C-N 3.31Å; L996-H998 PolarHBondContact O-N 3.02Å; H998-A1000 VanDerWaalsContact C-N 3.34Å; H998-A1000 PolarHBondContact O-N 3.11Å; H998-A1001 PolarHBondContact O-N 2.94Å; H998-H1002 PolarHBondContact O-N 3.39Å; H998-D1066 HydrophobicContact CB-CB 4.05Å; H998-D1066 IonicContact CE1-OD1 3.48Å; H998-D1066 IonicContact CG-OD1 3.65Å; H998-D1066 IonicContact ND1-OD1 3.78Å; H998-D1066 PolarHBondContact ND1-OD1 2.87Å; H998-T1070 WeakPolarHBondContact CA-OG1 3.28Å; H998-T1070 VanDerWaalsContact CB-OG1 3.29Å; H998-T1070 WeakPolarHBondContact CB-OG1 3.49Å; H998-T1070 PolarHBondContact N-OG1 3.31Å |
| 999 | R | 95 | Very high | 93.2 | Very high | 53 Ų | 53 | 21.4 Ų | 21.4 | 20% | 0.2 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.9 | -70.4 | 173.8 | 179.1 | 79.3 | 2.9 | 111.5 | S959 A963 A995 L996 H1002 I1003 | S959-R999 VanDerWaalsContact OG-CD 3.27Å; S959-R999 WeakPolarHBondContact OG-CD 3.44Å; A963-R999 HydrophobicContact CB-CB 4.42Å; A995-R999 VanDerWaalsContact C-NH1 3.29Å; A995-R999 WeakPolarHBondContact O-CG 3.39Å; A995-R999 PolarHBondContact O-N 2.62Å; A995-R999 PolarHBondContact O-NH1 3.21Å; L996-R999 PolarHBondContact O-N 3.32Å; R999-H1002 PolarHBondContact O-N 2.78Å; R999-I1003 VanDerWaalsContact O-CG1 3.3Å; R999-I1003 WeakPolarHBondContact O-CG1 3.45Å; R999-I1003 PolarHBondContact O-N 3.29Å |
| 1000 | A | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L988 A989 L996 Q997 H998 H1002 I1003 L1004 | L988-A1000 HydrophobicContact CB-CB 3.84Å; A989-A1000 HydrophobicContact CB-CB 3.99Å; L996-A1000 WeakPolarHBondContact O-CB 3.34Å; L996-A1000 PolarHBondContact O-N 3.21Å; Q997-A1000 PolarHBondContact O-N 3.48Å; H998-A1000 VanDerWaalsContact C-N 3.34Å; H998-A1000 PolarHBondContact O-N 3.11Å; A1000-H1002 VanDerWaalsContact C-N 3.31Å; A1000-H1002 PolarHBondContact O-N 3.1Å; A1000-I1003 PolarHBondContact O-N 3.43Å; A1000-L1004 VanDerWaalsContact O-CG 3.32Å; A1000-L1004 WeakPolarHBondContact O-CG 3.38Å; A1000-L1004 PolarHBondContact O-N 3.01Å |
| 1001 | A | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q997 H998 L1004 Q1005 L1031 T1070 C1073 | Q997-A1001 WeakPolarHBondContact O-CB 3.47Å; Q997-A1001 PolarHBondContact O-N 3.43Å; H998-A1001 PolarHBondContact O-N 2.94Å; A1001-L1004 PolarHBondContact O-N 3.14Å; A1001-Q1005 VanDerWaalsContact O-CB 3.32Å; A1001-Q1005 WeakPolarHBondContact O-CB 3.46Å; A1001-Q1005 PolarHBondContact O-N 2.84Å; A1001-L1031 HydrophobicContact CB-CD1 4.16Å; A1001-T1070 HydrophobicContact CB-CG2 3.89Å; A1001-C1073 HydrophobicContact CB-CB 3.9Å |
| 1002 | H | 95.9 | Very high | 92.8 | Very high | 66 Ų | 66 | 28.8 Ų | 28.8 | 31% | 0.306 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 175.3 | -166.3 | -83.8 | 0 | 0 | 0 | 112.2 | A963 H998 R999 A1000 Q1005 N1006 | A963-H1002 HydrophobicContact CB-CB 4.49Å; A963-H1002 PolarHBondContact O-ND1 2.97Å; H998-H1002 PolarHBondContact O-N 3.39Å; R999-H1002 PolarHBondContact O-N 2.78Å; A1000-H1002 VanDerWaalsContact C-N 3.31Å; A1000-H1002 PolarHBondContact O-N 3.1Å; H1002-Q1005 PolarHBondContact O-N 3.18Å; H1002-N1006 PolarHBondContact CE1-ND2 3.41Å; H1002-N1006 PolarHBondContact ND1-ND2 2.95Å; H1002-N1006 PolarHBondContact O-N 2.84Å |
| 1003 | I | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -48.5 | 173.3 | -67.2 | 164.3 | 0 | 0 | 0 | 110.3 | L962 A963 I985 R999 A1000 Q1005 N1006 F1007 | L962-I1003 HydrophobicContact CB-CD1 3.87Å; L962-I1003 HydrophobicContact CB-CG1 4.41Å; A963-I1003 HydrophobicContact CB-CD1 4.4Å; A963-I1003 HydrophobicContact CB-CG1 3.92Å; I985-I1003 HydrophobicContact CD1-CG2 3.93Å; R999-I1003 VanDerWaalsContact O-CG1 3.3Å; R999-I1003 WeakPolarHBondContact O-CG1 3.45Å; R999-I1003 PolarHBondContact O-N 3.29Å; A1000-I1003 PolarHBondContact O-N 3.43Å; I1003-Q1005 PolarHBondContact O-N 3.49Å; I1003-N1006 PolarHBondContact O-N 3.12Å; I1003-F1007 HydrophobicContact CG2-CD1 4.02Å; I1003-F1007 HydrophobicContact CG2-CE1 3.55Å; I1003-F1007 HydrophobicContact CG2-CE2 4.21Å; I1003-F1007 HydrophobicContact CG2-CZ 3.65Å; I1003-F1007 WeakPolarHBondContact O-CD1 3.27Å; I1003-F1007 WeakPolarHBondContact O-CG 3.04Å; I1003-F1007 PolarHBondContact O-N 2.85Å |
| 1004 | L | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 179.4 | -69.4 | 172.3 | 0 | 0 | 0 | 112.3 | I985 A989 A1000 A1001 N1006 F1007 I1008 F1019 M1024 L1028 L1031 | I985-L1004 HydrophobicContact CG2-CD1 4.5Å; I985-L1004 HydrophobicContact CG2-CD2 3.68Å; I985-L1004 HydrophobicContact CG2-CG 3.99Å; A989-L1004 HydrophobicContact CB-CD1 4.27Å; A1000-L1004 VanDerWaalsContact O-CG 3.32Å; A1000-L1004 WeakPolarHBondContact O-CG 3.38Å; A1000-L1004 PolarHBondContact O-N 3.01Å; A1001-L1004 PolarHBondContact O-N 3.14Å; L1004-N1006 VanDerWaalsContact C-N 3.34Å; L1004-N1006 PolarHBondContact O-N 3.47Å; L1004-F1007 PolarHBondContact O-N 3.44Å; L1004-I1008 PolarHBondContact O-N 3.4Å; L1004-I1008 VanDerWaalsContact O-N 3.15Å; L1004-F1019 HydrophobicContact CD2-CE2 3.66Å; L1004-F1019 HydrophobicContact CD2-CZ 3.63Å; L1004-M1024 HydrophobicContact CD1-SD 3.73Å; L1004-M1024 HydrophobicContact CD2-CE 4.17Å; L1004-M1024 HydrophobicContact CD2-CG 4.01Å; L1004-M1024 HydrophobicContact CD2-SD 3.65Å; L1004-M1024 HydrophobicContact CG-SD 4.36Å; L1004-L1028 HydrophobicContact CB-CD2 3.97Å; L1004-L1028 HydrophobicContact CD1-CD2 3.85Å; L1004-L1028 HydrophobicContact CD1-CG 4.34Å; L1004-L1031 HydrophobicContact CD1-CD1 4.44Å |
| 1005 | Q | 94.8 | Very high | 92.4 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 173.1 | -177.4 | -162.7 | -43.8 | 0 | 0 | 110.4 | A1001 H1002 I1003 F1007 I1008 L1009 C1073 K1076 A1077 | A1001-Q1005 VanDerWaalsContact O-CB 3.32Å; A1001-Q1005 WeakPolarHBondContact O-CB 3.46Å; A1001-Q1005 PolarHBondContact O-N 2.84Å; H1002-Q1005 PolarHBondContact O-N 3.18Å; I1003-Q1005 PolarHBondContact O-N 3.49Å; Q1005-F1007 VanDerWaalsContact C-N 3.33Å; Q1005-F1007 PolarHBondContact O-N 3.38Å; Q1005-I1008 PolarHBondContact O-N 2.91Å; Q1005-I1008 VanDerWaalsContact O-N 3.17Å; Q1005-L1009 HydrophobicContact CG-CD1 3.67Å; Q1005-L1009 HydrophobicContact CG-CG 4.22Å; Q1005-L1009 WeakPolarHBondContact O-CB 3.31Å; Q1005-L1009 WeakPolarHBondContact O-CG 3.39Å; Q1005-L1009 PolarHBondContact O-N 3.32Å; Q1005-C1073 HydrophobicContact CB-CB 4.34Å; Q1005-C1073 VanDerWaalsContact OE1-CB 3.25Å; Q1005-C1073 PolarHBondContact OE1-SG 3.35Å; Q1005-C1073 VanDerWaalsContact OE1-SG 3.34Å; Q1005-K1076 HydrophobicContact CG-CB 4.24Å; Q1005-A1077 HydrophobicContact CB-CB 4.39Å |
| 1006 | N | 94.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 179.7 | -75.2 | -16.3 | 0 | 0 | 0 | 112.6 | S966 H1002 I1003 L1004 I1008 L1009 H1010 | S966-N1006 WeakPolarHBondContact O-CB 3.32Å; S966-N1006 PolarHBondContact OG-ND2 3.24Å; H1002-N1006 PolarHBondContact CE1-ND2 3.41Å; H1002-N1006 PolarHBondContact ND1-ND2 2.95Å; H1002-N1006 PolarHBondContact O-N 2.84Å; I1003-N1006 PolarHBondContact O-N 3.12Å; L1004-N1006 VanDerWaalsContact C-N 3.34Å; L1004-N1006 PolarHBondContact O-N 3.47Å; N1006-I1008 PolarHBondContact O-N 3.15Å; N1006-L1009 PolarHBondContact O-N 3.37Å; N1006-H1010 WeakPolarHBondContact O-CB 3.28Å; N1006-H1010 PolarHBondContact O-N 3.29Å |
| 1007 | F | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -36.8 | 174.5 | -79.3 | 18.6 | 0 | 0 | 0 | 112 | I972 I975 W981 I985 I1003 L1004 Q1005 G1011 L1015 F1019 | I972-F1007 HydrophobicContact CB-CD1 4.4Å; I972-F1007 HydrophobicContact CB-CE1 4.37Å; I972-F1007 HydrophobicContact CD1-CD1 4.25Å; I972-F1007 HydrophobicContact CG1-CD1 3.82Å; I972-F1007 HydrophobicContact CG1-CE1 4Å; I972-F1007 HydrophobicContact CG2-CD1 3.92Å; I972-F1007 HydrophobicContact CG2-CE1 4.08Å; I972-F1007 HydrophobicContact CG2-CG 4.26Å; I975-F1007 HydrophobicContact CB-CZ 4.02Å; I975-F1007 HydrophobicContact CD1-CE1 3.84Å; I975-F1007 HydrophobicContact CD1-CZ 3.89Å; I975-F1007 HydrophobicContact CG2-CE2 4.35Å; I975-F1007 HydrophobicContact CG2-CZ 3.65Å; W981-F1007 HydrophobicContact CE3-CE2 4.06Å; W981-F1007 HydrophobicContact CZ3-CD2 4.2Å; W981-F1007 AromaticContact CZ3-CE2 3.78Å; W981-F1007 HydrophobicContact CZ3-CE2 3.78Å; I985-F1007 HydrophobicContact CD1-CE2 3.77Å; I985-F1007 HydrophobicContact CD1-CZ 3.86Å; I1003-F1007 HydrophobicContact CG2-CD1 4.02Å; I1003-F1007 HydrophobicContact CG2-CE1 3.55Å; I1003-F1007 HydrophobicContact CG2-CE2 4.21Å; I1003-F1007 HydrophobicContact CG2-CZ 3.65Å; I1003-F1007 WeakPolarHBondContact O-CD1 3.27Å; I1003-F1007 WeakPolarHBondContact O-CG 3.04Å; I1003-F1007 PolarHBondContact O-N 2.85Å; L1004-F1007 PolarHBondContact O-N 3.44Å; Q1005-F1007 VanDerWaalsContact C-N 3.33Å; Q1005-F1007 PolarHBondContact O-N 3.38Å; F1007-G1011 WeakPolarHBondContact O-CA 3.46Å; F1007-G1011 PolarHBondContact O-N 3.04Å; F1007-G1011 VanDerWaalsContact O-N 3.08Å; F1007-L1015 HydrophobicContact CB-CD2 3.8Å; F1007-L1015 HydrophobicContact CD2-CD2 3.87Å; F1007-L1015 HydrophobicContact CG-CD2 3.97Å; F1007-F1019 HydrophobicContact CB-CE2 4.01Å; F1007-F1019 HydrophobicContact CB-CZ 4.45Å; F1007-F1019 HydrophobicContact CD2-CE2 4.18Å; F1007-F1019 AromaticContact CD2-CZ 3.78Å; F1007-F1019 HydrophobicContact CD2-CZ 3.78Å |
| 1008 | I | 91.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -81 | -37.4 | 178.8 | -70.2 | 163.1 | 0 | 0 | 0 | 111.8 | L1004 Q1005 N1006 F1019 L1028 A1077 R1080 L1081 | L1004-I1008 PolarHBondContact O-N 3.4Å; L1004-I1008 VanDerWaalsContact O-N 3.15Å; Q1005-I1008 PolarHBondContact O-N 2.91Å; Q1005-I1008 VanDerWaalsContact O-N 3.17Å; N1006-I1008 PolarHBondContact O-N 3.15Å; I1008-F1019 HydrophobicContact CD1-CD2 4.04Å; I1008-F1019 HydrophobicContact CG1-CD2 3.96Å; I1008-F1019 HydrophobicContact CG1-CE2 4.37Å; I1008-L1028 HydrophobicContact CD1-CD1 3.68Å; I1008-A1077 HydrophobicContact CD1-CB 3.74Å; I1008-R1080 HydrophobicContact CG2-CB 3.76Å; I1008-R1080 HydrophobicContact CG2-CG 3.7Å; I1008-L1081 HydrophobicContact CD1-CD1 3.78Å; I1008-L1081 HydrophobicContact CD1-CD2 4.28Å; I1008-L1081 HydrophobicContact CD1-CG 3.98Å; I1008-L1081 HydrophobicContact CG1-CD2 4.18Å; I1008-L1081 HydrophobicContact CG1-CG 4.35Å; I1008-L1081 HydrophobicContact CG2-CD2 3.96Å; I1008-L1081 HydrophobicContact CG2-CG 3.92Å |
| 1009 | L | 91.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 31% | 0.314 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -75.3 | -41.8 | -178 | -70.9 | 177 | 0 | 0 | 0 | 113 | Q1005 N1006 R1080 | Q1005-L1009 HydrophobicContact CG-CD1 3.67Å; Q1005-L1009 HydrophobicContact CG-CG 4.22Å; Q1005-L1009 WeakPolarHBondContact O-CB 3.31Å; Q1005-L1009 WeakPolarHBondContact O-CG 3.39Å; Q1005-L1009 PolarHBondContact O-N 3.32Å; N1006-L1009 PolarHBondContact O-N 3.37Å; L1009-R1080 HydrophobicContact CD2-CB 4.05Å; L1009-R1080 HydrophobicContact CD2-CG 3.89Å |
| 1010 | H | 91.4 | Very high | 90.8 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 39% | 0.394 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -117.4 | -13.5 | -169.5 | -58.5 | -67.6 | 0 | 0 | 0 | 113.7 | Y967 I972 N1006 | Y967-H1010 VanDerWaalsContact O-CB 3.27Å; Y967-H1010 WeakPolarHBondContact O-CB 3.18Å; Y967-H1010 VanDerWaalsContact O-CG 3.25Å; I972-H1010 HydrophobicContact CD1-CB 3.96Å; N1006-H1010 WeakPolarHBondContact O-CB 3.28Å; N1006-H1010 PolarHBondContact O-N 3.29Å |
| 1011 | G | 87.7 | Confident | 90.4 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -76.9 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1007 | F1007-G1011 WeakPolarHBondContact O-CA 3.46Å; F1007-G1011 PolarHBondContact O-N 3.04Å; F1007-G1011 VanDerWaalsContact O-N 3.08Å |
| 1012 | E | 87.1 | Confident | 90.1 | Very high | 128 Ų | 128 | 50.1 Ų | 50.1 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | trans | -67.2 | 146 | 175.3 | -64.6 | -178.3 | -177.6 | 0 | 0 | 111.2 | S1014 L1015 | E1012-S1014 WeakPolarHBondContact CB-OG 3.48Å; E1012-S1014 PolarHBondContact O-N 3.49Å; E1012-S1014 VanDerWaalsContact O-N 3.1Å; E1012-S1014 PolarHBondContact OE2-OG 3.33Å; E1012-L1015 VanDerWaalsContact O-CB 3.29Å; E1012-L1015 WeakPolarHBondContact O-CB 3.41Å; E1012-L1015 PolarHBondContact O-N 3.22Å | ||
| 1013 | R | 85.4 | Confident | 89.8 | Confident | 156 Ų | 156 | 51.8 Ų | 51.8 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -57.8 | -29.1 | 179.6 | -173.3 | 173.2 | -173.8 | 168.1 | 3.4 | 113.2 | L1015 G1016 E1017 H1084 F1086 | R1013-L1015 VanDerWaalsContact C-N 3.29Å; R1013-L1015 PolarHBondContact O-N 2.94Å; R1013-G1016 PolarHBondContact O-N 3.03Å; R1013-E1017 PolarHBondContact O-N 2.95Å; R1013-H1084 PolarHBondContact NH2-O 3.48Å; R1013-F1086 HydrophobicContact CG-CE2 3.78Å; R1013-F1086 HydrophobicContact CG-CZ 3.62Å |
| 1014 | S | 86.4 | Confident | 89.5 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -35 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 113 | E1012 E1017 Y1018 | E1012-S1014 WeakPolarHBondContact CB-OG 3.48Å; E1012-S1014 PolarHBondContact O-N 3.49Å; E1012-S1014 VanDerWaalsContact O-N 3.1Å; E1012-S1014 PolarHBondContact OE2-OG 3.33Å; S1014-E1017 PolarHBondContact O-N 3.31Å; S1014-Y1018 WeakPolarHBondContact O-CB 3.41Å; S1014-Y1018 PolarHBondContact O-N 3.39Å |
| 1015 | L | 87.5 | Confident | 89.3 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70 | -41.7 | 179.4 | -169.5 | 64.8 | 0 | 0 | 0 | 111.3 | I972 T976 W981 F1007 E1012 R1013 E1017 Y1018 F1019 | I972-L1015 HydrophobicContact CG2-CD2 3.83Å; T976-L1015 HydrophobicContact CG2-CD1 4.03Å; T976-L1015 HydrophobicContact CG2-CD2 4.3Å; W981-L1015 HydrophobicContact CH2-CD1 3.68Å; W981-L1015 HydrophobicContact CZ2-CD1 4.03Å; F1007-L1015 HydrophobicContact CB-CD2 3.8Å; F1007-L1015 HydrophobicContact CD2-CD2 3.87Å; F1007-L1015 HydrophobicContact CG-CD2 3.97Å; E1012-L1015 VanDerWaalsContact O-CB 3.29Å; E1012-L1015 WeakPolarHBondContact O-CB 3.41Å; E1012-L1015 PolarHBondContact O-N 3.22Å; R1013-L1015 VanDerWaalsContact C-N 3.29Å; R1013-L1015 PolarHBondContact O-N 2.94Å; L1015-E1017 VanDerWaalsContact C-N 3.32Å; L1015-E1017 PolarHBondContact O-N 2.94Å; L1015-Y1018 WeakPolarHBondContact O-CB 3.41Å; L1015-Y1018 PolarHBondContact O-N 3Å; L1015-F1019 HydrophobicContact CD1-CE1 4.36Å; L1015-F1019 WeakPolarHBondContact O-CG 3.5Å; L1015-F1019 PolarHBondContact O-N 3.44Å |
| 1016 | G | 86.3 | Confident | 89 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1013 F1019 C1020 | R1013-G1016 PolarHBondContact O-N 3.03Å; G1016-F1019 PolarHBondContact O-N 2.92Å; G1016-C1020 PolarHBondContact O-N 3.3Å; G1016-C1020 VanDerWaalsContact O-N 3.09Å; G1016-C1020 PolarHBondContact O-SG 3.39Å |
| 1017 | E | 86.8 | Confident | 88.9 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 174 | -169.8 | -178.1 | 166 | 0 | 0 | 112.1 | R1013 S1014 L1015 F1019 C1020 K1021 F1086 | R1013-E1017 PolarHBondContact O-N 2.95Å; S1014-E1017 PolarHBondContact O-N 3.31Å; L1015-E1017 VanDerWaalsContact C-N 3.32Å; L1015-E1017 PolarHBondContact O-N 2.94Å; E1017-F1019 VanDerWaalsContact C-N 3.33Å; E1017-F1019 PolarHBondContact O-N 3.48Å; E1017-C1020 PolarHBondContact O-N 3.37Å; E1017-K1021 HydrophobicContact CG-CD 4.29Å; E1017-K1021 WeakPolarHBondContact O-CG 3.32Å; E1017-K1021 PolarHBondContact O-N 3.39Å; E1017-K1021 VanDerWaalsContact O-N 3.1Å; E1017-K1021 WeakPolarHBondContact OE1-CE 3.4Å; E1017-K1021 IonicContact OE1-NZ 2.79Å; E1017-K1021 PolarHBondContact OE1-NZ 2.99Å; E1017-F1086 HydrophobicContact CB-CD1 4.25Å; E1017-F1086 HydrophobicContact CB-CE1 3.69Å; E1017-F1086 HydrophobicContact CB-CZ 3.9Å; E1017-F1086 HydrophobicContact CG-CD1 4.23Å; E1017-F1086 HydrophobicContact CG-CE1 3.82Å |
| 1018 | Y | 88.2 | Confident | 88.7 | Confident | 116 Ų | 116 | 60.1 Ų | 60.1 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 175.3 | -178.6 | -108.5 | 0 | 0 | 0 | 111.4 | W981 F982 S1014 L1015 K1021 S1022 | W981-Y1018 HydrophobicContact CH2-CE1 4.43Å; W981-Y1018 HydrophobicContact CZ2-CE1 4.23Å; F982-Y1018 HydrophobicContact CD2-CD1 4.46Å; F982-Y1018 AromaticContact CD2-CE1 3.62Å; F982-Y1018 HydrophobicContact CD2-CE1 3.62Å; F982-Y1018 HydrophobicContact CE2-CD1 4.35Å; F982-Y1018 AromaticContact CE2-CE1 3.7Å; F982-Y1018 HydrophobicContact CE2-CE1 3.7Å; F982-Y1018 HydrophobicContact CG-CE1 4.42Å; S1014-Y1018 WeakPolarHBondContact O-CB 3.41Å; S1014-Y1018 PolarHBondContact O-N 3.39Å; L1015-Y1018 WeakPolarHBondContact O-CB 3.41Å; L1015-Y1018 PolarHBondContact O-N 3Å; Y1018-K1021 PolarHBondContact O-N 3.28Å; Y1018-S1022 VanDerWaalsContact O-CB 3.28Å; Y1018-S1022 WeakPolarHBondContact O-CB 3.36Å; Y1018-S1022 PolarHBondContact O-N 2.99Å; Y1018-S1022 VanDerWaalsContact O-N 3.08Å; Y1018-S1022 PolarHBondContact O-OG 3.26Å |
| 1019 | F | 88.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 175.3 | -76.6 | -3.1 | 0 | 0 | 0 | 112.7 | W981 F982 L1004 F1007 I1008 L1015 G1016 E1017 K1021 S1022 M1024 F1025 | W981-F1019 AromaticContact CH2-CE1 3.56Å; W981-F1019 HydrophobicContact CH2-CE1 3.56Å; W981-F1019 HydrophobicContact CH2-CZ 4.06Å; W981-F1019 AromaticContact CZ3-CE1 3.83Å; W981-F1019 HydrophobicContact CZ3-CE1 3.83Å; W981-F1019 AromaticContact CZ3-CZ 3.97Å; W981-F1019 HydrophobicContact CZ3-CZ 3.97Å; F982-F1019 HydrophobicContact CD2-CE1 4.24Å; F982-F1019 HydrophobicContact CE2-CD1 4.22Å; F982-F1019 HydrophobicContact CE2-CE1 4.08Å; L1004-F1019 HydrophobicContact CD2-CE2 3.66Å; L1004-F1019 HydrophobicContact CD2-CZ 3.63Å; F1007-F1019 HydrophobicContact CB-CE2 4.01Å; F1007-F1019 HydrophobicContact CB-CZ 4.45Å; F1007-F1019 HydrophobicContact CD2-CE2 4.18Å; F1007-F1019 AromaticContact CD2-CZ 3.78Å; F1007-F1019 HydrophobicContact CD2-CZ 3.78Å; I1008-F1019 HydrophobicContact CD1-CD2 4.04Å; I1008-F1019 HydrophobicContact CG1-CD2 3.96Å; I1008-F1019 HydrophobicContact CG1-CE2 4.37Å; L1015-F1019 HydrophobicContact CD1-CE1 4.36Å; L1015-F1019 WeakPolarHBondContact O-CG 3.5Å; L1015-F1019 PolarHBondContact O-N 3.44Å; G1016-F1019 PolarHBondContact O-N 2.92Å; E1017-F1019 VanDerWaalsContact C-N 3.33Å; E1017-F1019 PolarHBondContact O-N 3.48Å; F1019-K1021 PolarHBondContact O-N 2.91Å; F1019-S1022 WeakPolarHBondContact CA-OG 3.43Å; F1019-S1022 PolarHBondContact O-N 3.33Å; F1019-S1022 VanDerWaalsContact O-N 3.16Å; F1019-S1022 VanDerWaalsContact O-O 3.11Å; F1019-S1022 PolarHBondContact O-OG 3Å; F1019-M1024 HydrophobicContact CB-CB 4.49Å; F1019-M1024 HydrophobicContact CD1-CB 4.08Å; F1019-M1024 HydrophobicContact CD1-CG 3.96Å; F1019-M1024 HydrophobicContact CD2-CG 4.29Å; F1019-M1024 HydrophobicContact CE1-CB 4.47Å; F1019-M1024 HydrophobicContact CE1-CG 4.03Å; F1019-M1024 HydrophobicContact CE2-CG 4.39Å; F1019-M1024 HydrophobicContact CG-CB 4.32Å; F1019-M1024 HydrophobicContact CG-CG 4.06Å; F1019-M1024 HydrophobicContact CZ-CG 4.24Å; F1019-F1025 WeakPolarHBondContact O-CB 3.45Å; F1019-F1025 PolarHBondContact O-N 3.24Å |
| 1020 | C | 85.9 | Confident | 88.7 | Confident | 35 Ų | 35 | 64 Ų | 64 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62 | -28.5 | 176 | -72 | 0 | 0 | 0 | 0 | 114 | G1016 E1017 F1086 | G1016-C1020 PolarHBondContact O-N 3.3Å; G1016-C1020 VanDerWaalsContact O-N 3.09Å; G1016-C1020 PolarHBondContact O-SG 3.39Å; E1017-C1020 PolarHBondContact O-N 3.37Å; C1020-F1086 HydrophobicContact CB-CB 4.37Å; C1020-F1086 VanDerWaalsContact SG-CB 3.6Å |
| 1021 | K | 86.8 | Confident | 88.8 | Confident | 161 Ų | 161 | 60.1 Ų | 60.1 | 70% | 0.7 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -88.9 | -7.8 | 178.1 | -72 | 174.6 | 173.4 | 173.1 | 0 | 113.9 | E1017 Y1018 F1019 | E1017-K1021 HydrophobicContact CG-CD 4.29Å; E1017-K1021 WeakPolarHBondContact O-CG 3.32Å; E1017-K1021 PolarHBondContact O-N 3.39Å; E1017-K1021 VanDerWaalsContact O-N 3.1Å; E1017-K1021 WeakPolarHBondContact OE1-CE 3.4Å; E1017-K1021 IonicContact OE1-NZ 2.79Å; E1017-K1021 PolarHBondContact OE1-NZ 2.99Å; Y1018-K1021 PolarHBondContact O-N 3.28Å; F1019-K1021 PolarHBondContact O-N 2.91Å |
| 1022 | S | 89.8 | Confident | 89.1 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -112.9 | 169.3 | -175.4 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | F982 Y1018 F1019 M1024 F1025 | F982-S1022 WeakPolarHBondContact CZ-OG 3.47Å; Y1018-S1022 VanDerWaalsContact O-CB 3.28Å; Y1018-S1022 WeakPolarHBondContact O-CB 3.36Å; Y1018-S1022 PolarHBondContact O-N 2.99Å; Y1018-S1022 VanDerWaalsContact O-N 3.08Å; Y1018-S1022 PolarHBondContact O-OG 3.26Å; F1019-S1022 WeakPolarHBondContact CA-OG 3.43Å; F1019-S1022 PolarHBondContact O-N 3.33Å; F1019-S1022 VanDerWaalsContact O-N 3.16Å; F1019-S1022 VanDerWaalsContact O-O 3.11Å; F1019-S1022 PolarHBondContact O-OG 3Å; S1022-M1024 PolarHBondContact O-N 3.33Å; S1022-M1024 WeakPolarHBondContact OG-CB 3.43Å; S1022-M1024 PolarHBondContact OG-N 3.42Å; S1022-F1025 PolarHBondContact O-N 2.69Å |
| 1023 | N | 89.2 | Confident | 89.3 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.4 | 174.9 | -59.2 | -1.3 | 0 | 0 | 0 | 113 | F1025 E1026 V1027 | N1023-F1025 PolarHBondContact O-N 2.86Å; N1023-E1026 PolarHBondContact O-N 3.05Å; N1023-V1027 WeakPolarHBondContact O-CG2 3.49Å; N1023-V1027 PolarHBondContact O-N 3.5Å; N1023-V1027 VanDerWaalsContact O-N 3.14Å |
| 1024 | M | 90.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -30 | 175.8 | -166.8 | 60.9 | 69.6 | 0 | 0 | 112.5 | F982 I985 Q986 L1004 F1019 S1022 V1027 L1028 | F982-M1024 HydrophobicContact CD2-CE 4.13Å; F982-M1024 HydrophobicContact CE2-CB 3.86Å; F982-M1024 HydrophobicContact CE2-CE 3.81Å; F982-M1024 HydrophobicContact CE2-CG 4.49Å; F982-M1024 HydrophobicContact CZ-CB 3.88Å; F982-M1024 HydrophobicContact CZ-CE 4.02Å; I985-M1024 HydrophobicContact CG2-CE 4.44Å; Q986-M1024 HydrophobicContact CB-CE 3.77Å; Q986-M1024 HydrophobicContact CG-CE 4.32Å; L1004-M1024 HydrophobicContact CD1-SD 3.73Å; L1004-M1024 HydrophobicContact CD2-CE 4.17Å; L1004-M1024 HydrophobicContact CD2-CG 4.01Å; L1004-M1024 HydrophobicContact CD2-SD 3.65Å; L1004-M1024 HydrophobicContact CG-SD 4.36Å; F1019-M1024 HydrophobicContact CB-CB 4.49Å; F1019-M1024 HydrophobicContact CD1-CB 4.08Å; F1019-M1024 HydrophobicContact CD1-CG 3.96Å; F1019-M1024 HydrophobicContact CD2-CG 4.29Å; F1019-M1024 HydrophobicContact CE1-CB 4.47Å; F1019-M1024 HydrophobicContact CE1-CG 4.03Å; F1019-M1024 HydrophobicContact CE2-CG 4.39Å; F1019-M1024 HydrophobicContact CG-CB 4.32Å; F1019-M1024 HydrophobicContact CG-CG 4.06Å; F1019-M1024 HydrophobicContact CZ-CG 4.24Å; S1022-M1024 PolarHBondContact O-N 3.33Å; S1022-M1024 WeakPolarHBondContact OG-CB 3.43Å; S1022-M1024 PolarHBondContact OG-N 3.42Å; M1024-V1027 PolarHBondContact O-N 3.26Å; M1024-V1027 HydrophobicContact SD-CB 4.25Å; M1024-V1027 HydrophobicContact SD-CG1 4.27Å; M1024-L1028 WeakPolarHBondContact O-CG 3.38Å; M1024-L1028 PolarHBondContact O-N 2.78Å |
| 1025 | F | 89.7 | Confident | 89.8 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.2 | -176.2 | -105.5 | 0 | 0 | 0 | 112 | F1019 S1022 N1023 V1027 L1028 L1029 L1078 L1081 V1087 | F1019-F1025 WeakPolarHBondContact O-CB 3.45Å; F1019-F1025 PolarHBondContact O-N 3.24Å; S1022-F1025 PolarHBondContact O-N 2.69Å; N1023-F1025 PolarHBondContact O-N 2.86Å; F1025-V1027 VanDerWaalsContact C-N 3.33Å; F1025-L1028 PolarHBondContact O-N 3.32Å; F1025-L1029 WeakPolarHBondContact O-CB 3.29Å; F1025-L1029 PolarHBondContact O-N 2.86Å; F1025-L1078 HydrophobicContact CD2-CD2 4.35Å; F1025-L1078 HydrophobicContact CE2-CD2 3.79Å; F1025-L1078 HydrophobicContact CZ-CD2 4.46Å; F1025-L1081 HydrophobicContact CD2-CD1 4.42Å; F1025-V1087 HydrophobicContact CD2-CG2 4.5Å; F1025-V1087 HydrophobicContact CE2-CG1 4.37Å; F1025-V1087 HydrophobicContact CE2-CG2 3.51Å; F1025-V1087 HydrophobicContact CZ-CG1 3.93Å; F1025-V1087 HydrophobicContact CZ-CG2 3.93Å |
| 1026 | E | 90.1 | Very high | 89.8 | Confident | 129 Ų | 129 | 58.6 Ų | 58.6 | 60% | 0.603 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 175.8 | -62.5 | -179.2 | 172.4 | 0 | 0 | 111.3 | N1023 L1029 S1030 | N1023-E1026 PolarHBondContact O-N 3.05Å; E1026-L1029 PolarHBondContact O-N 3.23Å; E1026-S1030 VanDerWaalsContact O-CB 3.32Å; E1026-S1030 WeakPolarHBondContact O-CB 3.34Å; E1026-S1030 PolarHBondContact O-N 2.98Å; E1026-S1030 PolarHBondContact O-OG 3.31Å |
| 1027 | V | 91.2 | Very high | 89.8 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 16% | 0.158 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -49.7 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | Q986 A989 N1023 M1024 F1025 L1029 S1030 L1031 | Q986-V1027 HydrophobicContact CG-CG2 4.24Å; A989-V1027 HydrophobicContact CB-CG1 3.58Å; N1023-V1027 WeakPolarHBondContact O-CG2 3.49Å; N1023-V1027 PolarHBondContact O-N 3.5Å; N1023-V1027 VanDerWaalsContact O-N 3.14Å; M1024-V1027 PolarHBondContact O-N 3.26Å; M1024-V1027 HydrophobicContact SD-CB 4.25Å; M1024-V1027 HydrophobicContact SD-CG1 4.27Å; F1025-V1027 VanDerWaalsContact C-N 3.33Å; V1027-L1029 PolarHBondContact O-N 3.17Å; V1027-S1030 WeakPolarHBondContact O-CB 3.18Å; V1027-S1030 PolarHBondContact O-N 3.33Å; V1027-L1031 HydrophobicContact CG1-CD1 4.21Å; V1027-L1031 HydrophobicContact CG1-CG 4.32Å; V1027-L1031 WeakPolarHBondContact O-CB 3.46Å; V1027-L1031 VanDerWaalsContact O-CG 3.28Å; V1027-L1031 WeakPolarHBondContact O-CG 3.49Å; V1027-L1031 PolarHBondContact O-N 2.79Å |
| 1028 | L | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.7 | -78.8 | 170.9 | 0 | 0 | 0 | 112.8 | L1004 I1008 M1024 F1025 S1030 L1031 S1032 A1077 L1078 L1081 | L1004-L1028 HydrophobicContact CB-CD2 3.97Å; L1004-L1028 HydrophobicContact CD1-CD2 3.85Å; L1004-L1028 HydrophobicContact CD1-CG 4.34Å; I1008-L1028 HydrophobicContact CD1-CD1 3.68Å; M1024-L1028 WeakPolarHBondContact O-CG 3.38Å; M1024-L1028 PolarHBondContact O-N 2.78Å; F1025-L1028 PolarHBondContact O-N 3.32Å; L1028-S1030 VanDerWaalsContact C-N 3.34Å; L1028-L1031 PolarHBondContact O-N 3.17Å; L1028-S1032 PolarHBondContact O-N 3.38Å; L1028-A1077 HydrophobicContact CD2-CB 4.28Å; L1028-L1078 HydrophobicContact CB-CD2 4.28Å; L1028-L1081 HydrophobicContact CD1-CD1 4.4Å |
| 1029 | L | 91.6 | Very high | 89.2 | Confident | 78 Ų | 78 | 60.1 Ų | 60.1 | 41% | 0.408 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 175.5 | -173.5 | 64.9 | 0 | 0 | 0 | 110.7 | F1025 E1026 V1027 L1031 S1032 L1033 L1078 | F1025-L1029 WeakPolarHBondContact O-CB 3.29Å; F1025-L1029 PolarHBondContact O-N 2.86Å; E1026-L1029 PolarHBondContact O-N 3.23Å; V1027-L1029 PolarHBondContact O-N 3.17Å; L1029-L1031 PolarHBondContact O-N 3.17Å; L1029-S1032 PolarHBondContact O-N 3.31Å; L1029-S1032 PolarHBondContact O-OG 3.24Å; L1029-L1033 HydrophobicContact CD1-CD1 4.3Å; L1029-L1033 HydrophobicContact CG-CD1 4.22Å; L1029-L1033 WeakPolarHBondContact O-CG 3.47Å; L1029-L1033 PolarHBondContact O-N 3.37Å; L1029-L1078 HydrophobicContact CD1-CD1 4.34Å |
| 1030 | S | 91.6 | Very high | 88.8 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | E1026 V1027 L1028 S1032 L1033 L1034 | E1026-S1030 VanDerWaalsContact O-CB 3.32Å; E1026-S1030 WeakPolarHBondContact O-CB 3.34Å; E1026-S1030 PolarHBondContact O-N 2.98Å; E1026-S1030 PolarHBondContact O-OG 3.31Å; V1027-S1030 WeakPolarHBondContact O-CB 3.18Å; V1027-S1030 PolarHBondContact O-N 3.33Å; L1028-S1030 VanDerWaalsContact C-N 3.34Å; S1030-S1032 VanDerWaalsContact C-N 3.29Å; S1030-S1032 PolarHBondContact O-N 3.31Å; S1030-L1033 CarbonylContact O-C 3.53Å; S1030-L1033 PolarHBondContact O-N 3.09Å; S1030-L1033 VanDerWaalsContact O-N 3.16Å; S1030-L1034 WeakPolarHBondContact O-CG 3.43Å; S1030-L1034 PolarHBondContact O-N 3.12Å; S1030-L1034 VanDerWaalsContact O-N 3.17Å |
| 1031 | L | 93.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -37.6 | 175.8 | -70.9 | -178.2 | 0 | 0 | 0 | 112.4 | A989 A1001 L1004 V1027 L1028 L1029 L1033 L1034 T1070 R1071 A1074 | A989-L1031 HydrophobicContact CB-CD1 4.15Å; A989-L1031 WeakPolarHBondContact O-CD2 3.38Å; A1001-L1031 HydrophobicContact CB-CD1 4.16Å; L1004-L1031 HydrophobicContact CD1-CD1 4.44Å; V1027-L1031 HydrophobicContact CG1-CD1 4.21Å; V1027-L1031 HydrophobicContact CG1-CG 4.32Å; V1027-L1031 WeakPolarHBondContact O-CB 3.46Å; V1027-L1031 VanDerWaalsContact O-CG 3.28Å; V1027-L1031 WeakPolarHBondContact O-CG 3.49Å; V1027-L1031 PolarHBondContact O-N 2.79Å; L1028-L1031 PolarHBondContact O-N 3.17Å; L1029-L1031 PolarHBondContact O-N 3.17Å; L1031-L1033 VanDerWaalsContact C-N 3.26Å; L1031-L1033 PolarHBondContact O-N 3.06Å; L1031-L1034 HydrophobicContact CD2-CD1 3.82Å; L1031-L1034 WeakPolarHBondContact O-CG 3.37Å; L1031-T1070 HydrophobicContact CB-CG2 4.25Å; L1031-T1070 HydrophobicContact CD2-CG2 3.84Å; L1031-T1070 HydrophobicContact CG-CG2 4.44Å; L1031-R1071 WeakPolarHBondContact O-CG 3.36Å; L1031-A1074 HydrophobicContact CB-CB 3.83Å |
| 1032 | S | 92.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.7 | -22 | 178.9 | 78.5 | 0 | 0 | 0 | 0 | 113.9 | L1028 L1029 S1030 | L1028-S1032 PolarHBondContact O-N 3.38Å; L1029-S1032 PolarHBondContact O-N 3.31Å; L1029-S1032 PolarHBondContact O-OG 3.24Å; S1030-S1032 VanDerWaalsContact C-N 3.29Å; S1030-S1032 PolarHBondContact O-N 3.31Å |
| 1033 | L | 92.5 | Very high | 87.7 | Confident | 123 Ų | 123 | 67.1 Ų | 67.1 | 64% | 0.644 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 9.6 | -175.6 | -63.6 | 176.4 | 0 | 0 | 0 | 113.2 | L1029 S1030 L1031 | L1029-L1033 HydrophobicContact CD1-CD1 4.3Å; L1029-L1033 HydrophobicContact CG-CD1 4.22Å; L1029-L1033 WeakPolarHBondContact O-CG 3.47Å; L1029-L1033 PolarHBondContact O-N 3.37Å; S1030-L1033 CarbonylContact O-C 3.53Å; S1030-L1033 PolarHBondContact O-N 3.09Å; S1030-L1033 VanDerWaalsContact O-N 3.16Å; L1031-L1033 VanDerWaalsContact C-N 3.26Å; L1031-L1033 PolarHBondContact O-N 3.06Å |
| 1034 | L | 91.2 | Very high | 87.3 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 128.9 | -179.1 | -69.5 | 170.6 | 0 | 0 | 0 | 111.1 | S1030 L1031 T1070 R1071 | S1030-L1034 WeakPolarHBondContact O-CG 3.43Å; S1030-L1034 PolarHBondContact O-N 3.12Å; S1030-L1034 VanDerWaalsContact O-N 3.17Å; L1031-L1034 HydrophobicContact CD2-CD1 3.82Å; L1031-L1034 WeakPolarHBondContact O-CG 3.37Å; L1034-T1070 HydrophobicContact CD1-CG2 3.92Å; L1034-R1071 HydrophobicContact CB-CG 4.43Å; L1034-R1071 WeakPolarHBondContact O-CD 3.44Å; L1034-R1071 PolarHBondContact O-NH1 3.36Å |
| 1035 | P | 89.7 | Confident | 86.8 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 63% | 0.63 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -65 | 159.1 | 175.4 | 28.7 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 1036 | D | 89 | Confident | 86.5 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 150.8 | 166.6 | -70.5 | -30.4 | 0 | 0 | 0 | 110.3 | D1038 Q1064 R1071 | D1036-D1038 PolarHBondContact O-N 2.99Å; D1036-Q1064 PolarHBondContact OD1-NE2 3.13Å; D1036-R1071 IonicContact OD1-CZ 3.18Å; D1036-R1071 IonicContact OD1-NH1 3.32Å; D1036-R1071 PolarHBondContact OD1-NH1 3.18Å; D1036-R1071 IonicContact OD1-NH2 2.93Å; D1036-R1071 PolarHBondContact OD1-NH2 3.39Å |
| 1037 | I | 85.6 | Confident | 86.1 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 23% | 0.226 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 125.3 | -179.1 | -57.6 | 173.7 | 0 | 0 | 0 | 108 | P1039 E1063 Q1064 | I1037-P1039 WeakPolarHBondContact O-CD 3.48Å; I1037-E1063 HydrophobicContact CD1-CB 3.68Å; I1037-Q1064 HydrophobicContact CD1-CB 4.42Å |
| 1038 | D | 84.8 | Confident | 85.8 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 127.8 | 178 | -169.9 | -30.3 | 0 | 0 | 0 | 109.2 | D1036 A1040 D1041 | D1036-D1038 PolarHBondContact O-N 2.99Å; D1038-A1040 PolarHBondContact O-N 3.44Å; D1038-A1040 WeakPolarHBondContact OD1-CB 3.45Å; D1038-A1040 PolarHBondContact OD1-N 3.21Å; D1038-D1041 WeakPolarHBondContact O-CB 3.23Å; D1038-D1041 PolarHBondContact O-N 3.11Å |
| 1039 | P | 78.5 | Confident | 85.3 | Confident | 102 Ų | 102 | 75.6 Ų | 75.6 | 66% | 0.662 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.6 | 173.8 | -25.6 | 33.6 | 0 | 0 | 0 | 114.7 | I1037 R1060 | I1037-P1039 WeakPolarHBondContact O-CD 3.48Å; P1039-R1060 PolarHBondContact O-NH1 3.04Å; P1039-R1060 PolarHBondContact O-NH2 2.77Å |
| 1040 | A | 79 | Confident | 84.9 | Confident | 77 Ų | 77 | 72 Ų | 72 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1038 Q1042 | D1038-A1040 PolarHBondContact O-N 3.44Å; D1038-A1040 WeakPolarHBondContact OD1-CB 3.45Å; D1038-A1040 PolarHBondContact OD1-N 3.21Å; A1040-Q1042 PolarHBondContact O-N 2.86Å |
| 1041 | D | 80.3 | Confident | 84.6 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -66.3 | 133.3 | -177 | -74.9 | -22 | 0 | 0 | 0 | 111.5 | D1038 R1060 | D1038-D1041 WeakPolarHBondContact O-CB 3.23Å; D1038-D1041 PolarHBondContact O-N 3.11Å; D1041-R1060 PolarHBondContact O-NH2 3.3Å |
| 1042 | Q | 79.3 | Confident | 83.8 | Confident | 179 Ų | 179 | 74.2 Ų | 74.2 | 84% | 0.836 | 42% | 0.416 | S | S | * | . | trans | -75.7 | 138 | 177.2 | -66.3 | -175.8 | 6.4 | 0 | 0 | 110.4 | A1040 L1044 | A1040-Q1042 PolarHBondContact O-N 2.86Å; Q1042-L1044 PolarHBondContact O-N 3.37Å; Q1042-L1044 VanDerWaalsContact O-N 3.12Å | ||
| 1043 | V | 80.1 | Confident | 83.2 | Confident | 16 Ų | 16 | 78.1 Ų | 78.1 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | trans | -61.6 | 115.3 | 172.2 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | I1047 R1048 D1056 I1059 R1060 | V1043-I1047 HydrophobicContact CB-CD1 4.48Å; V1043-I1047 HydrophobicContact CG1-CD1 3.58Å; V1043-I1047 HydrophobicContact CG1-CG1 3.76Å; V1043-R1048 HydrophobicContact CG1-CG 4.13Å; V1043-D1056 HydrophobicContact CG2-CB 4.25Å; V1043-I1059 HydrophobicContact CG1-CG2 4.02Å; V1043-R1060 HydrophobicContact CG2-CG 4.09Å | ||
| 1044 | L | 81.9 | Confident | 82.8 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 44% | 0.44 | 44% | 0.443 | S | S | . | . | trans | -56.2 | 142.2 | -178.8 | -68.9 | 167 | 0 | 0 | 0 | 110.7 | F992 Q1042 D1046 I1047 | F992-L1044 HydrophobicContact CB-CD1 4.32Å; F992-L1044 HydrophobicContact CD2-CD1 3.79Å; F992-L1044 HydrophobicContact CG-CD1 4.28Å; Q1042-L1044 PolarHBondContact O-N 3.37Å; Q1042-L1044 VanDerWaalsContact O-N 3.12Å; L1044-D1046 PolarHBondContact O-N 3.42Å; L1044-I1047 HydrophobicContact CB-CD1 4.35Å; L1044-I1047 HydrophobicContact CB-CG1 4.04Å; L1044-I1047 WeakPolarHBondContact O-CG1 3.44Å; L1044-I1047 PolarHBondContact O-N 3.36Å | ||
| 1045 | P | 80.4 | Confident | 82.6 | Confident | 92 Ų | 92 | 77 Ų | 77 | 60% | 0.597 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -56.5 | -38.6 | 178 | -25.4 | 34.4 | 0 | 0 | 0 | 112.8 | I1047 R1048 P1049 | P1045-I1047 VanDerWaalsContact C-N 3.3Å; P1045-I1047 PolarHBondContact O-N 3.08Å; P1045-R1048 WeakPolarHBondContact O-CB 3.3Å; P1045-R1048 PolarHBondContact O-N 2.9Å; P1045-P1049 WeakPolarHBondContact O-CD 3.09Å |
| 1046 | D | 82.1 | Confident | 82.4 | Confident | 95 Ų | 95 | 76 Ų | 76 | 51% | 0.508 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -72.2 | -18.4 | -173.6 | -57.1 | -25.6 | 0 | 0 | 0 | 114 | L952 F992 L1044 P1049 | L952-D1046 WeakPolarHBondContact CD1-O 3.39Å; F992-D1046 HydrophobicContact CE2-CB 3.93Å; F992-D1046 HydrophobicContact CZ-CB 3.88Å; L1044-D1046 PolarHBondContact O-N 3.42Å; D1046-P1049 WeakPolarHBondContact O-CD 3.38Å |
| 1047 | I | 82.3 | Confident | 82.2 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 6% | 0.062 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -89.2 | -19.7 | 176.6 | 59.5 | 171.3 | 0 | 0 | 0 | 113 | F992 V1043 L1044 P1045 P1049 L1050 | F992-I1047 HydrophobicContact CD2-CG2 3.9Å; F992-I1047 HydrophobicContact CE2-CG2 3.75Å; V1043-I1047 HydrophobicContact CB-CD1 4.48Å; V1043-I1047 HydrophobicContact CG1-CD1 3.58Å; V1043-I1047 HydrophobicContact CG1-CG1 3.76Å; L1044-I1047 HydrophobicContact CB-CD1 4.35Å; L1044-I1047 HydrophobicContact CB-CG1 4.04Å; L1044-I1047 WeakPolarHBondContact O-CG1 3.44Å; L1044-I1047 PolarHBondContact O-N 3.36Å; P1045-I1047 VanDerWaalsContact C-N 3.3Å; P1045-I1047 PolarHBondContact O-N 3.08Å; I1047-P1049 VanDerWaalsContact C-CD 3.42Å; I1047-P1049 VanDerWaalsContact C-N 3.33Å; I1047-L1050 WeakPolarHBondContact O-CB 3.43Å; I1047-L1050 PolarHBondContact O-N 3.45Å |
| 1048 | R | 83.8 | Confident | 82.3 | Confident | 128 Ų | 128 | 77.2 Ų | 77.2 | 48% | 0.483 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -56 | -40 | 179.5 | -65.7 | 179.4 | 173.9 | -170.6 | -6.8 | 113.2 | V1043 P1045 L1050 Y1051 D1056 | V1043-R1048 HydrophobicContact CG1-CG 4.13Å; P1045-R1048 WeakPolarHBondContact O-CB 3.3Å; P1045-R1048 PolarHBondContact O-N 2.9Å; R1048-L1050 PolarHBondContact O-N 3.45Å; R1048-Y1051 CarbonylContact O-C 3.59Å; R1048-Y1051 PolarHBondContact O-N 3.24Å; R1048-D1056 IonicContact NH2-OD2 2.68Å |
| 1049 | P | 82.7 | Confident | 82.4 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -59.1 | -27.1 | 176.3 | -26.2 | 36 | 0 | 0 | 0 | 114.5 | P1045 D1046 I1047 Y1051 | P1045-P1049 WeakPolarHBondContact O-CD 3.09Å; D1046-P1049 WeakPolarHBondContact O-CD 3.38Å; I1047-P1049 VanDerWaalsContact C-CD 3.42Å; I1047-P1049 VanDerWaalsContact C-N 3.33Å; P1049-Y1051 PolarHBondContact O-N 3.12Å |
| 1050 | L | 83.3 | Confident | 82.8 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.016 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -71 | -19.4 | 177.2 | -61.6 | 177.3 | 0 | 0 | 0 | 112.3 | L952 L953 R956 S993 I1047 R1048 P1052 | L952-L1050 HydrophobicContact CB-CD2 4.03Å; L953-L1050 HydrophobicContact CD2-CD2 3.99Å; R956-L1050 HydrophobicContact CB-CD2 4.22Å; R956-L1050 PolarHBondContact NH1-O 2.92Å; S993-L1050 WeakPolarHBondContact OG-CD1 3.27Å; I1047-L1050 WeakPolarHBondContact O-CB 3.43Å; I1047-L1050 PolarHBondContact O-N 3.45Å; R1048-L1050 PolarHBondContact O-N 3.45Å; L1050-P1052 VanDerWaalsContact C-CD 3.45Å; L1050-P1052 WeakPolarHBondContact O-CD 3.36Å |
| 1051 | Y | 84.2 | Confident | 83.3 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 6% | 0.063 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -126.9 | 64.9 | -175.2 | -59.3 | -79.3 | 0 | 0 | 0 | 111.4 | A995 R1048 P1049 G1053 C1054 I1059 L1062 E1063 | A995-Y1051 WeakPolarHBondContact CB-OH 3.41Å; R1048-Y1051 CarbonylContact O-C 3.59Å; R1048-Y1051 PolarHBondContact O-N 3.24Å; P1049-Y1051 PolarHBondContact O-N 3.12Å; Y1051-G1053 PolarHBondContact O-N 3.06Å; Y1051-C1054 PolarHBondContact O-N 3.49Å; Y1051-I1059 HydrophobicContact CD2-CG1 4.4Å; Y1051-I1059 HydrophobicContact CD2-CG2 3.81Å; Y1051-I1059 HydrophobicContact CE2-CG2 4.14Å; Y1051-I1059 HydrophobicContact CG-CG1 4.14Å; Y1051-I1059 HydrophobicContact CG-CG2 4.31Å; Y1051-L1062 HydrophobicContact CD1-CD1 3.81Å; Y1051-L1062 HydrophobicContact CE1-CB 4.03Å; Y1051-L1062 HydrophobicContact CE1-CD1 3.82Å; Y1051-E1063 HydrophobicContact CE2-CG 4.13Å; Y1051-E1063 WeakPolarHBondContact CE2-OE1 3.24Å; Y1051-E1063 PolarHBondContact OH-OE1 3.2Å |
| 1052 | P | 77.5 | Confident | 83.8 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 69% | 0.688 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 131.7 | -177.9 | 25.7 | -33.6 | 0 | 0 | 0 | 111 | L1050 C1054 | L1050-P1052 VanDerWaalsContact C-CD 3.45Å; L1050-P1052 WeakPolarHBondContact O-CD 3.36Å; P1052-C1054 VanDerWaalsContact C-N 3.26Å; P1052-C1054 PolarHBondContact O-N 3.49Å |
| 1053 | G | 80.1 | Confident | 84.3 | Confident | 92 Ų | 92 | 64.5 Ų | 64.5 | 95% | 0.948 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 2.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y1051 | Y1051-G1053 PolarHBondContact O-N 3.06Š|
| 1054 | C | 84.1 | Confident | 84.9 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 32% | 0.324 | 37% | 0.373 | S | S | . | . | trans | -84.7 | 143.3 | 176.8 | -66 | 0 | 0 | 0 | 0 | 111.2 | Y1051 P1052 R1058 I1059 | Y1051-C1054 PolarHBondContact O-N 3.49Å; P1052-C1054 VanDerWaalsContact C-N 3.26Å; P1052-C1054 PolarHBondContact O-N 3.49Å; C1054-R1058 HydrophobicContact CB-CB 4.47Å; C1054-R1058 HydrophobicContact CB-CG 4.49Å; C1054-I1059 HydrophobicContact CB-CD1 4.19Å; C1054-I1059 HydrophobicContact CB-CG1 3.63Å | ||
| 1055 | S | 87.1 | Confident | 85.4 | Confident | 80 Ų | 80 | 68.4 Ų | 68.4 | 56% | 0.559 | 38% | 0.382 | S | S | * | . | trans | -73 | 153.3 | 169.1 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | G1057 R1058 I1059 | S1055-G1057 PolarHBondContact O-N 3.22Å; S1055-G1057 VanDerWaalsContact O-N 3.12Å; S1055-R1058 WeakPolarHBondContact O-CA 3.43Å; S1055-R1058 PolarHBondContact O-N 3.28Å; S1055-R1058 PolarHBondContact OG-N 3.3Å; S1055-I1059 WeakPolarHBondContact O-CG1 3.34Å; S1055-I1059 PolarHBondContact O-N 2.75Å | ||
| 1056 | D | 84.2 | Confident | 86.1 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.8 | -36.5 | 179.5 | -72.7 | 1.4 | 0 | 0 | 0 | 112.5 | V1043 R1048 I1059 R1060 | V1043-D1056 HydrophobicContact CG2-CB 4.25Å; R1048-D1056 IonicContact NH2-OD2 2.68Å; D1056-I1059 PolarHBondContact O-N 3.48Å; D1056-R1060 WeakPolarHBondContact O-CG 3.36Å; D1056-R1060 PolarHBondContact O-N 3.37Å; D1056-R1060 VanDerWaalsContact O-N 3.08Å |
| 1057 | G | 85.6 | Confident | 86.6 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1055 R1060 E1061 | S1055-G1057 PolarHBondContact O-N 3.22Å; S1055-G1057 VanDerWaalsContact O-N 3.12Å; G1057-R1060 PolarHBondContact O-N 3.35Å; G1057-E1061 PolarHBondContact O-N 3.43Å; G1057-E1061 VanDerWaalsContact O-N 3.14Å |
| 1058 | R | 87.4 | Confident | 87.1 | Confident | 123 Ų | 123 | 67 Ų | 67 | 46% | 0.464 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 178.5 | -176.4 | 55.5 | 174.4 | -178.6 | -0.1 | 112.4 | C1054 S1055 R1060 E1061 L1062 | C1054-R1058 HydrophobicContact CB-CB 4.47Å; C1054-R1058 HydrophobicContact CB-CG 4.49Å; S1055-R1058 WeakPolarHBondContact O-CA 3.43Å; S1055-R1058 PolarHBondContact O-N 3.28Å; S1055-R1058 PolarHBondContact OG-N 3.3Å; R1058-R1060 VanDerWaalsContact C-N 3.32Å; R1058-E1061 WeakPolarHBondContact CD-OE2 3.42Å; R1058-E1061 IonicContact CZ-OE2 3.75Å; R1058-E1061 IonicContact NH1-OE2 2.76Å; R1058-E1061 PolarHBondContact NH1-OE2 2.76Å; R1058-E1061 PolarHBondContact O-N 2.93Å; R1058-L1062 HydrophobicContact CG-CD1 4.38Å; R1058-L1062 WeakPolarHBondContact O-CG 3.44Å; R1058-L1062 PolarHBondContact O-N 2.62Å; R1058-L1062 VanDerWaalsContact O-N 3.12Å |
| 1059 | I | 87.7 | Confident | 87.6 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 174.9 | -64.1 | 174.7 | 0 | 0 | 0 | 109.7 | V1043 Y1051 C1054 S1055 D1056 E1061 L1062 E1063 | V1043-I1059 HydrophobicContact CG1-CG2 4.02Å; Y1051-I1059 HydrophobicContact CD2-CG1 4.4Å; Y1051-I1059 HydrophobicContact CD2-CG2 3.81Å; Y1051-I1059 HydrophobicContact CE2-CG2 4.14Å; Y1051-I1059 HydrophobicContact CG-CG1 4.14Å; Y1051-I1059 HydrophobicContact CG-CG2 4.31Å; C1054-I1059 HydrophobicContact CB-CD1 4.19Å; C1054-I1059 HydrophobicContact CB-CG1 3.63Å; S1055-I1059 WeakPolarHBondContact O-CG1 3.34Å; S1055-I1059 PolarHBondContact O-N 2.75Å; D1056-I1059 PolarHBondContact O-N 3.48Å; I1059-E1061 PolarHBondContact O-N 3.4Å; I1059-L1062 PolarHBondContact O-N 2.81Å; I1059-E1063 HydrophobicContact CG2-CG 4.27Å; I1059-E1063 WeakPolarHBondContact O-CG 3.39Å; I1059-E1063 PolarHBondContact O-N 3.47Å |
| 1060 | R | 86.7 | Confident | 88.2 | Confident | 92 Ų | 92 | 58.3 Ų | 58.3 | 35% | 0.347 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 177.1 | -72.8 | 173.3 | 177.4 | -172.1 | -5.7 | 112.8 | P1039 D1041 V1043 D1056 G1057 R1058 L1062 E1063 Q1064 | P1039-R1060 PolarHBondContact O-NH1 3.04Å; P1039-R1060 PolarHBondContact O-NH2 2.77Å; D1041-R1060 PolarHBondContact O-NH2 3.3Å; V1043-R1060 HydrophobicContact CG2-CG 4.09Å; D1056-R1060 WeakPolarHBondContact O-CG 3.36Å; D1056-R1060 PolarHBondContact O-N 3.37Å; D1056-R1060 VanDerWaalsContact O-N 3.08Å; G1057-R1060 PolarHBondContact O-N 3.35Å; R1058-R1060 VanDerWaalsContact C-N 3.32Å; R1060-L1062 VanDerWaalsContact C-N 3.31Å; R1060-L1062 PolarHBondContact O-N 3Å; R1060-E1063 PolarHBondContact O-N 2.84Å; R1060-Q1064 WeakPolarHBondContact O-CB 3.46Å; R1060-Q1064 PolarHBondContact O-N 3.2Å |
| 1061 | E | 89.2 | Confident | 88.8 | Confident | 113 Ų | 113 | 59.9 Ų | 59.9 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 175.5 | -71.9 | 174.6 | -178.1 | 0 | 0 | 112.4 | G1057 R1058 I1059 K1065 | G1057-E1061 PolarHBondContact O-N 3.43Å; G1057-E1061 VanDerWaalsContact O-N 3.14Å; R1058-E1061 WeakPolarHBondContact CD-OE2 3.42Å; R1058-E1061 IonicContact CZ-OE2 3.75Å; R1058-E1061 IonicContact NH1-OE2 2.76Å; R1058-E1061 PolarHBondContact NH1-OE2 2.76Å; R1058-E1061 PolarHBondContact O-N 2.93Å; I1059-E1061 PolarHBondContact O-N 3.4Å; E1061-K1065 WeakPolarHBondContact O-CB 3.33Å; E1061-K1065 PolarHBondContact O-N 3.31Å |
| 1062 | L | 90.1 | Very high | 89.3 | Confident | 49 Ų | 49 | 63.4 Ų | 63.4 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70 | -46.4 | 179.6 | -69.1 | 172.9 | 0 | 0 | 0 | 111.8 | Y1051 R1058 I1059 R1060 Q1064 K1065 D1066 | Y1051-L1062 HydrophobicContact CD1-CD1 3.81Å; Y1051-L1062 HydrophobicContact CE1-CB 4.03Å; Y1051-L1062 HydrophobicContact CE1-CD1 3.82Å; R1058-L1062 HydrophobicContact CG-CD1 4.38Å; R1058-L1062 WeakPolarHBondContact O-CG 3.44Å; R1058-L1062 PolarHBondContact O-N 2.62Å; R1058-L1062 VanDerWaalsContact O-N 3.12Å; I1059-L1062 PolarHBondContact O-N 2.81Å; R1060-L1062 VanDerWaalsContact C-N 3.31Å; R1060-L1062 PolarHBondContact O-N 3Å; L1062-Q1064 VanDerWaalsContact C-N 3.32Å; L1062-Q1064 PolarHBondContact O-N 3.44Å; L1062-K1065 WeakPolarHBondContact O-CB 3.24Å; L1062-K1065 PolarHBondContact O-N 2.98Å; L1062-D1066 PolarHBondContact O-N 3.06Å |
| 1063 | E | 91 | Very high | 90.1 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 177 | -74.4 | -77.3 | 118.1 | 0 | 0 | 111.4 | C994 A995 I1037 Y1051 I1059 R1060 D1066 R1067 | C994-E1063 HydrophobicContact CB-CB 4.22Å; C994-E1063 WeakPolarHBondContact CB-O 3.18Å; C994-E1063 WeakPolarHBondContact CB-OE2 3.41Å; C994-E1063 PolarHBondContact N-OE2 3.02Å; C994-E1063 PolarHBondContact SG-OE2 3.4Å; A995-E1063 PolarHBondContact N-OE1 2.84Å; I1037-E1063 HydrophobicContact CD1-CB 3.68Å; Y1051-E1063 HydrophobicContact CE2-CG 4.13Å; Y1051-E1063 WeakPolarHBondContact CE2-OE1 3.24Å; Y1051-E1063 PolarHBondContact OH-OE1 3.2Å; I1059-E1063 HydrophobicContact CG2-CG 4.27Å; I1059-E1063 WeakPolarHBondContact O-CG 3.39Å; I1059-E1063 PolarHBondContact O-N 3.47Å; R1060-E1063 PolarHBondContact O-N 2.84Å; E1063-D1066 PolarHBondContact O-N 3.39Å; E1063-R1067 WeakPolarHBondContact O-CB 3.44Å; E1063-R1067 PolarHBondContact O-N 3.06Å |
| 1064 | Q | 91.7 | Very high | 90.7 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 175.4 | -179.9 | 57 | 32.9 | 0 | 0 | 111.5 | D1036 I1037 R1060 L1062 R1067 E1068 | D1036-Q1064 PolarHBondContact OD1-NE2 3.13Å; I1037-Q1064 HydrophobicContact CD1-CB 4.42Å; R1060-Q1064 WeakPolarHBondContact O-CB 3.46Å; R1060-Q1064 PolarHBondContact O-N 3.2Å; L1062-Q1064 VanDerWaalsContact C-N 3.32Å; L1062-Q1064 PolarHBondContact O-N 3.44Å; Q1064-R1067 WeakPolarHBondContact O-CB 3.38Å; Q1064-R1067 PolarHBondContact O-N 3.03Å; Q1064-E1068 PolarHBondContact NE2-OE1 3.11Å; Q1064-E1068 VanDerWaalsContact NE2-OE1 3.14Å; Q1064-E1068 PolarHBondContact O-N 2.98Å |
| 1065 | K | 93.3 | Very high | 91.1 | Very high | 144 Ų | 144 | 56.8 Ų | 56.8 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 173.7 | -173.6 | -178.2 | 178.5 | -176.9 | 0 | 112 | E1061 L1062 R1067 E1068 G1069 | E1061-K1065 WeakPolarHBondContact O-CB 3.33Å; E1061-K1065 PolarHBondContact O-N 3.31Å; L1062-K1065 WeakPolarHBondContact O-CB 3.24Å; L1062-K1065 PolarHBondContact O-N 2.98Å; K1065-R1067 VanDerWaalsContact C-N 3.33Å; K1065-E1068 PolarHBondContact O-N 3.31Å; K1065-G1069 PolarHBondContact O-N 3.36Å |
| 1066 | D | 93.1 | Very high | 91.4 | Very high | 31 Ų | 31 | 57 Ų | 57 | 17% | 0.166 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 174.7 | -80.2 | -31 | 0 | 0 | 0 | 111.5 | C994 A995 H998 L1062 E1063 G1069 T1070 | C994-D1066 HydrophobicContact CB-CB 4.04Å; A995-D1066 WeakPolarHBondContact CA-OD2 3.4Å; H998-D1066 HydrophobicContact CB-CB 4.05Å; H998-D1066 IonicContact CE1-OD1 3.48Å; H998-D1066 IonicContact CG-OD1 3.65Å; H998-D1066 IonicContact ND1-OD1 3.78Å; H998-D1066 PolarHBondContact ND1-OD1 2.87Å; L1062-D1066 PolarHBondContact O-N 3.06Å; E1063-D1066 PolarHBondContact O-N 3.39Å; D1066-G1069 PolarHBondContact O-N 3.35Å; D1066-T1070 WeakPolarHBondContact O-CB 3.46Å; D1066-T1070 PolarHBondContact O-N 3.5Å; D1066-T1070 PolarHBondContact O-OG1 2.64Å |
| 1067 | R | 93 | Very high | 91.7 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 173.7 | -173.3 | 70.1 | 65.9 | 152.9 | 7.4 | 111.6 | C994 E1063 Q1064 K1065 T1070 R1071 | C994-R1067 VanDerWaalsContact SG-CZ 3.56Å; C994-R1067 PolarHBondContact SG-NE 3.39Å; C994-R1067 VanDerWaalsContact SG-NE 3.37Å; C994-R1067 PolarHBondContact SG-NH2 2.9Å; E1063-R1067 WeakPolarHBondContact O-CB 3.44Å; E1063-R1067 PolarHBondContact O-N 3.06Å; Q1064-R1067 WeakPolarHBondContact O-CB 3.38Å; Q1064-R1067 PolarHBondContact O-N 3.03Å; K1065-R1067 VanDerWaalsContact C-N 3.33Å; R1067-T1070 WeakPolarHBondContact O-CB 3.27Å; R1067-T1070 PolarHBondContact O-N 2.88Å; R1067-R1071 PolarHBondContact O-N 3.05Å; R1067-R1071 VanDerWaalsContact O-N 3.15Å |
| 1068 | E | 93.8 | Very high | 92 | Very high | 100 Ų | 100 | 52.9 Ų | 52.9 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 173.9 | -76.4 | 167.2 | -158.4 | 0 | 0 | 111.9 | Q1064 K1065 T1070 R1071 E1072 | Q1064-E1068 PolarHBondContact NE2-OE1 3.11Å; Q1064-E1068 VanDerWaalsContact NE2-OE1 3.14Å; Q1064-E1068 PolarHBondContact O-N 2.98Å; K1065-E1068 PolarHBondContact O-N 3.31Å; E1068-T1070 VanDerWaalsContact C-N 3.32Å; E1068-T1070 PolarHBondContact O-N 3.06Å; E1068-R1071 PolarHBondContact O-N 2.95Å; E1068-E1072 PolarHBondContact O-N 3.03Å |
| 1069 | G | 93.5 | Very high | 92.1 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 19% | 0.186 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | K1065 D1066 E1072 C1073 | K1065-G1069 PolarHBondContact O-N 3.36Å; D1066-G1069 PolarHBondContact O-N 3.35Å; G1069-E1072 PolarHBondContact O-N 2.97Å; G1069-C1073 PolarHBondContact O-N 3.35Å; G1069-C1073 PolarHBondContact O-SG 2.92Å |
| 1070 | T | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | Q997 H998 A1001 L1031 L1034 D1066 R1067 E1068 E1072 C1073 A1074 | Q997-T1070 HydrophobicContact CB-CG2 4.28Å; H998-T1070 WeakPolarHBondContact CA-OG1 3.28Å; H998-T1070 VanDerWaalsContact CB-OG1 3.29Å; H998-T1070 WeakPolarHBondContact CB-OG1 3.49Å; H998-T1070 PolarHBondContact N-OG1 3.31Å; A1001-T1070 HydrophobicContact CB-CG2 3.89Å; L1031-T1070 HydrophobicContact CB-CG2 4.25Å; L1031-T1070 HydrophobicContact CD2-CG2 3.84Å; L1031-T1070 HydrophobicContact CG-CG2 4.44Å; L1034-T1070 HydrophobicContact CD1-CG2 3.92Å; D1066-T1070 WeakPolarHBondContact O-CB 3.46Å; D1066-T1070 PolarHBondContact O-N 3.5Å; D1066-T1070 PolarHBondContact O-OG1 2.64Å; R1067-T1070 WeakPolarHBondContact O-CB 3.27Å; R1067-T1070 PolarHBondContact O-N 2.88Å; E1068-T1070 VanDerWaalsContact C-N 3.32Å; E1068-T1070 PolarHBondContact O-N 3.06Å; T1070-E1072 VanDerWaalsContact C-N 3.35Å; T1070-E1072 PolarHBondContact O-N 3.26Å; T1070-C1073 PolarHBondContact O-N 2.85Å; T1070-A1074 WeakPolarHBondContact O-CB 3.28Å; T1070-A1074 PolarHBondContact O-N 3.11Å |
| 1071 | R | 95.7 | Very high | 92.1 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.7 | -72.9 | -171.4 | -66.1 | -111.3 | 4.5 | 112 | L1031 L1034 D1036 R1067 E1068 A1074 K1075 | L1031-R1071 WeakPolarHBondContact O-CG 3.36Å; L1034-R1071 HydrophobicContact CB-CG 4.43Å; L1034-R1071 WeakPolarHBondContact O-CD 3.44Å; L1034-R1071 PolarHBondContact O-NH1 3.36Å; D1036-R1071 IonicContact OD1-CZ 3.18Å; D1036-R1071 IonicContact OD1-NH1 3.32Å; D1036-R1071 PolarHBondContact OD1-NH1 3.18Å; D1036-R1071 IonicContact OD1-NH2 2.93Å; D1036-R1071 PolarHBondContact OD1-NH2 3.39Å; R1067-R1071 PolarHBondContact O-N 3.05Å; R1067-R1071 VanDerWaalsContact O-N 3.15Å; E1068-R1071 PolarHBondContact O-N 2.95Å; R1071-A1074 PolarHBondContact O-N 2.99Å; R1071-K1075 WeakPolarHBondContact O-CB 2.98Å; R1071-K1075 VanDerWaalsContact O-CG 3.26Å; R1071-K1075 WeakPolarHBondContact O-CG 3.42Å; R1071-K1075 PolarHBondContact O-N 3.27Å |
| 1072 | E | 94.2 | Very high | 92 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 179.4 | -179.9 | 61.4 | -167.1 | 0 | 0 | 111.6 | E1068 G1069 T1070 K1075 K1076 | E1068-E1072 PolarHBondContact O-N 3.03Å; G1069-E1072 PolarHBondContact O-N 2.97Å; T1070-E1072 VanDerWaalsContact C-N 3.35Å; T1070-E1072 PolarHBondContact O-N 3.26Å; E1072-K1075 PolarHBondContact O-N 3.32Å; E1072-K1076 WeakPolarHBondContact O-CG 3.33Å; E1072-K1076 PolarHBondContact O-N 3.04Å; E1072-K1076 VanDerWaalsContact O-N 3.1Å; E1072-K1076 WeakPolarHBondContact OE1-CE 3.47Å; E1072-K1076 IonicContact OE1-NZ 3.23Å; E1072-K1076 PolarHBondContact OE1-NZ 3.11Å |
| 1073 | C | 94.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 177 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | A1001 Q1005 G1069 T1070 K1076 A1077 | A1001-C1073 HydrophobicContact CB-CB 3.9Å; Q1005-C1073 HydrophobicContact CB-CB 4.34Å; Q1005-C1073 VanDerWaalsContact OE1-CB 3.25Å; Q1005-C1073 PolarHBondContact OE1-SG 3.35Å; Q1005-C1073 VanDerWaalsContact OE1-SG 3.34Å; G1069-C1073 PolarHBondContact O-N 3.35Å; G1069-C1073 PolarHBondContact O-SG 2.92Å; T1070-C1073 PolarHBondContact O-N 2.85Å; C1073-K1076 PolarHBondContact O-N 3.42Å; C1073-A1077 WeakPolarHBondContact O-CB 3.35Å; C1073-A1077 PolarHBondContact O-N 2.61Å |
| 1074 | A | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1031 T1070 R1071 A1077 L1078 | L1031-A1074 HydrophobicContact CB-CB 3.83Å; T1070-A1074 WeakPolarHBondContact O-CB 3.28Å; T1070-A1074 PolarHBondContact O-N 3.11Å; R1071-A1074 PolarHBondContact O-N 2.99Å; A1074-A1077 WeakPolarHBondContact O-CB 3.46Å; A1074-A1077 PolarHBondContact O-N 2.89Å; A1074-L1078 VanDerWaalsContact O-CG 3.32Å; A1074-L1078 WeakPolarHBondContact O-CG 3.35Å; A1074-L1078 PolarHBondContact O-N 2.91Å |
| 1075 | K | 93.1 | Very high | 90.5 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 175.4 | -76.9 | 175 | -177 | -179.9 | 0 | 111.9 | R1071 E1072 A1077 L1078 E1079 | R1071-K1075 WeakPolarHBondContact O-CB 2.98Å; R1071-K1075 VanDerWaalsContact O-CG 3.26Å; R1071-K1075 WeakPolarHBondContact O-CG 3.42Å; R1071-K1075 PolarHBondContact O-N 3.27Å; E1072-K1075 PolarHBondContact O-N 3.32Å; K1075-A1077 VanDerWaalsContact C-N 3.28Å; K1075-A1077 PolarHBondContact O-N 3.37Å; K1075-L1078 PolarHBondContact O-N 3.4Å; K1075-L1078 VanDerWaalsContact O-N 3.17Å; K1075-E1079 WeakPolarHBondContact O-CB 3.38Å; K1075-E1079 WeakPolarHBondContact O-CG 3.46Å; K1075-E1079 PolarHBondContact O-N 3.26Å |
| 1076 | K | 92.8 | Very high | 89.5 | Confident | 85 Ų | 85 | 55.3 Ų | 55.3 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 175.5 | -76.3 | 175.5 | 175.7 | 145.5 | 0 | 112.3 | Q1005 E1072 C1073 R1080 | Q1005-K1076 HydrophobicContact CG-CB 4.24Å; E1072-K1076 WeakPolarHBondContact O-CG 3.33Å; E1072-K1076 PolarHBondContact O-N 3.04Å; E1072-K1076 VanDerWaalsContact O-N 3.1Å; E1072-K1076 WeakPolarHBondContact OE1-CE 3.47Å; E1072-K1076 IonicContact OE1-NZ 3.23Å; E1072-K1076 PolarHBondContact OE1-NZ 3.11Å; C1073-K1076 PolarHBondContact O-N 3.42Å; K1076-R1080 WeakPolarHBondContact O-CB 3.36Å; K1076-R1080 PolarHBondContact O-N 3.39Å |
| 1077 | A | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1005 I1008 L1028 C1073 A1074 K1075 R1080 L1081 | Q1005-A1077 HydrophobicContact CB-CB 4.39Å; I1008-A1077 HydrophobicContact CD1-CB 3.74Å; L1028-A1077 HydrophobicContact CD2-CB 4.28Å; C1073-A1077 WeakPolarHBondContact O-CB 3.35Å; C1073-A1077 PolarHBondContact O-N 2.61Å; A1074-A1077 WeakPolarHBondContact O-CB 3.46Å; A1074-A1077 PolarHBondContact O-N 2.89Å; K1075-A1077 VanDerWaalsContact C-N 3.28Å; K1075-A1077 PolarHBondContact O-N 3.37Å; A1077-R1080 PolarHBondContact O-N 2.89Å; A1077-L1081 WeakPolarHBondContact O-CG 3.24Å; A1077-L1081 PolarHBondContact O-N 2.86Å |
| 1078 | L | 90.8 | Very high | 86.5 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 178.7 | -70.4 | 169.9 | 0 | 0 | 0 | 112.7 | F1025 L1028 L1029 A1074 K1075 R1080 L1081 K1082 | F1025-L1078 HydrophobicContact CD2-CD2 4.35Å; F1025-L1078 HydrophobicContact CE2-CD2 3.79Å; F1025-L1078 HydrophobicContact CZ-CD2 4.46Å; L1028-L1078 HydrophobicContact CB-CD2 4.28Å; L1029-L1078 HydrophobicContact CD1-CD1 4.34Å; A1074-L1078 VanDerWaalsContact O-CG 3.32Å; A1074-L1078 WeakPolarHBondContact O-CG 3.35Å; A1074-L1078 PolarHBondContact O-N 2.91Å; K1075-L1078 PolarHBondContact O-N 3.4Å; K1075-L1078 VanDerWaalsContact O-N 3.17Å; L1078-R1080 VanDerWaalsContact C-N 3.32Å; L1078-R1080 PolarHBondContact O-N 3.2Å; L1078-L1081 PolarHBondContact O-N 2.82Å; L1078-K1082 WeakPolarHBondContact O-CB 3.27Å; L1078-K1082 PolarHBondContact O-N 3.23Å |
| 1079 | E | 90.1 | Very high | 84.2 | Confident | 121 Ų | 121 | 66.2 Ų | 66.2 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.4 | -45.1 | 173.8 | -75.8 | 176.1 | 175.2 | 0 | 0 | 110.9 | K1075 K1082 E1083 | K1075-E1079 WeakPolarHBondContact O-CB 3.38Å; K1075-E1079 WeakPolarHBondContact O-CG 3.46Å; K1075-E1079 PolarHBondContact O-N 3.26Å; E1079-K1082 WeakPolarHBondContact O-CB 3.29Å; E1079-K1082 PolarHBondContact O-N 3.03Å; E1079-E1083 WeakPolarHBondContact O-CG 3.32Å; E1079-E1083 PolarHBondContact O-N 3.38Å |
| 1080 | R | 86.8 | Confident | 81.7 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 177.3 | -173.9 | 65 | 175.3 | 153.8 | -1.3 | 113.1 | I1008 L1009 K1076 A1077 L1078 K1082 E1083 H1084 | I1008-R1080 HydrophobicContact CG2-CB 3.76Å; I1008-R1080 HydrophobicContact CG2-CG 3.7Å; L1009-R1080 HydrophobicContact CD2-CB 4.05Å; L1009-R1080 HydrophobicContact CD2-CG 3.89Å; K1076-R1080 WeakPolarHBondContact O-CB 3.36Å; K1076-R1080 PolarHBondContact O-N 3.39Å; A1077-R1080 PolarHBondContact O-N 2.89Å; L1078-R1080 VanDerWaalsContact C-N 3.32Å; L1078-R1080 PolarHBondContact O-N 3.2Å; R1080-K1082 VanDerWaalsContact C-N 3.26Å; R1080-K1082 PolarHBondContact O-N 3.41Å; R1080-E1083 WeakPolarHBondContact CD-OE2 3.43Å; R1080-E1083 IonicContact CZ-OE2 3.22Å; R1080-E1083 IonicContact NE-OE2 3.45Å; R1080-E1083 IonicContact NH1-OE2 3.28Å; R1080-E1083 PolarHBondContact NH1-OE2 3.37Å; R1080-E1083 WeakPolarHBondContact O-CB 3.33Å; R1080-E1083 PolarHBondContact O-N 2.92Å; R1080-H1084 VanDerWaalsContact CZ-CE1 3.47Å; R1080-H1084 VanDerWaalsContact CZ-NE2 3.34Å; R1080-H1084 PolarHBondContact NE-NE2 3.14Å; R1080-H1084 VanDerWaalsContact NE-NE2 3.14Å; R1080-H1084 PolarHBondContact NH2-CE1 3.38Å; R1080-H1084 VanDerWaalsContact NH2-CE1 3.31Å; R1080-H1084 PolarHBondContact NH2-NE2 2.81Å; R1080-H1084 PolarHBondContact O-CD2 3.25Å; R1080-H1084 VanDerWaalsContact O-CD2 3.26Å; R1080-H1084 PolarHBondContact O-N 2.97Å |
| 1081 | L | 87.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 174.5 | -71.7 | 174.3 | 0 | 0 | 0 | 112.1 | I1008 F1025 L1028 A1077 L1078 H1084 G1085 F1086 V1087 | I1008-L1081 HydrophobicContact CD1-CD1 3.78Å; I1008-L1081 HydrophobicContact CD1-CD2 4.28Å; I1008-L1081 HydrophobicContact CD1-CG 3.98Å; I1008-L1081 HydrophobicContact CG1-CD2 4.18Å; I1008-L1081 HydrophobicContact CG1-CG 4.35Å; I1008-L1081 HydrophobicContact CG2-CD2 3.96Å; I1008-L1081 HydrophobicContact CG2-CG 3.92Å; F1025-L1081 HydrophobicContact CD2-CD1 4.42Å; L1028-L1081 HydrophobicContact CD1-CD1 4.4Å; A1077-L1081 WeakPolarHBondContact O-CG 3.24Å; A1077-L1081 PolarHBondContact O-N 2.86Å; L1078-L1081 PolarHBondContact O-N 2.82Å; L1081-H1084 PolarHBondContact O-N 3.23Å; L1081-G1085 PolarHBondContact O-N 3.22Å; L1081-F1086 HydrophobicContact CD2-CD2 4.42Å; L1081-F1086 PolarHBondContact O-N 3.06Å; L1081-V1087 HydrophobicContact CB-CG2 3.97Å |
| 1082 | K | 85.4 | Confident | 76.3 | Confident | 130 Ų | 130 | 82.6 Ų | 82.6 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.3 | -42.7 | 174 | -171.2 | -177.1 | -179.7 | 178.2 | 0 | 111.8 | L1078 E1079 R1080 H1084 G1085 | L1078-K1082 WeakPolarHBondContact O-CB 3.27Å; L1078-K1082 PolarHBondContact O-N 3.23Å; E1079-K1082 WeakPolarHBondContact O-CB 3.29Å; E1079-K1082 PolarHBondContact O-N 3.03Å; R1080-K1082 VanDerWaalsContact C-N 3.26Å; R1080-K1082 PolarHBondContact O-N 3.41Å; K1082-H1084 VanDerWaalsContact C-N 3.3Å; K1082-H1084 PolarHBondContact O-N 3.25Å; K1082-G1085 PolarHBondContact O-N 3.13Å |
| 1083 | E | 82.9 | Confident | 73.3 | Confident | 134 Ų | 134 | 91.1 Ų | 91.1 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.9 | -38.6 | 173.5 | -71.7 | 177.8 | 174.7 | 0 | 0 | 112.5 | E1079 R1080 G1085 | E1079-E1083 WeakPolarHBondContact O-CG 3.32Å; E1079-E1083 PolarHBondContact O-N 3.38Å; R1080-E1083 WeakPolarHBondContact CD-OE2 3.43Å; R1080-E1083 IonicContact CZ-OE2 3.22Å; R1080-E1083 IonicContact NE-OE2 3.45Å; R1080-E1083 IonicContact NH1-OE2 3.28Å; R1080-E1083 PolarHBondContact NH1-OE2 3.37Å; R1080-E1083 WeakPolarHBondContact O-CB 3.33Å; R1080-E1083 PolarHBondContact O-N 2.92Å; E1083-G1085 PolarHBondContact O-N 3.39Å |
| 1084 | H | 81.2 | Confident | 72.3 | Confident | 46 Ų | 46 | 95.3 Ų | 95.3 | 21% | 0.213 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -7.9 | 176.1 | -74.7 | -51.1 | 0 | 0 | 0 | 114.3 | R1013 R1080 L1081 K1082 F1086 | R1013-H1084 PolarHBondContact NH2-O 3.48Å; R1080-H1084 VanDerWaalsContact CZ-CE1 3.47Å; R1080-H1084 VanDerWaalsContact CZ-NE2 3.34Å; R1080-H1084 PolarHBondContact NE-NE2 3.14Å; R1080-H1084 VanDerWaalsContact NE-NE2 3.14Å; R1080-H1084 PolarHBondContact NH2-CE1 3.38Å; R1080-H1084 VanDerWaalsContact NH2-CE1 3.31Å; R1080-H1084 PolarHBondContact NH2-NE2 2.81Å; R1080-H1084 PolarHBondContact O-CD2 3.25Å; R1080-H1084 VanDerWaalsContact O-CD2 3.26Å; R1080-H1084 PolarHBondContact O-N 2.97Å; L1081-H1084 PolarHBondContact O-N 3.23Å; K1082-H1084 VanDerWaalsContact C-N 3.3Å; K1082-H1084 PolarHBondContact O-N 3.25Å; H1084-F1086 HydrophobicContact CB-CD2 3.47Å; H1084-F1086 VanDerWaalsContact CB-CD2 3.47Å; H1084-F1086 HydrophobicContact CB-CE2 3.6Å |
| 1085 | G | 77.2 | Confident | 71.2 | Confident | 59 Ų | 59 | 100.3 Ų | 100.3 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 14.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1081 K1082 E1083 | L1081-G1085 PolarHBondContact O-N 3.22Å; K1082-G1085 PolarHBondContact O-N 3.13Å; E1083-G1085 PolarHBondContact O-N 3.39Å |
| 1086 | F | 74.2 | Confident | 69.9 | Low | 57 Ų | 57 | 100.3 Ų | 100.3 | 25% | 0.25 | 51% | 0.507 | C | S | . | . | trans | -81.7 | -27.3 | -178.9 | -67.9 | -61.4 | 0 | 0 | 0 | 113.6 | R1013 E1017 C1020 L1081 H1084 | R1013-F1086 HydrophobicContact CG-CE2 3.78Å; R1013-F1086 HydrophobicContact CG-CZ 3.62Å; E1017-F1086 HydrophobicContact CB-CD1 4.25Å; E1017-F1086 HydrophobicContact CB-CE1 3.69Å; E1017-F1086 HydrophobicContact CB-CZ 3.9Å; E1017-F1086 HydrophobicContact CG-CD1 4.23Å; E1017-F1086 HydrophobicContact CG-CE1 3.82Å; C1020-F1086 HydrophobicContact CB-CB 4.37Å; C1020-F1086 VanDerWaalsContact SG-CB 3.6Å; L1081-F1086 HydrophobicContact CD2-CD2 4.42Å; L1081-F1086 PolarHBondContact O-N 3.06Å; H1084-F1086 HydrophobicContact CB-CD2 3.47Å; H1084-F1086 VanDerWaalsContact CB-CD2 3.47Å; H1084-F1086 HydrophobicContact CB-CE2 3.6Å | ||
| 1087 | V | 64.1 | Low | 68.6 | Low | 39 Ų | 39 | 101.2 Ų | 101.2 | 24% | 0.236 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -100.2 | 110.2 | 177.6 | -174 | 0 | 0 | 0 | 0 | 108.1 | F1025 L1081 K1089 | F1025-V1087 HydrophobicContact CD2-CG2 4.5Å; F1025-V1087 HydrophobicContact CE2-CG1 4.37Å; F1025-V1087 HydrophobicContact CE2-CG2 3.51Å; F1025-V1087 HydrophobicContact CZ-CG1 3.93Å; F1025-V1087 HydrophobicContact CZ-CG2 3.93Å; L1081-V1087 HydrophobicContact CB-CG2 3.97Å; V1087-K1089 PolarHBondContact O-N 3.03Å |
| 1088 | Q | 57.9 | Low | 67.2 | Low | 179 Ų | 179 | 107.6 Ų | 107.6 | 84% | 0.836 | 55% | 0.547 | S | S | * | . | trans | -59.2 | 136.6 | 169.2 | -68.6 | -173.2 | 0.3 | 0 | 0 | 108.4 | T1090 | Q1088-T1090 PolarHBondContact O-N 3.22Š| ||
| 1089 | K | 45 | Very low | 65.6 | Low | 181 Ų | 181 | 112.7 Ų | 112.7 | 79% | 0.787 | 57% | 0.573 | S | S | * | * | trans | -50.6 | 109.3 | 174.3 | -74.9 | -179.1 | 178.6 | 178.6 | 0 | 108 | V1087 P1091 | V1087-K1089 PolarHBondContact O-N 3.03Å; K1089-P1091 VanDerWaalsContact O-CD 3.31Å; K1089-P1091 WeakPolarHBondContact O-CD 3.39Å | ||
| 1090 | T | 42.1 | Very low | 63.8 | Low | 127 Ų | 127 | 112.1 Ų | 112.1 | 78% | 0.779 | 57% | 0.574 | S | S | * | * | trans | -61 | 119.1 | 160.9 | 29.6 | 0 | 0 | 0 | 0 | 106.2 | Q1088 N1092 | Q1088-T1090 PolarHBondContact O-N 3.22Å; T1090-N1092 PolarHBondContact O-N 3.43Å | ||
| 1091 | P | 39.8 | Very low | 62.1 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | trans | -71.9 | 114.8 | -179.9 | 27 | -27.6 | 0 | 0 | 0 | 107.6 | K1089 | K1089-P1091 VanDerWaalsContact O-CD 3.31Å; K1089-P1091 WeakPolarHBondContact O-CD 3.39Å | ||
| 1092 | N | 37.4 | Very low | 59.9 | Low | 159 Ų | 159 | 124.4 Ų | 124.4 | 85% | 0.85 | 65% | 0.645 | S | S | * | * | trans | 42.3 | 94.6 | 163 | -60.5 | -10.8 | 0 | 0 | 0 | 115.8 | T1090 | T1090-N1092 PolarHBondContact O-N 3.43Š| ||
| 1093 | Q | 32.1 | Very low | 57.6 | Low | 269 Ų | 269 | 123.9 Ų | 123.9 | 100% | 1.257 | 65% | 0.652 | S | S | * | * | trans | -87.3 | 0 | 143 | -80.9 | -174.1 | -14.9 | 0 | 0 | 109 |
Retrieved 1,093 of 1,093 residues in 390.6 ms
(Link to these results)