| 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 | 51.3 | Low | 58.2 | Low | 241 Ų | 241 | 131.9 Ų | 131.9 | 100% | 1.187 | 62% | 0.622 | S | S | * | * | 0 | 153.1 | 0 | -72.5 | 178 | 173.6 | 0 | 0 | 109 | |||||
| 2 | L | 56.1 | Low | 58.2 | Low | 84 Ų | 84 | 129 Ų | 129 | 44% | 0.44 | 61% | 0.613 | S | S | . | * | trans | -70.4 | 143.4 | 171 | -139.4 | 74.2 | 0 | 0 | 0 | 109.7 | L6 Q7 V10 | L2-L6 HydrophobicContact CD1-CD2 4.19Å; L2-L6 HydrophobicContact CD2-CB 4.08Å; L2-L6 HydrophobicContact CD2-CD2 4.03Å; L2-L6 HydrophobicContact CD2-CG 4.2Å; L2-L6 HydrophobicContact CG-CB 4.17Å; L2-L6 HydrophobicContact CG-CD2 3.89Å; L2-L6 HydrophobicContact CG-CG 4.44Å; L2-Q7 HydrophobicContact CB-CG 4.24Å; L2-Q7 HydrophobicContact CD2-CG 4.43Å; L2-V10 HydrophobicContact CD2-CG2 4.31Å | ||
| 3 | P | 66.9 | Low | 58.4 | Low | 87 Ų | 87 | 127.2 Ų | 127.2 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | trans | -56.7 | 141.5 | 173.3 | -25.4 | 34.9 | 0 | 0 | 0 | 111.3 | D5 L6 Q7 | P3-D5 PolarHBondContact O-N 3.23Å; P3-D5 VanDerWaalsContact O-N 3.12Å; P3-L6 HydrophobicContact CB-CB 4.28Å; P3-L6 WeakPolarHBondContact O-CA 3.4Å; P3-L6 WeakPolarHBondContact O-CB 3.38Å; P3-L6 PolarHBondContact O-N 2.98Å; P3-Q7 PolarHBondContact O-N 3.13Å | ||
| 4 | R | 65.9 | Low | 58.5 | Low | 205 Ų | 205 | 121.8 Ų | 121.8 | 77% | 0.774 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -54.3 | -37.4 | -173.7 | -74 | -176.4 | 176.1 | 179.3 | -0.6 | 112.7 | Q7 K8 | R4-Q7 VanDerWaalsContact O-CB 3.29Å; R4-Q7 WeakPolarHBondContact O-CB 3.39Å; R4-Q7 PolarHBondContact O-N 3.04Å; R4-K8 WeakPolarHBondContact O-CG 3.44Å; R4-K8 PolarHBondContact O-N 3.47Å |
| 5 | D | 64.9 | Low | 60 | Low | 96 Ų | 96 | 116.5 Ų | 116.5 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -79.8 | -26.3 | -179.9 | -52.6 | -64.5 | 0 | 0 | 0 | 113.2 | P3 K8 R9 | P3-D5 PolarHBondContact O-N 3.23Å; P3-D5 VanDerWaalsContact O-N 3.12Å; D5-K8 PolarHBondContact O-N 3.27Å; D5-K8 IonicContact OD1-NZ 3.55Å; D5-K8 PolarHBondContact OD1-NZ 3.45Å; D5-R9 WeakPolarHBondContact O-CB 3.45Å; D5-R9 WeakPolarHBondContact O-CG 3.26Å; D5-R9 PolarHBondContact O-N 3.27Å |
| 6 | L | 59.6 | Low | 61.6 | Low | 88 Ų | 88 | 113.1 Ų | 113.1 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -37.3 | 166.8 | -147.7 | 74.7 | 0 | 0 | 0 | 110.4 | L2 P3 R9 V10 | L2-L6 HydrophobicContact CD1-CD2 4.19Å; L2-L6 HydrophobicContact CD2-CB 4.08Å; L2-L6 HydrophobicContact CD2-CD2 4.03Å; L2-L6 HydrophobicContact CD2-CG 4.2Å; L2-L6 HydrophobicContact CG-CB 4.17Å; L2-L6 HydrophobicContact CG-CD2 3.89Å; L2-L6 HydrophobicContact CG-CG 4.44Å; P3-L6 HydrophobicContact CB-CB 4.28Å; P3-L6 WeakPolarHBondContact O-CA 3.4Å; P3-L6 WeakPolarHBondContact O-CB 3.38Å; P3-L6 PolarHBondContact O-N 2.98Å; L6-R9 PolarHBondContact O-N 3.11Å; L6-V10 WeakPolarHBondContact O-CB 3.29Å; L6-V10 VanDerWaalsContact O-CG2 3.26Å; L6-V10 WeakPolarHBondContact O-CG2 3.4Å; L6-V10 PolarHBondContact O-N 3.44Å |
| 7 | Q | 58.3 | Low | 63 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 51% | 0.514 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 170.7 | -114.5 | 178.1 | 2.1 | 0 | 0 | 112 | L2 P3 R4 K11 | L2-Q7 HydrophobicContact CB-CG 4.24Å; L2-Q7 HydrophobicContact CD2-CG 4.43Å; P3-Q7 PolarHBondContact O-N 3.13Å; R4-Q7 VanDerWaalsContact O-CB 3.29Å; R4-Q7 WeakPolarHBondContact O-CB 3.39Å; R4-Q7 PolarHBondContact O-N 3.04Å; Q7-K11 VanDerWaalsContact O-CB 3.25Å; Q7-K11 WeakPolarHBondContact O-CB 3.05Å; Q7-K11 PolarHBondContact O-N 2.91Å |
| 8 | K | 56.8 | Low | 64.4 | Low | 124 Ų | 124 | 112.3 Ų | 112.3 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.7 | -48.2 | 173.2 | -70.9 | 173.3 | -169.9 | 159.2 | 0 | 111.6 | R4 D5 K11 N12 | R4-K8 WeakPolarHBondContact O-CG 3.44Å; R4-K8 PolarHBondContact O-N 3.47Å; D5-K8 PolarHBondContact O-N 3.27Å; D5-K8 IonicContact OD1-NZ 3.55Å; D5-K8 PolarHBondContact OD1-NZ 3.45Å; K8-K11 PolarHBondContact O-N 3.43Å; K8-N12 WeakPolarHBondContact O-CB 3.47Å; K8-N12 VanDerWaalsContact O-CG 3.32Å; K8-N12 PolarHBondContact O-N 3.36Å; K8-N12 PolarHBondContact O-OD1 3.39Å |
| 9 | R | 52.7 | Low | 65.8 | Low | 170 Ų | 170 | 107.4 Ų | 107.4 | 64% | 0.642 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59 | -49.6 | 177.4 | -75.5 | -179.6 | -173.6 | -117.4 | 4.8 | 111.2 | D5 L6 K11 N12 I13 | D5-R9 WeakPolarHBondContact O-CB 3.45Å; D5-R9 WeakPolarHBondContact O-CG 3.26Å; D5-R9 PolarHBondContact O-N 3.27Å; L6-R9 PolarHBondContact O-N 3.11Å; R9-K11 PolarHBondContact O-N 3.2Å; R9-N12 CarbonylContact O-C 3.55Å; R9-N12 PolarHBondContact O-N 3.21Å; R9-N12 VanDerWaalsContact O-N 3.12Å; R9-I13 HydrophobicContact CB-CD1 4.4Å; R9-I13 WeakPolarHBondContact O-CB 3.31Å; R9-I13 WeakPolarHBondContact O-CD1 3.25Å; R9-I13 WeakPolarHBondContact O-CG1 3.41Å; R9-I13 PolarHBondContact O-N 2.85Å |
| 10 | V | 51.3 | Low | 67 | Low | 79 Ų | 79 | 105.5 Ų | 105.5 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 176.8 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | L2 L6 N12 I13 A14 | L2-V10 HydrophobicContact CD2-CG2 4.31Å; L6-V10 WeakPolarHBondContact O-CB 3.29Å; L6-V10 VanDerWaalsContact O-CG2 3.26Å; L6-V10 WeakPolarHBondContact O-CG2 3.4Å; L6-V10 PolarHBondContact O-N 3.44Å; V10-N12 PolarHBondContact O-N 3.43Å; V10-I13 PolarHBondContact O-N 2.94Å; V10-A14 WeakPolarHBondContact O-CB 3.27Å; V10-A14 PolarHBondContact O-N 2.97Å |
| 11 | K | 56.6 | Low | 68.3 | Low | 167 Ų | 167 | 104.2 Ų | 104.2 | 73% | 0.726 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -27.3 | 177 | -166.9 | 175.2 | -178 | -177.9 | 0 | 112.9 | Q7 K8 R9 P15 | Q7-K11 VanDerWaalsContact O-CB 3.25Å; Q7-K11 WeakPolarHBondContact O-CB 3.05Å; Q7-K11 PolarHBondContact O-N 2.91Å; K8-K11 PolarHBondContact O-N 3.43Å; R9-K11 PolarHBondContact O-N 3.2Å; K11-P15 WeakPolarHBondContact O-CD 3.46Å |
| 12 | N | 57.9 | Low | 70.2 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -89.3 | -25.6 | 175.3 | -68.3 | 1.5 | 0 | 0 | 0 | 113.5 | K8 R9 V10 P15 | K8-N12 WeakPolarHBondContact O-CB 3.47Å; K8-N12 VanDerWaalsContact O-CG 3.32Å; K8-N12 PolarHBondContact O-N 3.36Å; K8-N12 PolarHBondContact O-OD1 3.39Å; R9-N12 CarbonylContact O-C 3.55Å; R9-N12 PolarHBondContact O-N 3.21Å; R9-N12 VanDerWaalsContact O-N 3.12Å; V10-N12 PolarHBondContact O-N 3.43Å; N12-P15 WeakPolarHBondContact O-CD 3.39Å; N12-P15 WeakPolarHBondContact O-CG 3.38Å |
| 13 | I | 60.9 | Low | 72 | Confident | 105 Ų | 105 | 89.1 Ų | 89.1 | 54% | 0.538 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -75 | -42.6 | 174.7 | -70.7 | 161.3 | 0 | 0 | 0 | 110.8 | R9 V10 K16 A17 | R9-I13 HydrophobicContact CB-CD1 4.4Å; R9-I13 WeakPolarHBondContact O-CB 3.31Å; R9-I13 WeakPolarHBondContact O-CD1 3.25Å; R9-I13 WeakPolarHBondContact O-CG1 3.41Å; R9-I13 PolarHBondContact O-N 2.85Å; V10-I13 PolarHBondContact O-N 2.94Å; I13-K16 PolarHBondContact O-N 3.28Å; I13-K16 VanDerWaalsContact O-N 3.1Å; I13-A17 PolarHBondContact O-N 3.3Å |
| 14 | A | 60.1 | Low | 73.3 | Confident | 52 Ų | 52 | 87.8 Ų | 87.8 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -51.1 | -46.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | V10 R18 | V10-A14 WeakPolarHBondContact O-CB 3.27Å; V10-A14 PolarHBondContact O-N 2.97Å; A14-R18 WeakPolarHBondContact O-CB 3.2Å; A14-R18 PolarHBondContact O-N 3.03Å; A14-R18 VanDerWaalsContact O-N 3.11Å |
| 15 | P | 81.2 | Confident | 74.7 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 28% | 0.279 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 175.2 | 26.4 | -34.8 | 0 | 0 | 0 | 112.9 | K11 N12 R18 I19 L140 | K11-P15 WeakPolarHBondContact O-CD 3.46Å; N12-P15 WeakPolarHBondContact O-CD 3.39Å; N12-P15 WeakPolarHBondContact O-CG 3.38Å; P15-R18 PolarHBondContact O-N 3.37Å; P15-I19 VanDerWaalsContact O-CG1 3.31Å; P15-I19 WeakPolarHBondContact O-CG1 3.24Å; P15-I19 PolarHBondContact O-N 3.49Å; P15-L140 HydrophobicContact CB-CD1 4Å; P15-L140 HydrophobicContact CG-CD1 4.22Å; P15-L140 HydrophobicContact CG-CD2 4.42Å |
| 16 | K | 84.8 | Confident | 76.1 | Confident | 62 Ų | 62 | 74 Ų | 74 | 27% | 0.27 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 176.2 | -70 | -168.7 | -174.1 | -162.5 | 0 | 111.5 | I13 R18 I19 I20 F137 L140 S141 | I13-K16 PolarHBondContact O-N 3.28Å; I13-K16 VanDerWaalsContact O-N 3.1Å; K16-R18 VanDerWaalsContact C-N 3.29Å; K16-R18 PolarHBondContact O-N 3.27Å; K16-I19 PolarHBondContact O-N 2.89Å; K16-I20 WeakPolarHBondContact O-CG1 3.15Å; K16-I20 PolarHBondContact O-N 3.07Å; K16-F137 HydrophobicContact CB-CE2 4.14Å; K16-F137 HydrophobicContact CD-CE2 4.22Å; K16-F137 HydrophobicContact CG-CD2 4.48Å; K16-F137 HydrophobicContact CG-CE2 4.17Å; K16-L140 VanDerWaalsContact CE-C 3.47Å; K16-L140 WeakPolarHBondContact CE-O 3.45Å; K16-L140 HydrophobicContact CG-CB 4.06Å; K16-L140 HydrophobicContact CG-CD1 4.27Å; K16-L140 PolarHBondContact NZ-O 3.32Å; K16-S141 WeakPolarHBondContact CE-OG 3.39Å; K16-S141 PolarHBondContact NZ-OG 3.09Å |
| 17 | A | 86 | Confident | 77.8 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 45% | 0.446 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I13 I20 K21 | I13-A17 PolarHBondContact O-N 3.3Å; A17-I20 PolarHBondContact O-N 3.48Å; A17-K21 WeakPolarHBondContact O-CB 3.37Å; A17-K21 PolarHBondContact O-N 3.29Å |
| 18 | R | 88.8 | Confident | 79.5 | Confident | 158 Ų | 158 | 66.2 Ų | 66.2 | 60% | 0.596 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 175.8 | -168.9 | -178.8 | -62 | -173.5 | -0.7 | 112.8 | A14 P15 K16 N22 D245 | A14-R18 WeakPolarHBondContact O-CB 3.2Å; A14-R18 PolarHBondContact O-N 3.03Å; A14-R18 VanDerWaalsContact O-N 3.11Å; P15-R18 PolarHBondContact O-N 3.37Å; K16-R18 VanDerWaalsContact C-N 3.29Å; K16-R18 PolarHBondContact O-N 3.27Å; R18-N22 PolarHBondContact O-N 2.89Å; R18-N22 PolarHBondContact O-ND2 3.21Å; R18-D245 VanDerWaalsContact CD-OD2 3.29Å; R18-D245 WeakPolarHBondContact CD-OD2 3.22Å; R18-D245 WeakPolarHBondContact CG-OD2 3.41Å |
| 19 | I | 89.7 | Confident | 81.3 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -48.8 | 175.6 | -66.7 | 162.2 | 0 | 0 | 0 | 110.1 | P15 K16 K21 N22 V23 R136 F137 L140 F152 | P15-I19 VanDerWaalsContact O-CG1 3.31Å; P15-I19 WeakPolarHBondContact O-CG1 3.24Å; P15-I19 PolarHBondContact O-N 3.49Å; K16-I19 PolarHBondContact O-N 2.89Å; I19-K21 PolarHBondContact O-N 2.96Å; I19-N22 PolarHBondContact O-N 3.04Å; I19-N22 VanDerWaalsContact O-N 3.16Å; I19-V23 PolarHBondContact O-N 3.03Å; I19-R136 HydrophobicContact CD1-CB 3.87Å; I19-F137 HydrophobicContact CG2-CB 4.34Å; I19-L140 HydrophobicContact CD1-CD1 3.7Å; I19-F152 HydrophobicContact CG2-CE2 3.72Å; I19-F152 HydrophobicContact CG2-CZ 3.9Å |
| 20 | I | 91 | Very high | 83.2 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 35% | 0.354 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 178.3 | -64.8 | 167.9 | 0 | 0 | 0 | 110.9 | K16 A17 N22 V23 V24 F137 | K16-I20 WeakPolarHBondContact O-CG1 3.15Å; K16-I20 PolarHBondContact O-N 3.07Å; A17-I20 PolarHBondContact O-N 3.48Å; I20-N22 VanDerWaalsContact C-N 3.3Å; I20-N22 PolarHBondContact O-N 3.47Å; I20-V23 PolarHBondContact O-N 3.03Å; I20-V24 HydrophobicContact CG2-CG2 4.34Å; I20-V24 WeakPolarHBondContact O-CG2 3.47Å; I20-V24 PolarHBondContact O-N 2.96Å; I20-F137 HydrophobicContact CD1-CE2 3.85Å; I20-F137 HydrophobicContact CD1-CZ 4.39Å; I20-F137 HydrophobicContact CG1-CE2 4.12Å |
| 21 | K | 93.5 | Very high | 85.3 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 34% | 0.339 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -50 | -50.6 | 172.6 | -178.7 | -148.6 | 62 | 151.2 | 0 | 110.9 | A17 I19 V23 V24 V25 L243 D245 | A17-K21 WeakPolarHBondContact O-CB 3.37Å; A17-K21 PolarHBondContact O-N 3.29Å; I19-K21 PolarHBondContact O-N 2.96Å; K21-V23 PolarHBondContact O-N 3.17Å; K21-V24 PolarHBondContact O-N 3.16Å; K21-V25 HydrophobicContact CG-CG2 4.29Å; K21-V25 WeakPolarHBondContact O-CB 3.29Å; K21-V25 WeakPolarHBondContact O-CG2 3.44Å; K21-V25 PolarHBondContact O-N 2.96Å; K21-L243 PolarHBondContact NZ-O 3.49Å; K21-D245 IonicContact NZ-OD1 2.75Å; K21-D245 PolarHBondContact NZ-OD1 3.13Å; K21-D245 IonicContact NZ-OD2 2.91Å; K21-D245 PolarHBondContact NZ-OD2 2.87Å |
| 22 | N | 92.3 | Very high | 87.1 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -36.8 | -177.2 | -72.7 | -38.6 | 0 | 0 | 0 | 113.2 | R18 I19 I20 L26 Y129 L244 D245 | R18-N22 PolarHBondContact O-N 2.89Å; R18-N22 PolarHBondContact O-ND2 3.21Å; I19-N22 PolarHBondContact O-N 3.04Å; I19-N22 VanDerWaalsContact O-N 3.16Å; I20-N22 VanDerWaalsContact C-N 3.3Å; I20-N22 PolarHBondContact O-N 3.47Å; N22-L26 VanDerWaalsContact O-CB 3.32Å; N22-L26 WeakPolarHBondContact O-CB 3.37Å; N22-L26 PolarHBondContact O-N 2.96Å; N22-Y129 HydrophobicContact CB-CE1 4.05Å; N22-Y129 WeakPolarHBondContact CB-OH 2.98Å; N22-L244 HydrophobicContact CB-CD1 4.16Å; N22-L244 WeakPolarHBondContact O-CD1 3.46Å; N22-D245 PolarHBondContact ND2-OD2 2.96Å; N22-D245 PolarHBondContact OD1-N 3.03Å; N22-D245 PolarHBondContact OD1-OD2 3.07Å |
| 23 | V | 93.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -43.2 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | I19 I20 K21 L26 G27 L130 F152 I155 | I19-V23 PolarHBondContact O-N 3.03Å; I20-V23 PolarHBondContact O-N 3.03Å; K21-V23 PolarHBondContact O-N 3.17Å; V23-L26 PolarHBondContact O-N 3.32Å; V23-G27 PolarHBondContact O-N 3.14Å; V23-L130 HydrophobicContact CG1-CD1 3.84Å; V23-L130 HydrophobicContact CG2-CD1 4.26Å; V23-F152 HydrophobicContact CG1-CB 4.18Å; V23-F152 HydrophobicContact CG1-CD1 4.48Å; V23-F152 HydrophobicContact CG1-CG 4.22Å; V23-F152 HydrophobicContact CG2-CD2 3.72Å; V23-F152 HydrophobicContact CG2-CE2 3.9Å; V23-F152 HydrophobicContact CG2-CG 4.09Å; V23-F152 HydrophobicContact CG2-CZ 4.42Å; V23-I155 HydrophobicContact CG1-CB 4.49Å; V23-I155 HydrophobicContact CG1-CG2 4.21Å |
| 24 | V | 94.8 | Very high | 90.3 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 35% | 0.352 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 176 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | I20 K21 L26 G27 C28 I155 L159 | I20-V24 HydrophobicContact CG2-CG2 4.34Å; I20-V24 WeakPolarHBondContact O-CG2 3.47Å; I20-V24 PolarHBondContact O-N 2.96Å; K21-V24 PolarHBondContact O-N 3.16Å; V24-L26 PolarHBondContact O-N 3.3Å; V24-G27 PolarHBondContact O-N 3.49Å; V24-C28 WeakPolarHBondContact O-CB 3.48Å; V24-C28 PolarHBondContact O-N 2.87Å; V24-C28 PolarHBondContact O-SG 2.75Å; V24-C28 VanDerWaalsContact O-SG 3.33Å; V24-I155 HydrophobicContact CG2-CG2 4.15Å; V24-L159 HydrophobicContact CG1-CD1 4.35Å |
| 25 | V | 94.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 176.1 | 167 | 0 | 0 | 0 | 0 | 111.8 | K21 C28 S29 L243 L244 | K21-V25 HydrophobicContact CG-CG2 4.29Å; K21-V25 WeakPolarHBondContact O-CB 3.29Å; K21-V25 WeakPolarHBondContact O-CG2 3.44Å; K21-V25 PolarHBondContact O-N 2.96Å; V25-C28 PolarHBondContact O-N 3.48Å; V25-S29 WeakPolarHBondContact O-CB 3.44Å; V25-S29 PolarHBondContact O-N 3.16Å; V25-L243 HydrophobicContact CB-CB 4.37Å; V25-L243 HydrophobicContact CG1-CB 3.69Å; V25-L243 HydrophobicContact CG2-CB 3.68Å; V25-L243 HydrophobicContact CG2-CD1 4.22Å; V25-L244 HydrophobicContact CB-CD1 4.4Å; V25-L244 HydrophobicContact CG1-CB 3.93Å; V25-L244 HydrophobicContact CG1-CD1 4.08Å |
| 26 | L | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 175.2 | 178.8 | 60.3 | 0 | 0 | 0 | 111.3 | N22 V23 V24 S29 S30 L86 L126 Y129 L244 | N22-L26 VanDerWaalsContact O-CB 3.32Å; N22-L26 WeakPolarHBondContact O-CB 3.37Å; N22-L26 PolarHBondContact O-N 2.96Å; V23-L26 PolarHBondContact O-N 3.32Å; V24-L26 PolarHBondContact O-N 3.3Å; L26-S29 PolarHBondContact O-N 3.25Å; L26-S30 WeakPolarHBondContact O-CB 3.25Å; L26-S30 PolarHBondContact O-N 3.28Å; L26-S30 PolarHBondContact O-OG 2.91Å; L26-L86 HydrophobicContact CD1-CD1 3.6Å; L26-L86 HydrophobicContact CD1-CD2 4.33Å; L26-L126 HydrophobicContact CD1-CD1 4.3Å; L26-L126 HydrophobicContact CD2-CG 4.36Å; L26-Y129 HydrophobicContact CD2-CD1 3.78Å; L26-Y129 HydrophobicContact CD2-CG 4.26Å; L26-L244 HydrophobicContact CB-CD1 4.15Å |
| 27 | G | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V23 V24 S30 M31 | V23-G27 PolarHBondContact O-N 3.14Å; V24-G27 PolarHBondContact O-N 3.49Å; G27-S30 PolarHBondContact O-N 3.38Å; G27-M31 WeakPolarHBondContact O-CB 3.45Å; G27-M31 PolarHBondContact O-N 2.75Å |
| 28 | C | 95.3 | Very high | 92.6 | Very high | 33 Ų | 33 | 25.9 Ų | 25.9 | 22% | 0.223 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.5 | -35 | 177 | -68.7 | 0 | 0 | 0 | 0 | 113 | V24 V25 M31 F32 L239 | V24-C28 WeakPolarHBondContact O-CB 3.48Å; V24-C28 PolarHBondContact O-N 2.87Å; V24-C28 PolarHBondContact O-SG 2.75Å; V24-C28 VanDerWaalsContact O-SG 3.33Å; V25-C28 PolarHBondContact O-N 3.48Å; C28-M31 WeakPolarHBondContact O-CB 3.27Å; C28-F32 WeakPolarHBondContact O-CD2 3.48Å; C28-F32 PolarHBondContact O-N 2.74Å; C28-L239 HydrophobicContact CB-CD1 4.43Å |
| 29 | S | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | V25 L26 M31 F32 Y33 Y90 S236 T240 | V25-S29 WeakPolarHBondContact O-CB 3.44Å; V25-S29 PolarHBondContact O-N 3.16Å; L26-S29 PolarHBondContact O-N 3.25Å; S29-M31 VanDerWaalsContact C-N 3.31Å; S29-M31 PolarHBondContact O-N 2.98Å; S29-F32 PolarHBondContact O-N 3.45Å; S29-Y33 PolarHBondContact O-N 3.45Å; S29-Y90 WeakPolarHBondContact OG-CE2 3.37Å; S29-Y90 PolarHBondContact OG-OH 2.87Å; S29-S236 WeakPolarHBondContact O-CB 3.41Å; S29-S236 PolarHBondContact O-OG 2.65Å; S29-S236 PolarHBondContact OG-O 3.33Å; S29-S236 PolarHBondContact OG-OG 3.16Å; S29-T240 WeakPolarHBondContact CB-OG1 3.42Å; S29-T240 PolarHBondContact OG-OG1 3.08Å |
| 30 | S | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.6 | -30.1 | 177.1 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | L26 G27 Y33 C34 Y122 F156 | L26-S30 WeakPolarHBondContact O-CB 3.25Å; L26-S30 PolarHBondContact O-N 3.28Å; L26-S30 PolarHBondContact O-OG 2.91Å; G27-S30 PolarHBondContact O-N 3.38Å; S30-Y33 PolarHBondContact O-N 3.38Å; S30-C34 WeakPolarHBondContact O-CB 3.45Å; S30-C34 PolarHBondContact O-N 2.79Å; S30-C34 PolarHBondContact O-SG 2.89Å; S30-C34 VanDerWaalsContact O-SG 3.38Å; S30-Y122 PolarHBondContact OG-OH 3.07Å; S30-F156 WeakPolarHBondContact OG-CE2 3.05Å |
| 31 | M | 95.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 14.9 Ų | 14.9 | 15% | 0.148 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -54.7 | -53.4 | 173 | 179.8 | -177.3 | 77.9 | 0 | 0 | 111.4 | G27 C28 S29 G35 L159 C162 G163 | G27-M31 WeakPolarHBondContact O-CB 3.45Å; G27-M31 PolarHBondContact O-N 2.75Å; C28-M31 WeakPolarHBondContact O-CB 3.27Å; S29-M31 VanDerWaalsContact C-N 3.31Å; S29-M31 PolarHBondContact O-N 2.98Å; M31-G35 PolarHBondContact O-N 3.4Å; M31-L159 WeakPolarHBondContact CB-O 3.28Å; M31-L159 VanDerWaalsContact CG-O 3.22Å; M31-L159 WeakPolarHBondContact CG-O 3.17Å; M31-C162 HydrophobicContact SD-CB 4.48Å; M31-G163 WeakPolarHBondContact O-CA 3.23Å |
| 32 | F | 94.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 11.2 Ų | 11.2 | 17% | 0.171 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.1 | -40.3 | 179.9 | -67.9 | -67.9 | 0 | 0 | 0 | 112.6 | C28 S29 G35 C36 W232 L235 L239 | C28-F32 WeakPolarHBondContact O-CD2 3.48Å; C28-F32 PolarHBondContact O-N 2.74Å; S29-F32 PolarHBondContact O-N 3.45Å; F32-G35 PolarHBondContact O-N 3.33Å; F32-C36 PolarHBondContact O-N 3.4Å; F32-C36 PolarHBondContact O-SG 3.17Å; F32-W232 HydrophobicContact CB-CB 4.42Å; F32-W232 WeakPolarHBondContact CB-O 3.45Å; F32-W232 HydrophobicContact CD1-CB 4.38Å; F32-W232 HydrophobicContact CD1-CD2 4.02Å; F32-W232 AromaticContact CD1-CG 3.97Å; F32-W232 HydrophobicContact CD1-CG 3.97Å; F32-L235 HydrophobicContact CD1-CD2 4.23Å; F32-L235 HydrophobicContact CD2-CD2 4.09Å; F32-L235 HydrophobicContact CD2-CG 4.04Å; F32-L235 HydrophobicContact CE1-CD2 3.75Å; F32-L235 HydrophobicContact CE2-CD2 3.6Å; F32-L235 HydrophobicContact CE2-CG 3.89Å; F32-L235 HydrophobicContact CG-CD2 4.4Å; F32-L235 HydrophobicContact CZ-CD2 3.41Å; F32-L235 VanDerWaalsContact CZ-CD2 3.41Å; F32-L235 HydrophobicContact CZ-CG 4.22Å; F32-L239 HydrophobicContact CD2-CD1 3.75Å; F32-L239 HydrophobicContact CE2-CD1 3.67Å |
| 33 | Y | 92.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.008 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.2 | -52.8 | 175.9 | 169.1 | -111.3 | 0 | 0 | 0 | 111.6 | S29 S30 G35 C36 I37 T89 Y90 F93 Y122 | S29-Y33 PolarHBondContact O-N 3.45Å; S30-Y33 PolarHBondContact O-N 3.38Å; Y33-G35 VanDerWaalsContact C-N 3.29Å; Y33-G35 PolarHBondContact O-N 3.13Å; Y33-C36 PolarHBondContact O-N 3.46Å; Y33-I37 HydrophobicContact CE1-CG2 4.32Å; Y33-I37 PolarHBondContact O-N 2.96Å; Y33-I37 VanDerWaalsContact O-N 3.07Å; Y33-T89 HydrophobicContact CE2-CG2 4.46Å; Y33-Y90 HydrophobicContact CD1-CD1 4.31Å; Y33-Y90 AromaticContact CD1-CE1 3.88Å; Y33-Y90 HydrophobicContact CD1-CE1 3.88Å; Y33-Y90 AromaticContact CD2-CD1 3.57Å; Y33-Y90 HydrophobicContact CD2-CD1 3.57Å; Y33-Y90 AromaticContact CD2-CE1 3.95Å; Y33-Y90 HydrophobicContact CD2-CE1 3.95Å; Y33-Y90 HydrophobicContact CE2-CD1 4.12Å; Y33-Y90 AromaticContact CG-CD1 3.68Å; Y33-Y90 HydrophobicContact CG-CD1 3.68Å; Y33-Y90 AromaticContact CG-CE1 3.54Å; Y33-Y90 HydrophobicContact CG-CE1 3.54Å; Y33-F93 HydrophobicContact CD2-CD1 4.3Å; Y33-F93 HydrophobicContact CD2-CG 4.44Å; Y33-F93 HydrophobicContact CE2-CB 4.02Å; Y33-F93 HydrophobicContact CE2-CD1 4.16Å; Y33-F93 HydrophobicContact CE2-CD2 4.3Å; Y33-F93 AromaticContact CE2-CG 3.87Å; Y33-F93 HydrophobicContact CE2-CG 3.87Å; Y33-Y122 HydrophobicContact CD1-CE1 4.39Å; Y33-Y122 HydrophobicContact CD1-CE2 4.23Å; Y33-Y122 AromaticContact CD1-CZ 3.84Å; Y33-Y122 HydrophobicContact CE1-CD1 4.47Å; Y33-Y122 AromaticContact CE1-CE1 3.93Å; Y33-Y122 HydrophobicContact CE1-CE1 3.93Å; Y33-Y122 HydrophobicContact CE1-CE2 4.29Å; Y33-Y122 AromaticContact CE1-CZ 3.83Å |
| 34 | C | 92.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 10.8 Ų | 10.8 | 3% | 0.027 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.5 | -32 | 178.9 | -69.9 | 0 | 0 | 0 | 0 | 112.9 | S30 C36 M38 T160 | S30-C34 WeakPolarHBondContact O-CB 3.45Å; S30-C34 PolarHBondContact O-N 2.79Å; S30-C34 PolarHBondContact O-SG 2.89Å; S30-C34 VanDerWaalsContact O-SG 3.38Å; C34-C36 PolarHBondContact O-N 3.26Å; C34-M38 WeakPolarHBondContact O-CB 3.47Å; C34-M38 VanDerWaalsContact O-CG 3.3Å; C34-M38 WeakPolarHBondContact O-CG 3.33Å; C34-M38 PolarHBondContact O-N 2.83Å; C34-M38 VanDerWaalsContact O-N 3.1Å; C34-T160 HydrophobicContact CB-CG2 3.93Å |
| 35 | G | 92 | Very high | 91 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.4 | -20.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M31 F32 Y33 P39 G163 G167 | M31-G35 PolarHBondContact O-N 3.4Å; F32-G35 PolarHBondContact O-N 3.33Å; Y33-G35 VanDerWaalsContact C-N 3.29Å; Y33-G35 PolarHBondContact O-N 3.13Å; G35-P39 WeakPolarHBondContact O-CD 3.25Å; G35-P39 VanDerWaalsContact O-CG 3.3Å; G35-P39 WeakPolarHBondContact O-CG 3.44Å; G35-G163 WeakPolarHBondContact CA-O 3.47Å; G35-G167 VanDerWaalsContact O-CA 3.23Å; G35-G167 WeakPolarHBondContact O-CA 3.48Å |
| 36 | C | 90.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.007 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -91.6 | -48.5 | 172.2 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | F32 Y33 C34 L40 F93 Y229 W232 I233 | F32-C36 PolarHBondContact O-N 3.4Å; F32-C36 PolarHBondContact O-SG 3.17Å; Y33-C36 PolarHBondContact O-N 3.46Å; C34-C36 PolarHBondContact O-N 3.26Å; C36-L40 VanDerWaalsContact O-CB 3.23Å; C36-L40 WeakPolarHBondContact O-CB 3.29Å; C36-L40 PolarHBondContact O-N 2.89Å; C36-F93 HydrophobicContact CB-CE1 3.58Å; C36-F93 HydrophobicContact CB-CZ 4.26Å; C36-Y229 HydrophobicContact CB-CD1 3.88Å; C36-Y229 HydrophobicContact CB-CE1 4.48Å; C36-W232 VanDerWaalsContact SG-CB 3.52Å; C36-I233 HydrophobicContact CB-CD1 4.38Å; C36-I233 HydrophobicContact CB-CG1 4.19Å |
| 37 | I | 88.5 | Confident | 89.4 | Confident | 13 Ų | 13 | 7.6 Ų | 7.6 | 7% | 0.067 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -70.3 | -33.5 | -173.9 | -170.5 | 165.1 | 0 | 0 | 0 | 113.5 | Y33 R41 F93 | Y33-I37 HydrophobicContact CE1-CG2 4.32Å; Y33-I37 PolarHBondContact O-N 2.96Å; Y33-I37 VanDerWaalsContact O-N 3.07Å; I37-R41 WeakPolarHBondContact O-CB 3.37Å; I37-R41 PolarHBondContact O-N 3.07Å; I37-F93 HydrophobicContact CB-CD2 4.42Å; I37-F93 HydrophobicContact CB-CE1 4.33Å; I37-F93 HydrophobicContact CB-CE2 3.66Å; I37-F93 HydrophobicContact CB-CZ 3.62Å; I37-F93 HydrophobicContact CD1-CD2 4.06Å; I37-F93 HydrophobicContact CD1-CE2 3.81Å; I37-F93 HydrophobicContact CG1-CD2 4.36Å; I37-F93 HydrophobicContact CG1-CE2 3.62Å; I37-F93 HydrophobicContact CG1-CZ 4.07Å |
| 38 | M | 90.9 | Very high | 88 | Confident | 17 Ų | 17 | 11 Ų | 11 | 8% | 0.084 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -70.6 | -47.1 | -177 | -64.5 | -62.9 | 168.5 | 0 | 0 | 113 | C34 R41 T42 W164 F168 | C34-M38 WeakPolarHBondContact O-CB 3.47Å; C34-M38 VanDerWaalsContact O-CG 3.3Å; C34-M38 WeakPolarHBondContact O-CG 3.33Å; C34-M38 PolarHBondContact O-N 2.83Å; C34-M38 VanDerWaalsContact O-N 3.1Å; M38-R41 VanDerWaalsContact SD-CZ 3.57Å; M38-R41 PolarHBondContact SD-NH2 3.19Å; M38-R41 VanDerWaalsContact SD-NH2 3.37Å; M38-T42 PolarHBondContact O-N 2.87Å; M38-T42 PolarHBondContact O-OG1 3.01Å; M38-W164 HydrophobicContact CB-CG 4.42Å; M38-W164 HydrophobicContact CE-CZ2 3.74Å; M38-W164 HydrophobicContact CG-CD2 4.01Å; M38-W164 HydrophobicContact CG-CG 4.05Å; M38-W164 HydrophobicContact CG-CZ2 4.32Å; M38-W164 HydrophobicContact SD-CZ2 4.17Å; M38-F168 HydrophobicContact CB-CE2 4.18Å; M38-F168 HydrophobicContact CB-CZ 4.17Å |
| 39 | P | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 170.9 | -22 | 34 | 0 | 0 | 0 | 112.4 | G35 R41 T42 Y43 F168 S171 | G35-P39 WeakPolarHBondContact O-CD 3.25Å; G35-P39 VanDerWaalsContact O-CG 3.3Å; G35-P39 WeakPolarHBondContact O-CG 3.44Å; P39-R41 VanDerWaalsContact C-N 3.32Å; P39-R41 PolarHBondContact O-N 2.99Å; P39-T42 PolarHBondContact O-N 3Å; P39-Y43 HydrophobicContact CB-CD2 4.21Å; P39-Y43 HydrophobicContact CB-CE2 3.99Å; P39-Y43 WeakPolarHBondContact O-CD2 3.43Å; P39-Y43 PolarHBondContact O-N 3.21Å; P39-F168 HydrophobicContact CB-CD1 4.04Å; P39-F168 HydrophobicContact CB-CE1 4.07Å; P39-F168 HydrophobicContact CG-CD1 4Å; P39-F168 HydrophobicContact CG-CE1 4.16Å; P39-F168 HydrophobicContact CG-CG 4.23Å; P39-S171 WeakPolarHBondContact CB-OG 3.42Å |
| 40 | L | 86.6 | Confident | 84.5 | Confident | 6 Ų | 6 | 16.7 Ų | 16.7 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | -176.7 | -169.2 | 66.2 | 0 | 0 | 0 | 111.8 | C36 L44 F93 F96 I97 V100 W214 | C36-L40 VanDerWaalsContact O-CB 3.23Å; C36-L40 WeakPolarHBondContact O-CB 3.29Å; C36-L40 PolarHBondContact O-N 2.89Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3.25Å; L40-F93 HydrophobicContact CD2-CE2 4.15Å; L40-F93 HydrophobicContact CD2-CZ 3.68Å; L40-F96 HydrophobicContact CD2-CD1 3.63Å; L40-F96 HydrophobicContact CD2-CE1 3.68Å; L40-F96 HydrophobicContact CG-CE1 4.23Å; L40-I97 HydrophobicContact CD2-CG1 4.18Å; L40-V100 HydrophobicContact CD1-CB 4.16Å; L40-V100 HydrophobicContact CD1-CG1 3.82Å; L40-V100 HydrophobicContact CD1-CG2 4.21Å; L40-V100 HydrophobicContact CD2-CG2 4.21Å; L40-V100 HydrophobicContact CG-CG2 4.22Å; L40-W214 HydrophobicContact CD1-CH2 4.1Å |
| 41 | R | 88.6 | Confident | 83 | Confident | 10 Ų | 10 | 18.9 Ų | 18.9 | 4% | 0.038 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.1 | -47.7 | 172.5 | 176.7 | -176.5 | 73.5 | 168.9 | 1.5 | 112.2 | I37 M38 P39 S45 L58 Y62 E290 F418 | I37-R41 WeakPolarHBondContact O-CB 3.37Å; I37-R41 PolarHBondContact O-N 3.07Å; M38-R41 VanDerWaalsContact SD-CZ 3.57Å; M38-R41 PolarHBondContact SD-NH2 3.19Å; M38-R41 VanDerWaalsContact SD-NH2 3.37Å; P39-R41 VanDerWaalsContact C-N 3.32Å; P39-R41 PolarHBondContact O-N 2.99Å; R41-S45 PolarHBondContact O-N 3.02Å; R41-L58 HydrophobicContact CG-CD1 4.32Å; R41-L58 HydrophobicContact CG-CD2 4.03Å; R41-Y62 WeakPolarHBondContact CD-OH 2.99Å; R41-Y62 PolarHBondContact NH1-OH 3.19Å; R41-E290 IonicContact CZ-OE1 3.96Å; R41-E290 VanDerWaalsContact CZ-OE1 3.24Å; R41-E290 IonicContact NH1-OE1 2.77Å; R41-E290 PolarHBondContact NH1-OE1 2.86Å; R41-E290 IonicContact NH2-OE1 3.96Å; R41-E290 PolarHBondContact NH2-OE1 3Å; R41-F418 HydrophobicContact CG-CZ 4Å |
| 42 | T | 88.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.5 | -51.2 | -175 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | M38 P39 L44 S45 L46 V294 L315 | M38-T42 PolarHBondContact O-N 2.87Å; M38-T42 PolarHBondContact O-OG1 3.01Å; P39-T42 PolarHBondContact O-N 3Å; T42-L44 PolarHBondContact O-N 3.32Å; T42-S45 PolarHBondContact O-N 2.88Å; T42-S45 PolarHBondContact O-OG 3.33Å; T42-L46 HydrophobicContact CG2-CD1 3.73Å; T42-L46 WeakPolarHBondContact O-CD1 3.39Å; T42-L46 VanDerWaalsContact O-CG 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.06Å; T42-L46 PolarHBondContact O-N 2.96Å; T42-L46 VanDerWaalsContact O-N 3.17Å; T42-V294 HydrophobicContact CG2-CG1 3.9Å; T42-V294 VanDerWaalsContact CG2-O 3.25Å; T42-V294 WeakPolarHBondContact CG2-O 3.2Å; T42-V294 VanDerWaalsContact OG1-CG1 3.3Å; T42-V294 WeakPolarHBondContact OG1-CG1 3.32Å; T42-L315 HydrophobicContact CG2-CD1 3.32Å |
| 43 | Y | 85.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.3 | -32.7 | 179.6 | -65.1 | -70.2 | 0 | 0 | 0 | 111.5 | P39 L46 S47 S171 L175 W189 Q308 G312 | P39-Y43 HydrophobicContact CB-CD2 4.21Å; P39-Y43 HydrophobicContact CB-CE2 3.99Å; P39-Y43 WeakPolarHBondContact O-CD2 3.43Å; P39-Y43 PolarHBondContact O-N 3.21Å; Y43-L46 PolarHBondContact O-N 3.12Å; Y43-S47 PolarHBondContact O-N 2.96Å; Y43-S47 PolarHBondContact O-OG 2.84Å; Y43-S171 VanDerWaalsContact CE2-CB 3.46Å; Y43-L175 HydrophobicContact CD1-CD1 4.26Å; Y43-L175 HydrophobicContact CE1-CD1 3.49Å; Y43-L175 VanDerWaalsContact CE1-CD1 3.49Å; Y43-L175 HydrophobicContact CE2-CD1 4.36Å; Y43-W189 AromaticContact CD1-CH2 3.72Å; Y43-W189 HydrophobicContact CD1-CH2 3.72Å; Y43-W189 AromaticContact CD1-CZ3 3.9Å; Y43-W189 HydrophobicContact CD1-CZ3 3.9Å; Y43-W189 HydrophobicContact CE1-CZ3 4.47Å; Y43-Q308 HydrophobicContact CD1-CG 4.21Å; Y43-Q308 HydrophobicContact CE1-CG 4.11Å; Y43-G312 WeakPolarHBondContact OH-CA 3.44Å |
| 44 | L | 84.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 174.4 | 177.9 | 59.1 | 0 | 0 | 0 | 111.4 | L40 T42 L46 S47 A54 L58 F96 V100 Y103 L108 | L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3.25Å; T42-L44 PolarHBondContact O-N 3.32Å; L44-L46 PolarHBondContact O-N 2.89Å; L44-S47 VanDerWaalsContact O-CB 3.3Å; L44-S47 WeakPolarHBondContact O-CB 3.35Å; L44-S47 PolarHBondContact O-N 3.43Å; L44-S47 PolarHBondContact O-OG 3.38Å; L44-A54 HydrophobicContact CD1-CB 3.55Å; L44-A54 HydrophobicContact CG-CB 3.8Å; L44-A54 WeakPolarHBondContact O-CB 3.03Å; L44-L58 HydrophobicContact CD2-CD1 4.42Å; L44-L58 HydrophobicContact CD2-CD2 4.09Å; L44-L58 HydrophobicContact CD2-CG 4.17Å; L44-L58 HydrophobicContact CG-CD1 4.29Å; L44-F96 HydrophobicContact CD2-CE1 4.45Å; L44-F96 HydrophobicContact CD2-CZ 3.77Å; L44-V100 HydrophobicContact CD1-CG1 4.34Å; L44-V100 HydrophobicContact CD2-CG2 4.09Å; L44-Y103 HydrophobicContact CD1-CE2 4.3Å; L44-L108 HydrophobicContact CD1-CD2 4.26Å; L44-L108 HydrophobicContact CD2-CD1 4.2Å |
| 45 | S | 85.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.8 | -25.4 | 178.4 | 71.2 | 0 | 0 | 0 | 0 | 113.9 | R41 T42 S47 A295 K421 | R41-S45 PolarHBondContact O-N 3.02Å; T42-S45 PolarHBondContact O-N 2.88Å; T42-S45 PolarHBondContact O-OG 3.33Å; S45-S47 VanDerWaalsContact C-N 3.33Å; S45-A295 WeakPolarHBondContact OG-CB 3.47Å; S45-K421 WeakPolarHBondContact O-CE 3.42Å; S45-K421 PolarHBondContact O-NZ 3.3Å |
| 46 | L | 82.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0 | 179.8 | -70.1 | 167.1 | 0 | 0 | 0 | 114.1 | T42 Y43 L44 W189 M298 Q299 V311 | T42-L46 HydrophobicContact CG2-CD1 3.73Å; T42-L46 WeakPolarHBondContact O-CD1 3.39Å; T42-L46 VanDerWaalsContact O-CG 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.06Å; T42-L46 PolarHBondContact O-N 2.96Å; T42-L46 VanDerWaalsContact O-N 3.17Å; Y43-L46 PolarHBondContact O-N 3.12Å; L44-L46 PolarHBondContact O-N 2.89Å; L46-W189 HydrophobicContact CB-CE3 4.44Å; L46-W189 HydrophobicContact CB-CH2 3.33Å; L46-W189 HydrophobicContact CB-CZ2 4.09Å; L46-W189 HydrophobicContact CB-CZ3 3.55Å; L46-W189 HydrophobicContact CD1-CH2 4.12Å; L46-W189 HydrophobicContact CD1-CZ3 3.64Å; L46-W189 HydrophobicContact CG-CH2 4.35Å; L46-W189 HydrophobicContact CG-CZ3 4.18Å; L46-M298 HydrophobicContact CD1-CB 3.89Å; L46-M298 HydrophobicContact CD2-CB 3.87Å; L46-M298 HydrophobicContact CG-CB 4.46Å; L46-Q299 HydrophobicContact CD2-CB 3.49Å; L46-Q299 VanDerWaalsContact CD2-CB 3.49Å; L46-Q299 HydrophobicContact CD2-CG 3.85Å; L46-V311 HydrophobicContact CD1-CG1 3.75Å |
| 47 | S | 73.9 | Confident | 81.1 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -70.1 | 138.5 | -174.5 | -61 | 0 | 0 | 0 | 0 | 112.7 | Y43 L44 S45 D49 W214 | Y43-S47 PolarHBondContact O-N 2.96Å; Y43-S47 PolarHBondContact O-OG 2.84Å; L44-S47 VanDerWaalsContact O-CB 3.3Å; L44-S47 WeakPolarHBondContact O-CB 3.35Å; L44-S47 PolarHBondContact O-N 3.43Å; L44-S47 PolarHBondContact O-OG 3.38Å; S45-S47 VanDerWaalsContact C-N 3.33Å; S47-D49 VanDerWaalsContact C-N 3.33Å; S47-D49 VanDerWaalsContact CB-OD1 3.3Å; S47-D49 WeakPolarHBondContact CB-OD1 3.34Å; S47-D49 PolarHBondContact O-N 2.89Å; S47-W214 PolarHBondContact OG-NE1 3.26Å |
| 48 | P | 64 | Low | 81.3 | Confident | 72 Ų | 72 | 22.2 Ų | 22.2 | 47% | 0.468 | 14% | 0.141 | S | C | . | . | trans | -74.7 | 85 | 175.3 | 30 | -33.5 | 0 | 0 | 0 | 110.6 | I212 | P48-I212 VanDerWaalsContact CG-O 3.28Å; P48-I212 WeakPolarHBondContact CG-O 3.43Å | ||
| 49 | D | 64.6 | Low | 81.5 | Confident | 27 Ų | 27 | 21.8 Ų | 21.8 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | trans | -86.4 | 128.5 | -170.6 | -76.2 | -1.9 | 0 | 0 | 0 | 114.4 | S47 G51 V53 A54 Y103 | S47-D49 VanDerWaalsContact C-N 3.33Å; S47-D49 VanDerWaalsContact CB-OD1 3.3Å; S47-D49 WeakPolarHBondContact CB-OD1 3.34Å; S47-D49 PolarHBondContact O-N 2.89Å; D49-G51 PolarHBondContact O-N 2.75Å; D49-V53 PolarHBondContact OD2-N 3.48Å; D49-A54 WeakPolarHBondContact OD2-CA 3.39Å; D49-A54 WeakPolarHBondContact OD2-CB 3.49Å; D49-A54 PolarHBondContact OD2-N 2.71Å; D49-Y103 PolarHBondContact OD1-OH 2.86Å; D49-Y103 PolarHBondContact OD2-OH 3.43Å; D49-Y103 VanDerWaalsContact OD2-OH 3.1Å | ||
| 50 | C | 52.4 | Low | 81.7 | Confident | 125 Ų | 125 | 24.5 Ų | 24.5 | 85% | 0.845 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 74.6 | 162 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 51 | G | 62.1 | Low | 82.1 | Confident | 47 Ų | 47 | 24.4 Ų | 24.4 | 49% | 0.485 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 120 | 19.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | D49 V53 | D49-G51 PolarHBondContact O-N 2.75Å; G51-V53 PolarHBondContact O-N 3.48Å |
| 52 | N | 79.4 | Confident | 82.4 | Confident | 51 Ų | 51 | 24.4 Ų | 24.4 | 27% | 0.273 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 60.1 | 29.2 | 174.3 | -46.4 | -36.9 | 0 | 0 | 0 | 114.4 | A54 S55 I56 P422 | N52-A54 PolarHBondContact O-N 2.71Å; N52-S55 WeakPolarHBondContact O-CB 3.33Å; N52-S55 PolarHBondContact O-N 2.97Å; N52-S55 VanDerWaalsContact O-N 3.16Å; N52-I56 WeakPolarHBondContact O-CG1 3.38Å; N52-I56 PolarHBondContact O-N 3.04Å; N52-P422 HydrophobicContact CB-CB 3.8Å; N52-P422 HydrophobicContact CB-CG 4.14Å; N52-P422 VanDerWaalsContact ND2-CB 3.33Å; N52-P422 WeakPolarHBondContact ND2-CB 3.49Å |
| 53 | V | 84.8 | Confident | 82.7 | Confident | 13 Ų | 13 | 27.5 Ų | 27.5 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71 | -36.7 | -164.7 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | D49 G51 I56 A57 H105 L108 | D49-V53 PolarHBondContact OD2-N 3.48Å; G51-V53 PolarHBondContact O-N 3.48Å; V53-I56 PolarHBondContact O-N 2.71Å; V53-A57 VanDerWaalsContact O-CB 3.25Å; V53-A57 WeakPolarHBondContact O-CB 3.27Å; V53-A57 PolarHBondContact O-N 3.23Å; V53-H105 VanDerWaalsContact CG2-CD2 3.5Å; V53-H105 WeakPolarHBondContact CG2-CD2 3.44Å; V53-L108 HydrophobicContact CG1-CD2 4.49Å |
| 54 | A | 84.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L44 D49 N52 A57 L58 | L44-A54 HydrophobicContact CD1-CB 3.55Å; L44-A54 HydrophobicContact CG-CB 3.8Å; L44-A54 WeakPolarHBondContact O-CB 3.03Å; D49-A54 WeakPolarHBondContact OD2-CA 3.39Å; D49-A54 WeakPolarHBondContact OD2-CB 3.49Å; D49-A54 PolarHBondContact OD2-N 2.71Å; N52-A54 PolarHBondContact O-N 2.71Å; A54-A57 PolarHBondContact O-N 2.95Å; A54-L58 VanDerWaalsContact O-CB 3.31Å; A54-L58 WeakPolarHBondContact O-CB 3.35Å; A54-L58 VanDerWaalsContact O-CG 3.29Å; A54-L58 WeakPolarHBondContact O-CG 3.24Å; A54-L58 PolarHBondContact O-N 2.78Å |
| 55 | S | 88 | Confident | 83.6 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | N52 S59 F418 | N52-S55 WeakPolarHBondContact O-CB 3.33Å; N52-S55 PolarHBondContact O-N 2.97Å; N52-S55 VanDerWaalsContact O-N 3.16Å; S55-S59 VanDerWaalsContact O-CB 3.31Å; S55-S59 WeakPolarHBondContact O-CB 3.09Å; S55-S59 PolarHBondContact O-N 2.95Å; S55-F418 WeakPolarHBondContact CB-O 3.24Å |
| 56 | I | 90.4 | Very high | 84 | Confident | 85 Ų | 85 | 28.8 Ų | 28.8 | 44% | 0.436 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 174.2 | -66 | 165.8 | 0 | 0 | 0 | 111 | N52 V53 S59 L60 L109 | N52-I56 WeakPolarHBondContact O-CG1 3.38Å; N52-I56 PolarHBondContact O-N 3.04Å; V53-I56 PolarHBondContact O-N 2.71Å; I56-S59 PolarHBondContact O-N 3.43Å; I56-L60 VanDerWaalsContact O-CB 3.28Å; I56-L60 WeakPolarHBondContact O-CB 3.42Å; I56-L60 PolarHBondContact O-N 3.14Å; I56-L109 HydrophobicContact CG2-CD2 4.24Å |
| 57 | A | 90.1 | Very high | 84.4 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V53 A54 L60 L61 L108 L109 A112 | V53-A57 VanDerWaalsContact O-CB 3.25Å; V53-A57 WeakPolarHBondContact O-CB 3.27Å; V53-A57 PolarHBondContact O-N 3.23Å; A54-A57 PolarHBondContact O-N 2.95Å; A57-L60 PolarHBondContact O-N 2.78Å; A57-L61 WeakPolarHBondContact O-CB 3.2Å; A57-L61 PolarHBondContact O-N 3.3Å; A57-L108 HydrophobicContact CB-CD2 4.13Å; A57-L108 HydrophobicContact CB-CG 4.02Å; A57-L109 HydrophobicContact CB-CD2 3.89Å; A57-A112 HydrophobicContact CB-CB 4.11Å; A57-A112 WeakPolarHBondContact O-CB 3.28Å |
| 58 | L | 92.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.2 | -41.6 | 175.6 | -72.3 | 174.4 | 0 | 0 | 0 | 111.5 | R41 L44 A54 L60 L61 Y62 F418 | R41-L58 HydrophobicContact CG-CD1 4.32Å; R41-L58 HydrophobicContact CG-CD2 4.03Å; L44-L58 HydrophobicContact CD2-CD1 4.42Å; L44-L58 HydrophobicContact CD2-CD2 4.09Å; L44-L58 HydrophobicContact CD2-CG 4.17Å; L44-L58 HydrophobicContact CG-CD1 4.29Å; A54-L58 VanDerWaalsContact O-CB 3.31Å; A54-L58 WeakPolarHBondContact O-CB 3.35Å; A54-L58 VanDerWaalsContact O-CG 3.29Å; A54-L58 WeakPolarHBondContact O-CG 3.24Å; A54-L58 PolarHBondContact O-N 2.78Å; L58-L60 PolarHBondContact O-N 3.4Å; L58-L61 PolarHBondContact O-N 3.22Å; L58-Y62 WeakPolarHBondContact O-CD2 3.45Å; L58-Y62 PolarHBondContact O-N 2.79Å; L58-Y62 VanDerWaalsContact O-N 3.12Å; L58-F418 HydrophobicContact CB-CB 4.3Å; L58-F418 HydrophobicContact CB-CD1 4.04Å; L58-F418 HydrophobicContact CB-CD2 3.99Å; L58-F418 HydrophobicContact CB-CE1 4.41Å; L58-F418 HydrophobicContact CB-CE2 4.37Å; L58-F418 HydrophobicContact CB-CG 3.84Å; L58-F418 HydrophobicContact CD1-CD1 3.96Å; L58-F418 HydrophobicContact CD1-CE1 3.73Å; L58-F418 HydrophobicContact CD1-CZ 4.14Å |
| 59 | S | 94.3 | Very high | 86.4 | Confident | 9 Ų | 9 | 28.5 Ų | 28.5 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -48.1 | 172.7 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | S55 I56 L61 Y62 V63 S415 | S55-S59 VanDerWaalsContact O-CB 3.31Å; S55-S59 WeakPolarHBondContact O-CB 3.09Å; S55-S59 PolarHBondContact O-N 2.95Å; I56-S59 PolarHBondContact O-N 3.43Å; S59-L61 PolarHBondContact O-N 3.47Å; S59-Y62 PolarHBondContact O-N 3.17Å; S59-Y62 VanDerWaalsContact O-N 3.1Å; S59-V63 WeakPolarHBondContact O-CG2 3.26Å; S59-V63 PolarHBondContact O-N 3.17Å; S59-S415 PolarHBondContact O-OG 3.22Å; S59-S415 PolarHBondContact OG-O 2.74Å; S59-S415 PolarHBondContact OG-OG 3.5Å |
| 60 | L | 94 | Very high | 87.4 | Confident | 57 Ų | 57 | 29.3 Ų | 29.3 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.7 | -176.4 | 59.9 | 0 | 0 | 0 | 112.5 | I56 A57 L58 Y62 V63 V64 L109 I113 | I56-L60 VanDerWaalsContact O-CB 3.28Å; I56-L60 WeakPolarHBondContact O-CB 3.42Å; I56-L60 PolarHBondContact O-N 3.14Å; A57-L60 PolarHBondContact O-N 2.78Å; L58-L60 PolarHBondContact O-N 3.4Å; L60-Y62 VanDerWaalsContact C-N 3.27Å; L60-Y62 PolarHBondContact O-N 2.94Å; L60-V63 PolarHBondContact O-N 3.22Å; L60-V64 HydrophobicContact CD1-CG2 3.96Å; L60-V64 HydrophobicContact CG-CG2 4.37Å; L60-V64 WeakPolarHBondContact O-CB 3.44Å; L60-V64 VanDerWaalsContact O-CG2 3.23Å; L60-V64 WeakPolarHBondContact O-CG2 3.44Å; L60-V64 PolarHBondContact O-N 2.9Å; L60-L109 HydrophobicContact CD2-CD2 4.28Å; L60-I113 HydrophobicContact CD2-CD1 3.93Å; L60-I113 HydrophobicContact CD2-CG1 3.59Å; L60-I113 HydrophobicContact CG-CG1 3.95Å |
| 61 | L | 93.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.1 | -45.9 | 172.6 | -176.2 | 160.6 | 0 | 0 | 0 | 110.9 | A57 L58 S59 S65 A112 I115 G116 | A57-L61 WeakPolarHBondContact O-CB 3.2Å; A57-L61 PolarHBondContact O-N 3.3Å; L58-L61 PolarHBondContact O-N 3.22Å; S59-L61 PolarHBondContact O-N 3.47Å; L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.08Å; L61-S65 PolarHBondContact O-N 3.3Å; L61-A112 HydrophobicContact CB-CB 4.21Å; L61-I115 HydrophobicContact CD1-CB 4.04Å; L61-I115 HydrophobicContact CD1-CD1 4.35Å; L61-I115 HydrophobicContact CD1-CG2 3.83Å; L61-I115 HydrophobicContact CD2-CG2 4.29Å; L61-I115 HydrophobicContact CG-CB 4.32Å; L61-I115 HydrophobicContact CG-CG2 4.04Å; L61-G116 WeakPolarHBondContact O-CA 3.47Å |
| 62 | Y | 95.4 | Very high | 89.6 | Confident | 9 Ų | 9 | 24.8 Ų | 24.8 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76 | -34.5 | -178.7 | -76.7 | -62.4 | 0 | 0 | 0 | 114.3 | R41 L58 S59 L60 S65 A66 T411 M414 F418 | R41-Y62 WeakPolarHBondContact CD-OH 2.99Å; R41-Y62 PolarHBondContact NH1-OH 3.19Å; L58-Y62 WeakPolarHBondContact O-CD2 3.45Å; L58-Y62 PolarHBondContact O-N 2.79Å; L58-Y62 VanDerWaalsContact O-N 3.12Å; S59-Y62 PolarHBondContact O-N 3.17Å; S59-Y62 VanDerWaalsContact O-N 3.1Å; L60-Y62 VanDerWaalsContact C-N 3.27Å; L60-Y62 PolarHBondContact O-N 2.94Å; Y62-S65 WeakPolarHBondContact O-CB 3.39Å; Y62-S65 PolarHBondContact O-N 3.25Å; Y62-A66 PolarHBondContact O-N 2.88Å; Y62-T411 HydrophobicContact CD1-CG2 3.97Å; Y62-T411 HydrophobicContact CE1-CG2 4.48Å; Y62-M414 HydrophobicContact CD1-CB 4.08Å; Y62-M414 HydrophobicContact CD1-SD 4.04Å; Y62-M414 HydrophobicContact CD2-CB 3.99Å; Y62-M414 HydrophobicContact CE1-CB 4.38Å; Y62-M414 HydrophobicContact CE1-SD 3.56Å; Y62-M414 VanDerWaalsContact CE1-SD 3.56Å; Y62-M414 HydrophobicContact CE2-CB 4.31Å; Y62-M414 HydrophobicContact CG-CB 3.88Å; Y62-F418 AromaticContact CD2-CD2 3.79Å; Y62-F418 HydrophobicContact CD2-CD2 3.79Å; Y62-F418 AromaticContact CD2-CE2 3.8Å; Y62-F418 HydrophobicContact CD2-CE2 3.8Å; Y62-F418 AromaticContact CE2-CD2 3.97Å; Y62-F418 HydrophobicContact CE2-CD2 3.97Å; Y62-F418 AromaticContact CE2-CE2 3.48Å; Y62-F418 HydrophobicContact CE2-CE2 3.48Å; Y62-F418 VanDerWaalsContact CE2-CE2 3.48Å; Y62-F418 HydrophobicContact CE2-CZ 4.48Å |
| 63 | V | 95.3 | Very high | 89 | Confident | 65 Ų | 65 | 23 Ų | 23 | 39% | 0.394 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 169.5 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | S59 L60 S65 A66 S67 S415 | S59-V63 WeakPolarHBondContact O-CG2 3.26Å; S59-V63 PolarHBondContact O-N 3.17Å; L60-V63 PolarHBondContact O-N 3.22Å; V63-S65 VanDerWaalsContact C-N 3.29Å; V63-S65 PolarHBondContact O-N 2.71Å; V63-A66 WeakPolarHBondContact O-CB 3.46Å; V63-A66 PolarHBondContact O-N 3.37Å; V63-A66 VanDerWaalsContact O-N 3.14Å; V63-S67 PolarHBondContact O-N 3.27Å; V63-S67 PolarHBondContact O-OG 3.33Å; V63-S415 WeakPolarHBondContact CG2-OG 3.24Å |
| 64 | V | 95.2 | Very high | 88 | Confident | 23 Ų | 23 | 22.9 Ų | 22.9 | 14% | 0.139 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.5 | -33.4 | -179.6 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | L60 S67 S68 I113 G116 L117 | L60-V64 HydrophobicContact CD1-CG2 3.96Å; L60-V64 HydrophobicContact CG-CG2 4.37Å; L60-V64 WeakPolarHBondContact O-CB 3.44Å; L60-V64 VanDerWaalsContact O-CG2 3.23Å; L60-V64 WeakPolarHBondContact O-CG2 3.44Å; L60-V64 PolarHBondContact O-N 2.9Å; V64-S67 PolarHBondContact O-N 3.1Å; V64-S68 VanDerWaalsContact O-CB 3.27Å; V64-S68 WeakPolarHBondContact O-CB 3.38Å; V64-S68 PolarHBondContact O-N 3.29Å; V64-S68 PolarHBondContact O-OG 3.16Å; V64-I113 HydrophobicContact CG1-CG2 4.45Å; V64-G116 CarbonylContact C-O 3.57Å; V64-L117 HydrophobicContact CG1-CB 4.44Å; V64-L117 HydrophobicContact CG1-CD2 3.63Å; V64-L117 HydrophobicContact CG1-CG 3.69Å |
| 65 | S | 94 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 169.9 | -165 | 0 | 0 | 0 | 0 | 112.9 | L61 Y62 V63 S68 S69 G116 Q119 G120 | L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.08Å; L61-S65 PolarHBondContact O-N 3.3Å; Y62-S65 WeakPolarHBondContact O-CB 3.39Å; Y62-S65 PolarHBondContact O-N 3.25Å; V63-S65 VanDerWaalsContact C-N 3.29Å; V63-S65 PolarHBondContact O-N 2.71Å; S65-S68 WeakPolarHBondContact CA-OG 3.36Å; S65-S68 PolarHBondContact O-OG 3.38Å; S65-S69 WeakPolarHBondContact O-CB 3.42Å; S65-S69 PolarHBondContact O-N 2.88Å; S65-S69 VanDerWaalsContact O-N 3.12Å; S65-S69 PolarHBondContact O-OG 3.47Å; S65-G116 WeakPolarHBondContact CA-O 3.41Å; S65-G116 PolarHBondContact N-O 3.32Å; S65-Q119 PolarHBondContact OG-NE2 3.37Å; S65-G120 PolarHBondContact OG-N 3.1Å |
| 66 | A | 93.2 | Very high | 85.9 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y62 V63 S69 L70 V408 V412 | Y62-A66 PolarHBondContact O-N 2.88Å; V63-A66 WeakPolarHBondContact O-CB 3.46Å; V63-A66 PolarHBondContact O-N 3.37Å; V63-A66 VanDerWaalsContact O-N 3.14Å; A66-S69 WeakPolarHBondContact O-CB 3.34Å; A66-S69 PolarHBondContact O-N 3.21Å; A66-L70 PolarHBondContact O-N 2.82Å; A66-V408 HydrophobicContact CB-CG1 4.34Å; A66-V412 HydrophobicContact CB-CG2 3.79Å |
| 67 | S | 91.5 | Very high | 84.6 | Confident | 62 Ų | 62 | 27.3 Ų | 27.3 | 43% | 0.434 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 177.4 | -63 | 0 | 0 | 0 | 0 | 112.7 | V63 V64 S69 L70 L71 | V63-S67 PolarHBondContact O-N 3.27Å; V63-S67 PolarHBondContact O-OG 3.33Å; V64-S67 PolarHBondContact O-N 3.1Å; S67-S69 VanDerWaalsContact C-N 3.3Å; S67-S69 PolarHBondContact O-N 3.4Å; S67-L70 PolarHBondContact O-N 3.12Å; S67-L71 WeakPolarHBondContact O-CG 3.31Å; S67-L71 PolarHBondContact O-N 2.89Å |
| 68 | S | 91.5 | Very high | 83.4 | Confident | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.6 | -30.4 | 179.1 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | V64 S65 L71 Y72 G116 L117 P121 | V64-S68 VanDerWaalsContact O-CB 3.27Å; V64-S68 WeakPolarHBondContact O-CB 3.38Å; V64-S68 PolarHBondContact O-N 3.29Å; V64-S68 PolarHBondContact O-OG 3.16Å; S65-S68 WeakPolarHBondContact CA-OG 3.36Å; S65-S68 PolarHBondContact O-OG 3.38Å; S68-L71 CarbonylContact O-C 3.56Å; S68-L71 PolarHBondContact O-N 3.42Å; S68-Y72 PolarHBondContact O-N 3.06Å; S68-G116 PolarHBondContact OG-O 3.28Å; S68-L117 WeakPolarHBondContact CB-O 3.42Å; S68-P121 VanDerWaalsContact OG-CD 3.31Å; S68-P121 WeakPolarHBondContact OG-CD 3.36Å |
| 69 | S | 88.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 171.9 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | S65 A66 S67 L71 Y72 G120 N124 T404 H407 | S65-S69 WeakPolarHBondContact O-CB 3.42Å; S65-S69 PolarHBondContact O-N 2.88Å; S65-S69 VanDerWaalsContact O-N 3.12Å; S65-S69 PolarHBondContact O-OG 3.47Å; A66-S69 WeakPolarHBondContact O-CB 3.34Å; A66-S69 PolarHBondContact O-N 3.21Å; S67-S69 VanDerWaalsContact C-N 3.3Å; S67-S69 PolarHBondContact O-N 3.4Å; S69-L71 VanDerWaalsContact C-N 3.26Å; S69-L71 PolarHBondContact O-N 2.78Å; S69-Y72 VanDerWaalsContact O-CB 3.28Å; S69-Y72 WeakPolarHBondContact O-CB 3.46Å; S69-Y72 PolarHBondContact O-N 3.38Å; S69-G120 WeakPolarHBondContact OG-CA 3.19Å; S69-N124 PolarHBondContact O-ND2 2.68Å; S69-T404 WeakPolarHBondContact O-CG2 3.43Å; S69-H407 PolarHBondContact OG-CD2 2.79Å; S69-H407 VanDerWaalsContact OG-CD2 3.27Å |
| 70 | L | 86 | Confident | 81.1 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -34.3 | 176.8 | -66.9 | 171.5 | 0 | 0 | 0 | 112 | A66 S67 L264 N267 I271 V408 | A66-L70 PolarHBondContact O-N 2.82Å; S67-L70 PolarHBondContact O-N 3.12Å; L70-L264 HydrophobicContact CB-CD2 4.43Å; L70-L264 WeakPolarHBondContact O-CD2 3.43Å; L70-N267 HydrophobicContact CD2-CB 4.47Å; L70-I271 HydrophobicContact CD2-CD1 4.44Å; L70-V408 HydrophobicContact CD1-CG1 4.49Å; L70-V408 HydrophobicContact CD2-CG2 3.92Å; L70-V408 HydrophobicContact CG-CG2 3.86Å |
| 71 | L | 83.2 | Confident | 80.3 | Confident | 68 Ų | 68 | 42.5 Ų | 42.5 | 36% | 0.356 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6 | 177.6 | -64.2 | 173 | 0 | 0 | 0 | 114.5 | S67 S68 S69 G73 T74 F75 L264 | S67-L71 WeakPolarHBondContact O-CG 3.31Å; S67-L71 PolarHBondContact O-N 2.89Å; S68-L71 CarbonylContact O-C 3.56Å; S68-L71 PolarHBondContact O-N 3.42Å; S69-L71 VanDerWaalsContact C-N 3.26Å; S69-L71 PolarHBondContact O-N 2.78Å; L71-G73 VanDerWaalsContact C-N 3.31Å; L71-G73 PolarHBondContact O-N 3.31Å; L71-T74 PolarHBondContact O-N 2.8Å; L71-T74 VanDerWaalsContact O-N 3.1Å; L71-T74 PolarHBondContact O-OG1 2.98Å; L71-F75 HydrophobicContact CB-CD2 4.31Å; L71-F75 HydrophobicContact CD2-CE2 4.19Å; L71-F75 PolarHBondContact O-N 3.11Å; L71-L264 HydrophobicContact CD2-CD1 3.98Å; L71-L264 HydrophobicContact CD2-CD2 4.12Å |
| 72 | Y | 77.3 | Confident | 79.6 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -55.5 | -45.7 | -178.1 | 171 | -108.1 | 0 | 0 | 0 | 112.5 | S68 S69 T74 V76 A77 H82 T85 P121 N124 A125 | S68-Y72 PolarHBondContact O-N 3.06Å; S69-Y72 VanDerWaalsContact O-CB 3.28Å; S69-Y72 WeakPolarHBondContact O-CB 3.46Å; S69-Y72 PolarHBondContact O-N 3.38Å; Y72-T74 PolarHBondContact O-N 3.28Å; Y72-V76 HydrophobicContact CD2-CB 3.68Å; Y72-V76 HydrophobicContact CD2-CG1 3.75Å; Y72-V76 HydrophobicContact CD2-CG2 4.37Å; Y72-V76 HydrophobicContact CE2-CB 3.93Å; Y72-V76 HydrophobicContact CE2-CG1 3.56Å; Y72-V76 WeakPolarHBondContact O-CB 3.45Å; Y72-V76 PolarHBondContact O-N 2.92Å; Y72-V76 VanDerWaalsContact O-N 3.17Å; Y72-A77 HydrophobicContact CD1-CB 4.39Å; Y72-A77 HydrophobicContact CE1-CB 3.98Å; Y72-A77 PolarHBondContact O-N 3.1Å; Y72-H82 PolarHBondContact OH-CD2 3.21Å; Y72-T85 HydrophobicContact CE2-CG2 4.15Å; Y72-P121 HydrophobicContact CD2-CB 3.88Å; Y72-N124 VanDerWaalsContact CB-ND2 3.32Å; Y72-N124 WeakPolarHBondContact CB-ND2 3.4Å; Y72-N124 HydrophobicContact CD1-CB 3.49Å; Y72-N124 VanDerWaalsContact CD1-CB 3.49Å; Y72-N124 HydrophobicContact CD2-CB 4.17Å; Y72-N124 HydrophobicContact CE1-CB 3.86Å; Y72-N124 HydrophobicContact CE2-CB 4.48Å; Y72-N124 HydrophobicContact CG-CB 3.67Å; Y72-A125 HydrophobicContact CE2-CB 4.03Å |
| 73 | G | 65.7 | Low | 79.1 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -65.2 | -23.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L71 L263 | L71-G73 VanDerWaalsContact C-N 3.31Å; L71-G73 PolarHBondContact O-N 3.31Å; G73-L263 VanDerWaalsContact O-CD1 3.25Å; G73-L263 WeakPolarHBondContact O-CD1 3.44Å |
| 74 | T | 65.3 | Low | 78.6 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -90.3 | -45 | -172 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | L71 Y72 A260 L264 | L71-T74 PolarHBondContact O-N 2.8Å; L71-T74 VanDerWaalsContact O-N 3.1Å; L71-T74 PolarHBondContact O-OG1 2.98Å; Y72-T74 PolarHBondContact O-N 3.28Å; T74-A260 HydrophobicContact CG2-CB 3.91Å; T74-A260 WeakPolarHBondContact CG2-O 3.42Å; T74-L264 HydrophobicContact CG2-CD1 3.68Å; T74-L264 HydrophobicContact CG2-CD2 4.46Å; T74-L264 HydrophobicContact CG2-CG 3.54Å |
| 75 | F | 64.2 | Low | 78.2 | Confident | 140 Ų | 140 | 43 Ų | 43 | 61% | 0.614 | 22% | 0.224 | S | C | * | . | I | π-helix | trans | -103.7 | -47.8 | -175.5 | -64.3 | -72.3 | 0 | 0 | 0 | 112.1 | L71 | L71-F75 HydrophobicContact CB-CD2 4.31Å; L71-F75 HydrophobicContact CD2-CE2 4.19Å; L71-F75 PolarHBondContact O-N 3.11Å |
| 76 | V | 63.2 | Low | 77.8 | Confident | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -82.6 | -52.9 | -167.6 | -178.2 | 0 | 0 | 0 | 0 | 111 | Y72 R78 Q79 L80 T85 P121 | Y72-V76 HydrophobicContact CD2-CB 3.68Å; Y72-V76 HydrophobicContact CD2-CG1 3.75Å; Y72-V76 HydrophobicContact CD2-CG2 4.37Å; Y72-V76 HydrophobicContact CE2-CB 3.93Å; Y72-V76 HydrophobicContact CE2-CG1 3.56Å; Y72-V76 WeakPolarHBondContact O-CB 3.45Å; Y72-V76 PolarHBondContact O-N 2.92Å; Y72-V76 VanDerWaalsContact O-N 3.17Å; V76-R78 PolarHBondContact O-N 3.33Å; V76-Q79 PolarHBondContact O-N 2.99Å; V76-L80 HydrophobicContact CG1-CB 4.09Å; V76-L80 HydrophobicContact CG1-CD1 4.04Å; V76-L80 PolarHBondContact O-N 3.03Å; V76-T85 HydrophobicContact CG1-CG2 3.63Å; V76-T85 WeakPolarHBondContact CG1-OG1 3.44Å; V76-P121 HydrophobicContact CG1-CB 4.42Å; V76-P121 HydrophobicContact CG2-CB 4.22Å; V76-P121 HydrophobicContact CG2-CG 4.16Å |
| 77 | A | 63.6 | Low | 77.7 | Confident | 21 Ų | 21 | 44 Ų | 44 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y72 | Y72-A77 HydrophobicContact CD1-CB 4.39Å; Y72-A77 HydrophobicContact CE1-CB 3.98Å; Y72-A77 PolarHBondContact O-N 3.1Å |
| 78 | R | 63.8 | Low | 77.5 | Confident | 99 Ų | 99 | 44.7 Ų | 44.7 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -11.6 | -178.2 | -53.8 | -175.2 | 81.6 | -172.8 | 9.8 | 114.3 | V76 E256 A258 | V76-R78 PolarHBondContact O-N 3.33Å; R78-E256 PolarHBondContact NE-O 3.46Å; R78-E256 PolarHBondContact NH2-O 3.05Å; R78-A258 PolarHBondContact NH1-O 3.5Å; R78-A258 PolarHBondContact NH2-O 2.83Å |
| 79 | Q | 67.3 | Low | 77.2 | Confident | 174 Ų | 174 | 44.4 Ų | 44.4 | 81% | 0.813 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | -29.2 | -173.9 | -64.9 | -173.2 | -7.6 | 0 | 0 | 113.5 | V76 | V76-Q79 PolarHBondContact O-N 2.99Š|
| 80 | L | 71.4 | Confident | 77.2 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -113.7 | 117.7 | -172 | -64.8 | 169.5 | 0 | 0 | 0 | 110.3 | V76 V84 L88 | V76-L80 HydrophobicContact CG1-CB 4.09Å; V76-L80 HydrophobicContact CG1-CD1 4.04Å; V76-L80 PolarHBondContact O-N 3.03Å; L80-V84 HydrophobicContact CD2-CG1 3.88Å; L80-L88 HydrophobicContact CD1-CD2 4.1Å |
| 81 | T | 77.6 | Confident | 77.2 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 36% | 0.362 | 24% | 0.238 | S | C | . | . | trans | -59.4 | 142.5 | 171.9 | 69.1 | 0 | 0 | 0 | 0 | 109.9 | K83 V84 T85 | T81-K83 PolarHBondContact O-N 2.95Å; T81-V84 WeakPolarHBondContact O-CA 3.41Å; T81-V84 PolarHBondContact O-N 2.86Å; T81-T85 PolarHBondContact O-N 3.23Å | ||
| 82 | H | 78.6 | Confident | 77.3 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -41.5 | -42.4 | -178.6 | -59.6 | 100 | 0 | 0 | 0 | 114.5 | Y72 V84 T85 L86 Y129 | Y72-H82 PolarHBondContact OH-CD2 3.21Å; H82-V84 VanDerWaalsContact C-N 3.35Å; H82-V84 PolarHBondContact O-N 3.14Å; H82-T85 WeakPolarHBondContact O-CB 3.3Å; H82-T85 PolarHBondContact O-N 3.12Å; H82-L86 WeakPolarHBondContact O-CG 3.23Å; H82-L86 PolarHBondContact O-N 3.24Å; H82-L86 VanDerWaalsContact O-N 3.12Å; H82-Y129 HydrophobicContact CB-CD2 4.09Å |
| 83 | K | 84.6 | Confident | 77.6 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 177.6 | 172 | 160.8 | 168.1 | 150 | 0 | 113.6 | T81 L87 T240 L241 L244 R246 | T81-K83 PolarHBondContact O-N 2.95Å; K83-L87 HydrophobicContact CG-CD1 4.31Å; K83-L87 WeakPolarHBondContact O-CD1 3.49Å; K83-L87 VanDerWaalsContact O-CG 3.3Å; K83-L87 WeakPolarHBondContact O-CG 3.45Å; K83-L87 PolarHBondContact O-N 2.96Å; K83-T240 WeakPolarHBondContact CE-O 3.32Å; K83-T240 HydrophobicContact CG-CG2 4.14Å; K83-T240 PolarHBondContact NZ-O 3.07Å; K83-L241 PolarHBondContact NZ-O 3.01Å; K83-L244 WeakPolarHBondContact CD-O 2.88Å; K83-L244 PolarHBondContact NZ-O 2.87Å; K83-R246 HydrophobicContact CD-CG 4.29Å |
| 84 | V | 85.3 | Confident | 78.4 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 34% | 0.339 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -73.7 | -37.7 | 176.5 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | L80 T81 H82 L86 L87 L88 | L80-V84 HydrophobicContact CD2-CG1 3.88Å; T81-V84 WeakPolarHBondContact O-CA 3.41Å; T81-V84 PolarHBondContact O-N 2.86Å; H82-V84 VanDerWaalsContact C-N 3.35Å; H82-V84 PolarHBondContact O-N 3.14Å; V84-L86 VanDerWaalsContact C-N 3.33Å; V84-L86 PolarHBondContact O-N 2.72Å; V84-L87 PolarHBondContact O-N 3.36Å; V84-L88 WeakPolarHBondContact O-CB 3.33Å; V84-L88 PolarHBondContact O-N 3.43Å |
| 85 | T | 86.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.7 | -48.8 | 0 | 0 | 0 | 0 | 112.8 | Y72 V76 T81 H82 L88 T89 P121 A125 | Y72-T85 HydrophobicContact CE2-CG2 4.15Å; V76-T85 HydrophobicContact CG1-CG2 3.63Å; V76-T85 WeakPolarHBondContact CG1-OG1 3.44Å; T81-T85 PolarHBondContact O-N 3.23Å; H82-T85 WeakPolarHBondContact O-CB 3.3Å; H82-T85 PolarHBondContact O-N 3.12Å; T85-L88 PolarHBondContact O-N 3.27Å; T85-T89 PolarHBondContact O-OG1 3.36Å; T85-P121 HydrophobicContact CG2-CB 3.69Å; T85-P121 WeakPolarHBondContact CG2-O 3.48Å; T85-A125 HydrophobicContact CG2-CB 3.77Å |
| 86 | L | 86.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 174.6 | -64 | 170.1 | 0 | 0 | 0 | 111 | L26 H82 V84 L88 T89 Y90 Y122 L126 L244 | L26-L86 HydrophobicContact CD1-CD1 3.6Å; L26-L86 HydrophobicContact CD1-CD2 4.33Å; H82-L86 WeakPolarHBondContact O-CG 3.23Å; H82-L86 PolarHBondContact O-N 3.24Å; H82-L86 VanDerWaalsContact O-N 3.12Å; V84-L86 VanDerWaalsContact C-N 3.33Å; V84-L86 PolarHBondContact O-N 2.72Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 3.11Å; L86-T89 PolarHBondContact O-N 2.93Å; L86-T89 VanDerWaalsContact O-N 3.13Å; L86-Y90 PolarHBondContact O-N 3.13Å; L86-Y122 HydrophobicContact CD2-CD2 3.51Å; L86-Y122 HydrophobicContact CD2-CE2 3.79Å; L86-Y122 HydrophobicContact CD2-CG 4.39Å; L86-L126 HydrophobicContact CD2-CB 4.14Å; L86-L126 HydrophobicContact CD2-CD1 4.45Å; L86-L244 HydrophobicContact CD1-CD2 3.87Å |
| 87 | L | 89.2 | Confident | 80.3 | Confident | 25 Ų | 25 | 42.5 Ų | 42.5 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -37.5 | 178.3 | -67.7 | 166.2 | 0 | 0 | 0 | 112.9 | K83 V84 T89 Y90 V91 V237 T240 L241 | K83-L87 HydrophobicContact CG-CD1 4.31Å; K83-L87 WeakPolarHBondContact O-CD1 3.49Å; K83-L87 VanDerWaalsContact O-CG 3.3Å; K83-L87 WeakPolarHBondContact O-CG 3.45Å; K83-L87 PolarHBondContact O-N 2.96Å; V84-L87 PolarHBondContact O-N 3.36Å; L87-T89 PolarHBondContact O-N 3.05Å; L87-T89 VanDerWaalsContact O-N 3.12Å; L87-Y90 HydrophobicContact CD2-CD2 4.38Å; L87-Y90 PolarHBondContact O-N 3.35Å; L87-V91 PolarHBondContact O-N 3.4Å; L87-V91 VanDerWaalsContact O-N 3.14Å; L87-V237 HydrophobicContact CD2-CB 4.41Å; L87-V237 HydrophobicContact CD2-CG1 4.07Å; L87-V237 HydrophobicContact CD2-CG2 4.46Å; L87-T240 HydrophobicContact CD1-CG2 4.21Å; L87-T240 HydrophobicContact CD2-CG2 3.69Å; L87-T240 HydrophobicContact CG-CG2 3.7Å; L87-L241 HydrophobicContact CD1-CD2 3.59Å; L87-L241 HydrophobicContact CD1-CG 4.12Å; L87-L241 HydrophobicContact CD2-CD2 4.33Å; L87-L241 HydrophobicContact CD2-CG 3.95Å |
| 88 | L | 87.5 | Confident | 80.8 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 41% | 0.408 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.2 | -15.6 | 177.4 | -176.2 | 59.7 | 0 | 0 | 0 | 113.1 | L80 V84 T85 L86 P92 T118 | L80-L88 HydrophobicContact CD1-CD2 4.1Å; V84-L88 WeakPolarHBondContact O-CB 3.33Å; V84-L88 PolarHBondContact O-N 3.43Å; T85-L88 PolarHBondContact O-N 3.27Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 3.11Å; L88-P92 WeakPolarHBondContact O-CD 3.22Å; L88-P92 WeakPolarHBondContact O-CG 3.24Å; L88-T118 HydrophobicContact CG-CG2 4.11Å; L88-T118 WeakPolarHBondContact O-CG2 3.42Å |
| 89 | T | 86.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -97.7 | -34.9 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | Y33 T85 L86 L87 F93 T118 Y122 | Y33-T89 HydrophobicContact CE2-CG2 4.46Å; T85-T89 PolarHBondContact O-OG1 3.36Å; L86-T89 PolarHBondContact O-N 2.93Å; L86-T89 VanDerWaalsContact O-N 3.13Å; L87-T89 PolarHBondContact O-N 3.05Å; L87-T89 VanDerWaalsContact O-N 3.12Å; T89-F93 PolarHBondContact O-N 3.28Å; T89-T118 WeakPolarHBondContact OG1-CB 2.92Å; T89-T118 PolarHBondContact OG1-O 3.24Å; T89-Y122 HydrophobicContact CG2-CD2 4.44Å; T89-Y122 HydrophobicContact CG2-CG 4.15Å; T89-Y122 VanDerWaalsContact OG1-CB 3.28Å; T89-Y122 WeakPolarHBondContact OG1-CB 3.33Å |
| 90 | Y | 89 | Confident | 81.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 176.8 | -55.8 | -25.7 | 0 | 0 | 0 | 112.3 | S29 Y33 L86 L87 F93 M94 Y122 I233 S236 V237 | S29-Y90 WeakPolarHBondContact OG-CE2 3.37Å; S29-Y90 PolarHBondContact OG-OH 2.87Å; Y33-Y90 HydrophobicContact CD1-CD1 4.31Å; Y33-Y90 AromaticContact CD1-CE1 3.88Å; Y33-Y90 HydrophobicContact CD1-CE1 3.88Å; Y33-Y90 AromaticContact CD2-CD1 3.57Å; Y33-Y90 HydrophobicContact CD2-CD1 3.57Å; Y33-Y90 AromaticContact CD2-CE1 3.95Å; Y33-Y90 HydrophobicContact CD2-CE1 3.95Å; Y33-Y90 HydrophobicContact CE2-CD1 4.12Å; Y33-Y90 AromaticContact CG-CD1 3.68Å; Y33-Y90 HydrophobicContact CG-CD1 3.68Å; Y33-Y90 AromaticContact CG-CE1 3.54Å; Y33-Y90 HydrophobicContact CG-CE1 3.54Å; L86-Y90 PolarHBondContact O-N 3.13Å; L87-Y90 HydrophobicContact CD2-CD2 4.38Å; L87-Y90 PolarHBondContact O-N 3.35Å; Y90-F93 PolarHBondContact O-N 3.47Å; Y90-M94 PolarHBondContact O-N 3.11Å; Y90-Y122 HydrophobicContact CE1-CD2 4.13Å; Y90-Y122 AromaticContact CE1-CE2 3.61Å; Y90-Y122 HydrophobicContact CE1-CE2 3.61Å; Y90-I233 WeakPolarHBondContact O-CG2 3.49Å; Y90-S236 VanDerWaalsContact CE2-OG 3.32Å; Y90-S236 WeakPolarHBondContact CE2-OG 3.42Å; Y90-V237 HydrophobicContact CD2-CG2 3.99Å; Y90-V237 HydrophobicContact CG-CG2 4.26Å |
| 91 | V | 86 | Confident | 81.4 | Confident | 84 Ų | 84 | 30.1 Ų | 30.1 | 51% | 0.509 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67 | -49 | -177.8 | 172.6 | 0 | 0 | 0 | 0 | 112.7 | L87 F93 M94 | L87-V91 PolarHBondContact O-N 3.4Å; L87-V91 VanDerWaalsContact O-N 3.14Å; V91-F93 VanDerWaalsContact C-N 3.27Å; V91-F93 PolarHBondContact O-N 3.5Å; V91-M94 VanDerWaalsContact O-CB 3.26Å; V91-M94 WeakPolarHBondContact O-CB 3.48Å; V91-M94 PolarHBondContact O-N 3.29Å |
| 92 | P | 83.7 | Confident | 81 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -23.7 | 176.3 | -21.5 | 34.7 | 0 | 0 | 0 | 114 | L88 M94 L95 F96 V114 T118 | L88-P92 WeakPolarHBondContact O-CD 3.22Å; L88-P92 WeakPolarHBondContact O-CG 3.24Å; P92-M94 PolarHBondContact O-N 2.86Å; P92-L95 WeakPolarHBondContact O-CA 3.33Å; P92-L95 WeakPolarHBondContact O-CB 3.3Å; P92-L95 PolarHBondContact O-N 3.43Å; P92-F96 PolarHBondContact O-N 3.4Å; P92-V114 HydrophobicContact CB-CG1 3.72Å; P92-V114 HydrophobicContact CG-CG1 4.27Å; P92-T118 HydrophobicContact CG-CG2 4.25Å |
| 93 | F | 83.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -28.8 | 173.4 | -169.9 | -102.3 | 0 | 0 | 0 | 112.3 | Y33 C36 I37 L40 T89 Y90 V91 L95 F96 I115 I233 | Y33-F93 HydrophobicContact CD2-CD1 4.3Å; Y33-F93 HydrophobicContact CD2-CG 4.44Å; Y33-F93 HydrophobicContact CE2-CB 4.02Å; Y33-F93 HydrophobicContact CE2-CD1 4.16Å; Y33-F93 HydrophobicContact CE2-CD2 4.3Å; Y33-F93 AromaticContact CE2-CG 3.87Å; Y33-F93 HydrophobicContact CE2-CG 3.87Å; C36-F93 HydrophobicContact CB-CE1 3.58Å; C36-F93 HydrophobicContact CB-CZ 4.26Å; I37-F93 HydrophobicContact CB-CD2 4.42Å; I37-F93 HydrophobicContact CB-CE1 4.33Å; I37-F93 HydrophobicContact CB-CE2 3.66Å; I37-F93 HydrophobicContact CB-CZ 3.62Å; I37-F93 HydrophobicContact CD1-CD2 4.06Å; I37-F93 HydrophobicContact CD1-CE2 3.81Å; I37-F93 HydrophobicContact CG1-CD2 4.36Å; I37-F93 HydrophobicContact CG1-CE2 3.62Å; I37-F93 HydrophobicContact CG1-CZ 4.07Å; L40-F93 HydrophobicContact CD2-CE2 4.15Å; L40-F93 HydrophobicContact CD2-CZ 3.68Å; T89-F93 PolarHBondContact O-N 3.28Å; Y90-F93 PolarHBondContact O-N 3.47Å; V91-F93 VanDerWaalsContact C-N 3.27Å; V91-F93 PolarHBondContact O-N 3.5Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 3.34Å; F93-F96 HydrophobicContact CD2-CD1 4.41Å; F93-F96 AromaticContact CE2-CD1 3.93Å; F93-F96 HydrophobicContact CE2-CD1 3.93Å; F93-F96 HydrophobicContact CE2-CE1 4.47Å; F93-F96 PolarHBondContact O-N 3.13Å; F93-I115 HydrophobicContact CD2-CD1 3.61Å; F93-I115 HydrophobicContact CD2-CG1 4.31Å; F93-I115 HydrophobicContact CE2-CD1 4.16Å; F93-I233 HydrophobicContact CD1-CD1 3.43Å; F93-I233 VanDerWaalsContact CD1-CD1 3.43Å; F93-I233 HydrophobicContact CD1-CG1 3.91Å; F93-I233 HydrophobicContact CE1-CD1 3.68Å; F93-I233 HydrophobicContact CE1-CG1 4.24Å |
| 94 | M | 82.2 | Confident | 80.3 | Confident | 36 Ų | 36 | 39 Ų | 39 | 18% | 0.177 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -38.6 | 167.2 | -62 | -73 | -147.4 | 0 | 0 | 112.5 | Y90 V91 P92 F96 P98 F230 I233 | Y90-M94 PolarHBondContact O-N 3.11Å; V91-M94 VanDerWaalsContact O-CB 3.26Å; V91-M94 WeakPolarHBondContact O-CB 3.48Å; V91-M94 PolarHBondContact O-N 3.29Å; P92-M94 PolarHBondContact O-N 2.86Å; M94-F96 VanDerWaalsContact C-N 3.29Å; M94-F96 PolarHBondContact O-N 3.38Å; M94-P98 WeakPolarHBondContact O-CD 3.38Å; M94-F230 HydrophobicContact CB-CE1 3.9Å; M94-F230 HydrophobicContact CB-CZ 4.04Å; M94-F230 HydrophobicContact CE-CD1 4.07Å; M94-F230 HydrophobicContact CG-CE1 4.31Å; M94-F230 VanDerWaalsContact O-CZ 3.24Å; M94-F230 WeakPolarHBondContact O-CZ 3.39Å; M94-F230 HydrophobicContact SD-CB 4.36Å; M94-F230 HydrophobicContact SD-CD1 3.46Å; M94-F230 WeakPolarHBondContact SD-CD1 3.09Å; M94-F230 HydrophobicContact SD-CD2 4.39Å; M94-F230 HydrophobicContact SD-CE1 3.72Å; M94-F230 HydrophobicContact SD-CG 3.83Å; M94-F230 HydrophobicContact SD-CZ 4.29Å; M94-I233 HydrophobicContact CE-CB 3.73Å; M94-I233 HydrophobicContact CE-CG2 3.8Å; M94-I233 HydrophobicContact CG-CG2 3.96Å; M94-I233 HydrophobicContact SD-CB 3.61Å; M94-I233 HydrophobicContact SD-CD1 3.74Å; M94-I233 HydrophobicContact SD-CG1 4.33Å; M94-I233 HydrophobicContact SD-CG2 3.7Å |
| 95 | L | 77.4 | Confident | 80.1 | Confident | 120 Ų | 120 | 41 Ų | 41 | 63% | 0.628 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -72.9 | -22.5 | -178.1 | -55.8 | 177.2 | 0 | 0 | 0 | 112.7 | P92 F93 P98 | P92-L95 WeakPolarHBondContact O-CA 3.33Å; P92-L95 WeakPolarHBondContact O-CB 3.3Å; P92-L95 PolarHBondContact O-N 3.43Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 3.34Å; L95-P98 WeakPolarHBondContact O-CD 3.43Å |
| 96 | F | 78.1 | Confident | 80 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -78.3 | -29 | 178.1 | 180 | -108.1 | 0 | 0 | 0 | 113.7 | L40 L44 P92 F93 M94 G99 V100 L108 A111 A112 I115 | L40-F96 HydrophobicContact CD2-CD1 3.63Å; L40-F96 HydrophobicContact CD2-CE1 3.68Å; L40-F96 HydrophobicContact CG-CE1 4.23Å; L44-F96 HydrophobicContact CD2-CE1 4.45Å; L44-F96 HydrophobicContact CD2-CZ 3.77Å; P92-F96 PolarHBondContact O-N 3.4Å; F93-F96 HydrophobicContact CD2-CD1 4.41Å; F93-F96 AromaticContact CE2-CD1 3.93Å; F93-F96 HydrophobicContact CE2-CD1 3.93Å; F93-F96 HydrophobicContact CE2-CE1 4.47Å; F93-F96 PolarHBondContact O-N 3.13Å; M94-F96 VanDerWaalsContact C-N 3.29Å; M94-F96 PolarHBondContact O-N 3.38Å; F96-G99 CarbonylContact O-C 3.44Å; F96-G99 WeakPolarHBondContact O-CA 3.11Å; F96-G99 PolarHBondContact O-N 3.12Å; F96-V100 HydrophobicContact CD1-CG2 3.87Å; F96-V100 HydrophobicContact CD2-CG2 4.48Å; F96-V100 HydrophobicContact CE1-CG2 3.45Å; F96-V100 VanDerWaalsContact CE1-CG2 3.45Å; F96-V100 HydrophobicContact CE2-CG2 4.13Å; F96-V100 HydrophobicContact CG-CG2 4.37Å; F96-V100 HydrophobicContact CZ-CG2 3.6Å; F96-V100 PolarHBondContact O-N 3.45Å; F96-L108 HydrophobicContact CE2-CD1 3.76Å; F96-L108 HydrophobicContact CZ-CD1 4.18Å; F96-A111 HydrophobicContact CB-CB 4.34Å; F96-A111 HydrophobicContact CD2-CB 3.73Å; F96-A112 HydrophobicContact CE2-CB 4.36Å; F96-I115 HydrophobicContact CB-CD1 3.33Å; F96-I115 HydrophobicContact CB-CG1 4.27Å; F96-I115 HydrophobicContact CD1-CD1 3.58Å; F96-I115 HydrophobicContact CD2-CD1 3.61Å; F96-I115 HydrophobicContact CE1-CD1 4.2Å; F96-I115 HydrophobicContact CE2-CD1 4.24Å; F96-I115 HydrophobicContact CG-CD1 3.24Å |
| 97 | I | 78.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.7 | -50.1 | 176.9 | -70.5 | 162.2 | 0 | 0 | 0 | 111.6 | L40 G99 V100 I101 F226 F230 I233 | L40-I97 HydrophobicContact CD2-CG1 4.18Å; I97-G99 VanDerWaalsContact C-N 3.28Å; I97-G99 PolarHBondContact O-N 3.42Å; I97-V100 PolarHBondContact O-N 2.85Å; I97-I101 HydrophobicContact CG2-CD1 3.65Å; I97-I101 HydrophobicContact CG2-CG1 4.48Å; I97-I101 WeakPolarHBondContact O-CG1 3.18Å; I97-I101 PolarHBondContact O-N 2.9Å; I97-F226 HydrophobicContact CG2-CD2 4.07Å; I97-F230 HydrophobicContact CB-CE2 3.86Å; I97-F230 HydrophobicContact CD1-CD2 3.92Å; I97-F230 HydrophobicContact CD1-CE2 3.89Å; I97-F230 HydrophobicContact CG2-CD2 4.28Å; I97-F230 HydrophobicContact CG2-CE2 3.81Å; I97-I233 HydrophobicContact CD1-CD1 3.39Å |
| 98 | P | 72.9 | Confident | 79.7 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 24% | 0.24 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.6 | -42.3 | 168 | -27.4 | 33 | 0 | 0 | 0 | 113.9 | M94 L95 V100 I101 Y102 F226 | M94-P98 WeakPolarHBondContact O-CD 3.38Å; L95-P98 WeakPolarHBondContact O-CD 3.43Å; P98-V100 VanDerWaalsContact C-N 3.34Å; P98-V100 PolarHBondContact O-N 3.41Å; P98-I101 PolarHBondContact O-N 3Å; P98-Y102 HydrophobicContact CB-CD2 4.23Å; P98-Y102 HydrophobicContact CB-CE2 4.27Å; P98-Y102 WeakPolarHBondContact O-CD2 3.47Å; P98-Y102 PolarHBondContact O-N 3.39Å; P98-F226 HydrophobicContact CG-CE2 4.29Å |
| 99 | G | 72.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -36.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | F96 I97 | F96-G99 CarbonylContact O-C 3.44Å; F96-G99 WeakPolarHBondContact O-CA 3.11Å; F96-G99 PolarHBondContact O-N 3.12Å; I97-G99 VanDerWaalsContact C-N 3.28Å; I97-G99 PolarHBondContact O-N 3.42Å |
| 100 | V | 73.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.7 | -46.9 | 172.2 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | L40 L44 F96 I97 P98 Y103 L108 W214 | L40-V100 HydrophobicContact CD1-CB 4.16Å; L40-V100 HydrophobicContact CD1-CG1 3.82Å; L40-V100 HydrophobicContact CD1-CG2 4.21Å; L40-V100 HydrophobicContact CD2-CG2 4.21Å; L40-V100 HydrophobicContact CG-CG2 4.22Å; L44-V100 HydrophobicContact CD1-CG1 4.34Å; L44-V100 HydrophobicContact CD2-CG2 4.09Å; F96-V100 HydrophobicContact CD1-CG2 3.87Å; F96-V100 HydrophobicContact CD2-CG2 4.48Å; F96-V100 HydrophobicContact CE1-CG2 3.45Å; F96-V100 VanDerWaalsContact CE1-CG2 3.45Å; F96-V100 HydrophobicContact CE2-CG2 4.13Å; F96-V100 HydrophobicContact CG-CG2 4.37Å; F96-V100 HydrophobicContact CZ-CG2 3.6Å; F96-V100 PolarHBondContact O-N 3.45Å; I97-V100 PolarHBondContact O-N 2.85Å; P98-V100 VanDerWaalsContact C-N 3.34Å; P98-V100 PolarHBondContact O-N 3.41Å; V100-Y103 PolarHBondContact O-N 3.22Å; V100-L108 HydrophobicContact CG2-CD1 3.96Å; V100-W214 HydrophobicContact CG1-CD2 4.31Å; V100-W214 HydrophobicContact CG1-CH2 4.28Å; V100-W214 HydrophobicContact CG1-CZ2 4.04Å |
| 101 | I | 68.8 | Low | 79.9 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | -176.4 | -68 | 168.3 | 0 | 0 | 0 | 112.1 | I97 P98 Y103 P222 F226 | I97-I101 HydrophobicContact CG2-CD1 3.65Å; I97-I101 HydrophobicContact CG2-CG1 4.48Å; I97-I101 WeakPolarHBondContact O-CG1 3.18Å; I97-I101 PolarHBondContact O-N 2.9Å; P98-I101 PolarHBondContact O-N 3Å; I101-Y103 PolarHBondContact O-N 3.25Å; I101-P222 HydrophobicContact CG2-CB 4.41Å; I101-F226 HydrophobicContact CD1-CB 4.4Å; I101-F226 HydrophobicContact CD1-CD2 4.09Å |
| 102 | Y | 70.4 | Confident | 80.1 | Confident | 156 Ų | 156 | 48.8 Ų | 48.8 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.2 | 179.8 | -72.2 | -61.3 | 0 | 0 | 0 | 113.8 | P98 K104 | P98-Y102 HydrophobicContact CB-CD2 4.23Å; P98-Y102 HydrophobicContact CB-CE2 4.27Å; P98-Y102 WeakPolarHBondContact O-CD2 3.47Å; P98-Y102 PolarHBondContact O-N 3.39Å; Y102-K104 VanDerWaalsContact C-N 3.31Å; Y102-K104 WeakPolarHBondContact O-CG 3.18Å; Y102-K104 PolarHBondContact O-N 3.16Å |
| 103 | Y | 71.5 | Confident | 80.5 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 18% | 0.184 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.2 | 53 | 179.7 | -159.5 | -93.5 | 0 | 0 | 0 | 113.6 | L44 D49 V100 I101 L108 | L44-Y103 HydrophobicContact CD1-CE2 4.3Å; D49-Y103 PolarHBondContact OD1-OH 2.86Å; D49-Y103 PolarHBondContact OD2-OH 3.43Å; D49-Y103 VanDerWaalsContact OD2-OH 3.1Å; V100-Y103 PolarHBondContact O-N 3.22Å; I101-Y103 PolarHBondContact O-N 3.25Å; Y103-L108 HydrophobicContact CE2-CD2 4.22Å |
| 104 | K | 77.3 | Confident | 81 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 43% | 0.426 | 27% | 0.265 | S | S | . | . | trans | -110.1 | 124.8 | 175.4 | -63.1 | -57.4 | -178.3 | -175 | 0 | 109.9 | Y102 Y106 V107 L108 | Y102-K104 VanDerWaalsContact C-N 3.31Å; Y102-K104 WeakPolarHBondContact O-CG 3.18Å; Y102-K104 PolarHBondContact O-N 3.16Å; K104-Y106 HydrophobicContact CB-CD1 4.34Å; K104-Y106 HydrophobicContact CB-CD2 4.29Å; K104-Y106 HydrophobicContact CB-CE1 4Å; K104-Y106 HydrophobicContact CB-CE2 3.92Å; K104-Y106 HydrophobicContact CB-CG 4.48Å; K104-Y106 HydrophobicContact CD-CE1 4.34Å; K104-Y106 HydrophobicContact CG-CE1 4.3Å; K104-Y106 HydrophobicContact CG-CE2 4.25Å; K104-Y106 PolarHBondContact O-N 2.87Å; K104-Y106 VanDerWaalsContact O-N 3.12Å; K104-V107 HydrophobicContact CB-CB 4.4Å; K104-V107 HydrophobicContact CB-CG2 3.95Å; K104-V107 PolarHBondContact O-N 2.75Å; K104-L108 PolarHBondContact O-N 2.9Å | ||
| 105 | H | 80.7 | Confident | 81.4 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -41.3 | -49.2 | 175.5 | -53.5 | 84.5 | 0 | 0 | 0 | 113.3 | V53 V107 L109 | V53-H105 VanDerWaalsContact CG2-CD2 3.5Å; V53-H105 WeakPolarHBondContact CG2-CD2 3.44Å; H105-V107 VanDerWaalsContact C-N 3.28Å; H105-V107 PolarHBondContact O-N 3.01Å; H105-L109 WeakPolarHBondContact O-CB 3.42Å; H105-L109 PolarHBondContact O-N 3.29Å; H105-L109 VanDerWaalsContact O-N 3.09Å |
| 106 | Y | 83.2 | Confident | 82.1 | Confident | 170 Ų | 170 | 46.8 Ų | 46.8 | 67% | 0.667 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -75.9 | -6.1 | -177.1 | 58.1 | -104.9 | 0 | 0 | 0 | 115 | K104 P110 | K104-Y106 HydrophobicContact CB-CD1 4.34Å; K104-Y106 HydrophobicContact CB-CD2 4.29Å; K104-Y106 HydrophobicContact CB-CE1 4Å; K104-Y106 HydrophobicContact CB-CE2 3.92Å; K104-Y106 HydrophobicContact CB-CG 4.48Å; K104-Y106 HydrophobicContact CD-CE1 4.34Å; K104-Y106 HydrophobicContact CG-CE1 4.3Å; K104-Y106 HydrophobicContact CG-CE2 4.25Å; K104-Y106 PolarHBondContact O-N 2.87Å; K104-Y106 VanDerWaalsContact O-N 3.12Å; Y106-P110 WeakPolarHBondContact O-CD 3.32Å; Y106-P110 WeakPolarHBondContact O-CG 3.31Å |
| 107 | V | 85.9 | Confident | 82.8 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 30% | 0.303 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -105.1 | -44.4 | 170.8 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | K104 H105 A111 | K104-V107 HydrophobicContact CB-CB 4.4Å; K104-V107 HydrophobicContact CB-CG2 3.95Å; K104-V107 PolarHBondContact O-N 2.75Å; H105-V107 VanDerWaalsContact C-N 3.28Å; H105-V107 PolarHBondContact O-N 3.01Å; V107-A111 VanDerWaalsContact O-CB 3.23Å; V107-A111 WeakPolarHBondContact O-CB 3.34Å; V107-A111 PolarHBondContact O-N 2.89Å |
| 108 | L | 84 | Confident | 83.3 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | -177.4 | -173.2 | 66.5 | 0 | 0 | 0 | 112.4 | L44 V53 A57 F96 V100 Y103 K104 A112 | L44-L108 HydrophobicContact CD1-CD2 4.26Å; L44-L108 HydrophobicContact CD2-CD1 4.2Å; V53-L108 HydrophobicContact CG1-CD2 4.49Å; A57-L108 HydrophobicContact CB-CD2 4.13Å; A57-L108 HydrophobicContact CB-CG 4.02Å; F96-L108 HydrophobicContact CE2-CD1 3.76Å; F96-L108 HydrophobicContact CZ-CD1 4.18Å; V100-L108 HydrophobicContact CG2-CD1 3.96Å; Y103-L108 HydrophobicContact CE2-CD2 4.22Å; K104-L108 PolarHBondContact O-N 2.9Å; L108-A112 VanDerWaalsContact O-CB 3.24Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 3.21Å |
| 109 | L | 88.4 | Confident | 84.2 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67 | -48.8 | -178.7 | -70.9 | 167.7 | 0 | 0 | 0 | 112.6 | I56 A57 L60 H105 A111 A112 I113 | I56-L109 HydrophobicContact CG2-CD2 4.24Å; A57-L109 HydrophobicContact CB-CD2 3.89Å; L60-L109 HydrophobicContact CD2-CD2 4.28Å; H105-L109 WeakPolarHBondContact O-CB 3.42Å; H105-L109 PolarHBondContact O-N 3.29Å; H105-L109 VanDerWaalsContact O-N 3.09Å; L109-A111 PolarHBondContact O-N 3.2Å; L109-A112 PolarHBondContact O-N 3.12Å; L109-I113 WeakPolarHBondContact O-CG1 3.46Å; L109-I113 PolarHBondContact O-N 3.34Å; L109-I113 VanDerWaalsContact O-N 3.1Å |
| 110 | P | 90.7 | Very high | 85 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 42% | 0.416 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61 | -42.4 | 173.4 | -27.1 | 37.8 | 0 | 0 | 0 | 113.4 | Y106 A112 I113 V114 | Y106-P110 WeakPolarHBondContact O-CD 3.32Å; Y106-P110 WeakPolarHBondContact O-CG 3.31Å; P110-A112 VanDerWaalsContact C-N 3.32Å; P110-A112 PolarHBondContact O-N 3.34Å; P110-I113 WeakPolarHBondContact O-CB 3.27Å; P110-I113 PolarHBondContact O-N 2.92Å; P110-V114 WeakPolarHBondContact O-CG2 3.48Å; P110-V114 PolarHBondContact O-N 3.06Å |
| 111 | A | 88.6 | Confident | 85.7 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -34.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F96 V107 L109 V114 I115 | F96-A111 HydrophobicContact CB-CB 4.34Å; F96-A111 HydrophobicContact CD2-CB 3.73Å; V107-A111 VanDerWaalsContact O-CB 3.23Å; V107-A111 WeakPolarHBondContact O-CB 3.34Å; V107-A111 PolarHBondContact O-N 2.89Å; L109-A111 PolarHBondContact O-N 3.2Å; A111-V114 PolarHBondContact O-N 3.03Å; A111-I115 PolarHBondContact O-N 3.05Å |
| 112 | A | 90.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A57 L61 F96 L108 L109 P110 G116 | A57-A112 HydrophobicContact CB-CB 4.11Å; A57-A112 WeakPolarHBondContact O-CB 3.28Å; L61-A112 HydrophobicContact CB-CB 4.21Å; F96-A112 HydrophobicContact CE2-CB 4.36Å; L108-A112 VanDerWaalsContact O-CB 3.24Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 3.21Å; L109-A112 PolarHBondContact O-N 3.12Å; P110-A112 VanDerWaalsContact C-N 3.32Å; P110-A112 PolarHBondContact O-N 3.34Å; A112-G116 PolarHBondContact O-N 3.2Å |
| 113 | I | 92.9 | Very high | 87.6 | Confident | 64 Ų | 64 | 42.4 Ų | 42.4 | 33% | 0.328 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 173.2 | -64.9 | 164.4 | 0 | 0 | 0 | 110.5 | L60 V64 L109 P110 I115 G116 L117 | L60-I113 HydrophobicContact CD2-CD1 3.93Å; L60-I113 HydrophobicContact CD2-CG1 3.59Å; L60-I113 HydrophobicContact CG-CG1 3.95Å; V64-I113 HydrophobicContact CG1-CG2 4.45Å; L109-I113 WeakPolarHBondContact O-CG1 3.46Å; L109-I113 PolarHBondContact O-N 3.34Å; L109-I113 VanDerWaalsContact O-N 3.1Å; P110-I113 WeakPolarHBondContact O-CB 3.27Å; P110-I113 PolarHBondContact O-N 2.92Å; I113-I115 PolarHBondContact O-N 3.46Å; I113-G116 PolarHBondContact O-N 3.43Å; I113-G116 VanDerWaalsContact O-N 3.12Å; I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 HydrophobicContact CG2-CG 4.39Å; I113-L117 WeakPolarHBondContact O-CG 3.46Å; I113-L117 PolarHBondContact O-N 3.34Å |
| 114 | V | 92.2 | Very high | 88.4 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 39% | 0.394 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -41.6 | -177.7 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | P92 P110 A111 L117 T118 | P92-V114 HydrophobicContact CB-CG1 3.72Å; P92-V114 HydrophobicContact CG-CG1 4.27Å; P110-V114 WeakPolarHBondContact O-CG2 3.48Å; P110-V114 PolarHBondContact O-N 3.06Å; A111-V114 PolarHBondContact O-N 3.03Å; V114-L117 PolarHBondContact O-N 2.88Å; V114-T118 PolarHBondContact O-N 3.38Å; V114-T118 PolarHBondContact O-OG1 2.79Å |
| 115 | I | 91.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 170.4 | -70.4 | 166.3 | 0 | 0 | 0 | 110.5 | L61 F93 F96 A111 I113 L117 T118 Q119 | L61-I115 HydrophobicContact CD1-CB 4.04Å; L61-I115 HydrophobicContact CD1-CD1 4.35Å; L61-I115 HydrophobicContact CD1-CG2 3.83Å; L61-I115 HydrophobicContact CD2-CG2 4.29Å; L61-I115 HydrophobicContact CG-CB 4.32Å; L61-I115 HydrophobicContact CG-CG2 4.04Å; F93-I115 HydrophobicContact CD2-CD1 3.61Å; F93-I115 HydrophobicContact CD2-CG1 4.31Å; F93-I115 HydrophobicContact CE2-CD1 4.16Å; F96-I115 HydrophobicContact CB-CD1 3.33Å; F96-I115 HydrophobicContact CB-CG1 4.27Å; F96-I115 HydrophobicContact CD1-CD1 3.58Å; F96-I115 HydrophobicContact CD2-CD1 3.61Å; F96-I115 HydrophobicContact CE1-CD1 4.2Å; F96-I115 HydrophobicContact CE2-CD1 4.24Å; F96-I115 HydrophobicContact CG-CD1 3.24Å; A111-I115 PolarHBondContact O-N 3.05Å; I113-I115 PolarHBondContact O-N 3.46Å; I115-L117 PolarHBondContact O-N 3.29Å; I115-T118 PolarHBondContact O-N 3.29Å; I115-T118 PolarHBondContact O-OG1 2.92Å; I115-Q119 HydrophobicContact CG2-CB 4.1Å; I115-Q119 WeakPolarHBondContact O-CB 3.38Å; I115-Q119 PolarHBondContact O-N 3.07Å |
| 116 | G | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55 | -39.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L61 V64 S65 S68 A112 I113 T118 | L61-G116 WeakPolarHBondContact O-CA 3.47Å; V64-G116 CarbonylContact C-O 3.57Å; S65-G116 WeakPolarHBondContact CA-O 3.41Å; S65-G116 PolarHBondContact N-O 3.32Å; S68-G116 PolarHBondContact OG-O 3.28Å; A112-G116 PolarHBondContact O-N 3.2Å; I113-G116 PolarHBondContact O-N 3.43Å; I113-G116 VanDerWaalsContact O-N 3.12Å; G116-T118 VanDerWaalsContact C-N 3.28Å; G116-T118 PolarHBondContact O-N 3.07Å |
| 117 | L | 92 | Very high | 89.5 | Confident | 97 Ų | 97 | 23.9 Ų | 23.9 | 51% | 0.508 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.1 | -28.3 | 178 | -72.6 | 173.8 | 0 | 0 | 0 | 113.3 | V64 S68 I113 V114 I115 P121 | V64-L117 HydrophobicContact CG1-CB 4.44Å; V64-L117 HydrophobicContact CG1-CD2 3.63Å; V64-L117 HydrophobicContact CG1-CG 3.69Å; S68-L117 WeakPolarHBondContact CB-O 3.42Å; I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 HydrophobicContact CG2-CG 4.39Å; I113-L117 WeakPolarHBondContact O-CG 3.46Å; I113-L117 PolarHBondContact O-N 3.34Å; V114-L117 PolarHBondContact O-N 2.88Å; I115-L117 PolarHBondContact O-N 3.29Å; L117-P121 WeakPolarHBondContact O-CD 3.15Å; L117-P121 WeakPolarHBondContact O-CG 3.5Å |
| 118 | T | 90.2 | Very high | 89.5 | Confident | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.086 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -100.9 | -33.1 | -177.4 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | L88 T89 P92 V114 I115 G116 G120 P121 Y122 | L88-T118 HydrophobicContact CG-CG2 4.11Å; L88-T118 WeakPolarHBondContact O-CG2 3.42Å; T89-T118 WeakPolarHBondContact OG1-CB 2.92Å; T89-T118 PolarHBondContact OG1-O 3.24Å; P92-T118 HydrophobicContact CG-CG2 4.25Å; V114-T118 PolarHBondContact O-N 3.38Å; V114-T118 PolarHBondContact O-OG1 2.79Å; I115-T118 PolarHBondContact O-N 3.29Å; I115-T118 PolarHBondContact O-OG1 2.92Å; G116-T118 VanDerWaalsContact C-N 3.28Å; G116-T118 PolarHBondContact O-N 3.07Å; T118-G120 PolarHBondContact O-N 3.47Å; T118-P121 WeakPolarHBondContact O-CB 3.32Å; T118-P121 VanDerWaalsContact O-CD 3.31Å; T118-P121 WeakPolarHBondContact O-CD 3.45Å; T118-Y122 PolarHBondContact O-N 3.21Å |
| 119 | Q | 91 | Very high | 89.7 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -41 | -174.7 | -175.4 | -179 | -95.2 | 0 | 0 | 113.1 | S65 I115 Y122 F123 | S65-Q119 PolarHBondContact OG-NE2 3.37Å; I115-Q119 HydrophobicContact CG2-CB 4.1Å; I115-Q119 WeakPolarHBondContact O-CB 3.38Å; I115-Q119 PolarHBondContact O-N 3.07Å; Q119-Y122 WeakPolarHBondContact O-CB 3.21Å; Q119-Y122 PolarHBondContact O-N 3.28Å; Q119-F123 HydrophobicContact CG-CD2 3.97Å; Q119-F123 HydrophobicContact CG-CE2 3.68Å; Q119-F123 VanDerWaalsContact O-CD2 3.26Å; Q119-F123 WeakPolarHBondContact O-CD2 3.41Å; Q119-F123 PolarHBondContact O-N 3.24Å; Q119-F123 VanDerWaalsContact O-N 3.12Å |
| 120 | G | 89.7 | Confident | 89.8 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.5 | -54.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S65 S69 T118 Y122 F123 N124 | S65-G120 PolarHBondContact OG-N 3.1Å; S69-G120 WeakPolarHBondContact OG-CA 3.19Å; T118-G120 PolarHBondContact O-N 3.47Å; G120-Y122 VanDerWaalsContact C-N 3.26Å; G120-Y122 PolarHBondContact O-N 3.26Å; G120-F123 PolarHBondContact O-N 3.31Å; G120-F123 VanDerWaalsContact O-N 3.17Å; G120-N124 PolarHBondContact O-N 3.33Å; G120-N124 VanDerWaalsContact O-N 3.12Å |
| 121 | P | 89 | Confident | 89.6 | Confident | 8 Ų | 8 | 16.8 Ų | 16.8 | 5% | 0.052 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -50.5 | -38.5 | 169.1 | -33.4 | 37.3 | 0 | 0 | 0 | 114.9 | S68 Y72 V76 T85 L117 T118 A125 | S68-P121 VanDerWaalsContact OG-CD 3.31Å; S68-P121 WeakPolarHBondContact OG-CD 3.36Å; Y72-P121 HydrophobicContact CD2-CB 3.88Å; V76-P121 HydrophobicContact CG1-CB 4.42Å; V76-P121 HydrophobicContact CG2-CB 4.22Å; V76-P121 HydrophobicContact CG2-CG 4.16Å; T85-P121 HydrophobicContact CG2-CB 3.69Å; T85-P121 WeakPolarHBondContact CG2-O 3.48Å; L117-P121 WeakPolarHBondContact O-CD 3.15Å; L117-P121 WeakPolarHBondContact O-CG 3.5Å; T118-P121 WeakPolarHBondContact O-CB 3.32Å; T118-P121 VanDerWaalsContact O-CD 3.31Å; T118-P121 WeakPolarHBondContact O-CD 3.45Å; P121-A125 WeakPolarHBondContact O-CB 3.37Å; P121-A125 PolarHBondContact O-N 3.33Å |
| 122 | Y | 90.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.4 | -51 | 174.5 | 158.4 | -87.1 | 0 | 0 | 0 | 112.3 | S30 Y33 L86 T89 Y90 T118 Q119 G120 N124 A125 L126 | S30-Y122 PolarHBondContact OG-OH 3.07Å; Y33-Y122 HydrophobicContact CD1-CE1 4.39Å; Y33-Y122 HydrophobicContact CD1-CE2 4.23Å; Y33-Y122 AromaticContact CD1-CZ 3.84Å; Y33-Y122 HydrophobicContact CE1-CD1 4.47Å; Y33-Y122 AromaticContact CE1-CE1 3.93Å; Y33-Y122 HydrophobicContact CE1-CE1 3.93Å; Y33-Y122 HydrophobicContact CE1-CE2 4.29Å; Y33-Y122 AromaticContact CE1-CZ 3.83Å; L86-Y122 HydrophobicContact CD2-CD2 3.51Å; L86-Y122 HydrophobicContact CD2-CE2 3.79Å; L86-Y122 HydrophobicContact CD2-CG 4.39Å; T89-Y122 HydrophobicContact CG2-CD2 4.44Å; T89-Y122 HydrophobicContact CG2-CG 4.15Å; T89-Y122 VanDerWaalsContact OG1-CB 3.28Å; T89-Y122 WeakPolarHBondContact OG1-CB 3.33Å; Y90-Y122 HydrophobicContact CE1-CD2 4.13Å; Y90-Y122 AromaticContact CE1-CE2 3.61Å; Y90-Y122 HydrophobicContact CE1-CE2 3.61Å; T118-Y122 PolarHBondContact O-N 3.21Å; Q119-Y122 WeakPolarHBondContact O-CB 3.21Å; Q119-Y122 PolarHBondContact O-N 3.28Å; G120-Y122 VanDerWaalsContact C-N 3.26Å; G120-Y122 PolarHBondContact O-N 3.26Å; Y122-N124 PolarHBondContact O-N 2.74Å; Y122-A125 PolarHBondContact O-N 3.09Å; Y122-L126 HydrophobicContact CE1-CD1 4.08Å; Y122-L126 HydrophobicContact CE2-CD1 3.97Å; Y122-L126 WeakPolarHBondContact O-CB 3.36Å; Y122-L126 PolarHBondContact O-N 3.14Å |
| 123 | F | 88.5 | Confident | 89.4 | Confident | 41 Ų | 41 | 16.8 Ų | 16.8 | 18% | 0.18 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | -179 | -79.1 | -71.7 | 0 | 0 | 0 | 111.9 | Q119 G120 L126 Y127 H407 | Q119-F123 HydrophobicContact CG-CD2 3.97Å; Q119-F123 HydrophobicContact CG-CE2 3.68Å; Q119-F123 VanDerWaalsContact O-CD2 3.26Å; Q119-F123 WeakPolarHBondContact O-CD2 3.41Å; Q119-F123 PolarHBondContact O-N 3.24Å; Q119-F123 VanDerWaalsContact O-N 3.12Å; G120-F123 PolarHBondContact O-N 3.31Å; G120-F123 VanDerWaalsContact O-N 3.17Å; F123-L126 PolarHBondContact O-N 3.32Å; F123-Y127 HydrophobicContact CB-CE2 4.46Å; F123-Y127 HydrophobicContact CD1-CE2 4.45Å; F123-Y127 WeakPolarHBondContact O-CD2 3.36Å; F123-Y127 PolarHBondContact O-N 2.83Å; F123-H407 AromaticContact CD2-CE1 3.09Å; F123-H407 WeakPolarHBondContact CD2-CE1 3.22Å; F123-H407 AromaticContact CD2-ND1 3.98Å; F123-H407 AromaticContact CD2-NE2 3.31Å; F123-H407 VanDerWaalsContact CD2-NE2 3.31Å; F123-H407 WeakPolarHBondContact CD2-NE2 3.33Å; F123-H407 AromaticContact CE2-CE1 3.64Å; F123-H407 AromaticContact CG-CE1 3.39Å; F123-H407 WeakPolarHBondContact CG-CE1 3.3Å; F123-H407 AromaticContact CG-ND1 3.83Å; F123-H407 AromaticContact CG-NE2 3.7Å |
| 124 | N | 87.3 | Confident | 89.2 | Confident | 8 Ų | 8 | 13.7 Ų | 13.7 | 4% | 0.043 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.3 | -71.4 | -9.5 | 0 | 0 | 0 | 112.3 | S69 Y72 G120 Y122 L126 A128 | S69-N124 PolarHBondContact O-ND2 2.68Å; Y72-N124 VanDerWaalsContact CB-ND2 3.32Å; Y72-N124 WeakPolarHBondContact CB-ND2 3.4Å; Y72-N124 HydrophobicContact CD1-CB 3.49Å; Y72-N124 VanDerWaalsContact CD1-CB 3.49Å; Y72-N124 HydrophobicContact CD2-CB 4.17Å; Y72-N124 HydrophobicContact CE1-CB 3.86Å; Y72-N124 HydrophobicContact CE2-CB 4.48Å; Y72-N124 HydrophobicContact CG-CB 3.67Å; G120-N124 PolarHBondContact O-N 3.33Å; G120-N124 VanDerWaalsContact O-N 3.12Å; Y122-N124 PolarHBondContact O-N 2.74Å; N124-L126 VanDerWaalsContact C-N 3.28Å; N124-L126 PolarHBondContact O-N 3.43Å; N124-A128 WeakPolarHBondContact O-CB 3.35Å; N124-A128 PolarHBondContact O-N 3.15Å |
| 125 | A | 87.3 | Confident | 88.8 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.2 | -32.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y72 T85 P121 Y122 Y129 | Y72-A125 HydrophobicContact CE2-CB 4.03Å; T85-A125 HydrophobicContact CG2-CB 3.77Å; P121-A125 WeakPolarHBondContact O-CB 3.37Å; P121-A125 PolarHBondContact O-N 3.33Å; Y122-A125 PolarHBondContact O-N 3.09Å; A125-Y129 WeakPolarHBondContact O-CB 3.43Å; A125-Y129 PolarHBondContact O-N 3.28Å |
| 126 | L | 89.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.5 | -51.8 | 178.3 | -176.7 | 143.3 | 0 | 0 | 0 | 111.7 | L26 L86 Y122 F123 N124 A128 Y129 L130 F156 | L26-L126 HydrophobicContact CD1-CD1 4.3Å; L26-L126 HydrophobicContact CD2-CG 4.36Å; L86-L126 HydrophobicContact CD2-CB 4.14Å; L86-L126 HydrophobicContact CD2-CD1 4.45Å; Y122-L126 HydrophobicContact CE1-CD1 4.08Å; Y122-L126 HydrophobicContact CE2-CD1 3.97Å; Y122-L126 WeakPolarHBondContact O-CB 3.36Å; Y122-L126 PolarHBondContact O-N 3.14Å; F123-L126 PolarHBondContact O-N 3.32Å; N124-L126 VanDerWaalsContact C-N 3.28Å; N124-L126 PolarHBondContact O-N 3.43Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 3.44Å; L126-Y129 PolarHBondContact O-N 3.38Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 PolarHBondContact O-N 3.46Å; L126-F156 HydrophobicContact CD1-CE2 3.69Å; L126-F156 HydrophobicContact CD1-CZ 3.55Å; L126-F156 HydrophobicContact CD2-CD1 4.31Å; L126-F156 HydrophobicContact CD2-CE1 3.73Å; L126-F156 HydrophobicContact CD2-CE2 4.03Å; L126-F156 HydrophobicContact CD2-CZ 3.59Å; L126-F156 HydrophobicContact CG-CE2 4.21Å; L126-F156 HydrophobicContact CG-CZ 4.1Å |
| 127 | Y | 88.1 | Confident | 88.3 | Confident | 16 Ų | 16 | 16.4 Ų | 16.4 | 6% | 0.063 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 173.5 | -70.4 | -59.8 | 0 | 0 | 0 | 110.7 | F123 Y129 L130 F131 L153 F403 | F123-Y127 HydrophobicContact CB-CE2 4.46Å; F123-Y127 HydrophobicContact CD1-CE2 4.45Å; F123-Y127 WeakPolarHBondContact O-CD2 3.36Å; F123-Y127 PolarHBondContact O-N 2.83Å; Y127-Y129 VanDerWaalsContact C-N 3.35Å; Y127-Y129 PolarHBondContact O-N 3.38Å; Y127-L130 PolarHBondContact O-N 3.18Å; Y127-L130 VanDerWaalsContact O-N 3.15Å; Y127-F131 HydrophobicContact CD1-CE2 4.06Å; Y127-F131 HydrophobicContact CG-CE2 4.44Å; Y127-F131 WeakPolarHBondContact O-CD2 3.37Å; Y127-F131 PolarHBondContact O-N 3.3Å; Y127-L153 HydrophobicContact CD1-CD2 4.34Å; Y127-L153 HydrophobicContact CE1-CD2 4.09Å; Y127-F403 HydrophobicContact CD1-CD1 4.12Å; Y127-F403 HydrophobicContact CD1-CE1 4.49Å; Y127-F403 HydrophobicContact CD2-CD1 4.43Å; Y127-F403 HydrophobicContact CE1-CD1 4.32Å; Y127-F403 HydrophobicContact CG-CD1 4.19Å |
| 128 | A | 85.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 12 Ų | 12 | 5% | 0.05 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N124 L126 N132 W399 | N124-A128 WeakPolarHBondContact O-CB 3.35Å; N124-A128 PolarHBondContact O-N 3.15Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 3.44Å; A128-N132 VanDerWaalsContact O-CB 3.24Å; A128-N132 WeakPolarHBondContact O-CB 3.22Å; A128-N132 PolarHBondContact O-N 3Å; A128-N132 VanDerWaalsContact O-N 3.16Å; A128-N132 PolarHBondContact O-ND2 2.87Å; A128-W399 HydrophobicContact CB-CH2 4.43Å |
| 129 | Y | 87.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 175 | -164.1 | -80 | 0 | 0 | 0 | 111.7 | N22 L26 H82 A125 L126 Y127 S133 L244 D245 L247 | N22-Y129 HydrophobicContact CB-CE1 4.05Å; N22-Y129 WeakPolarHBondContact CB-OH 2.98Å; L26-Y129 HydrophobicContact CD2-CD1 3.78Å; L26-Y129 HydrophobicContact CD2-CG 4.26Å; H82-Y129 HydrophobicContact CB-CD2 4.09Å; A125-Y129 WeakPolarHBondContact O-CB 3.43Å; A125-Y129 PolarHBondContact O-N 3.28Å; L126-Y129 PolarHBondContact O-N 3.38Å; Y127-Y129 VanDerWaalsContact C-N 3.35Å; Y127-Y129 PolarHBondContact O-N 3.38Å; Y129-S133 VanDerWaalsContact O-CB 3.23Å; Y129-S133 WeakPolarHBondContact O-CB 3.34Å; Y129-S133 PolarHBondContact O-N 2.87Å; Y129-S133 PolarHBondContact O-OG 3.32Å; Y129-L244 HydrophobicContact CE1-CD1 3.97Å; Y129-L244 HydrophobicContact CE2-CD1 4.44Å; Y129-L244 HydrophobicContact CE2-CD2 4.33Å; Y129-L244 HydrophobicContact CE2-CG 4.33Å; Y129-L244 WeakPolarHBondContact OH-CD1 3.23Å; Y129-D245 PolarHBondContact OH-O 2.8Å; Y129-L247 HydrophobicContact CD2-CB 3.97Å; Y129-L247 HydrophobicContact CD2-CD2 4.12Å; Y129-L247 HydrophobicContact CE2-CB 3.46Å; Y129-L247 VanDerWaalsContact CE2-CB 3.46Å; Y129-L247 HydrophobicContact CE2-CD2 4.23Å; Y129-L247 HydrophobicContact CE2-CG 4.44Å; Y129-L247 HydrophobicContact CG-CD2 4.3Å |
| 130 | L | 90.4 | Very high | 87.2 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.8 | -49 | -175.9 | -161.9 | 69.8 | 0 | 0 | 0 | 112.5 | V23 L126 Y127 S133 A134 F152 L153 F156 | V23-L130 HydrophobicContact CG1-CD1 3.84Å; V23-L130 HydrophobicContact CG2-CD1 4.26Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 PolarHBondContact O-N 3.46Å; Y127-L130 PolarHBondContact O-N 3.18Å; Y127-L130 VanDerWaalsContact O-N 3.15Å; L130-S133 WeakPolarHBondContact O-CB 3.32Å; L130-S133 PolarHBondContact O-N 3.47Å; L130-A134 WeakPolarHBondContact O-CB 3.32Å; L130-A134 PolarHBondContact O-N 3.41Å; L130-F152 HydrophobicContact CD1-CB 3.87Å; L130-F152 HydrophobicContact CG-CB 4.13Å; L130-L153 HydrophobicContact CD2-CD2 3.57Å; L130-L153 HydrophobicContact CD2-CG 3.88Å; L130-F156 HydrophobicContact CD1-CB 4.29Å; L130-F156 HydrophobicContact CD2-CB 4.18Å; L130-F156 HydrophobicContact CD2-CG 4.42Å |
| 131 | F | 87.7 | Confident | 86.9 | Confident | 7 Ų | 7 | 22.9 Ų | 22.9 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 178 | -73.5 | -68.6 | 0 | 0 | 0 | 112.4 | Y127 S133 A134 A135 A149 L153 Y392 W399 F403 | Y127-F131 HydrophobicContact CD1-CE2 4.06Å; Y127-F131 HydrophobicContact CG-CE2 4.44Å; Y127-F131 WeakPolarHBondContact O-CD2 3.37Å; Y127-F131 PolarHBondContact O-N 3.3Å; F131-S133 VanDerWaalsContact C-N 3.3Å; F131-S133 PolarHBondContact O-N 2.87Å; F131-A134 PolarHBondContact O-N 2.89Å; F131-A135 WeakPolarHBondContact O-CB 3.42Å; F131-A135 PolarHBondContact O-N 3.04Å; F131-A149 HydrophobicContact CD1-CB 3.72Å; F131-A149 HydrophobicContact CE1-CB 3.69Å; F131-L153 HydrophobicContact CE1-CD1 4.27Å; F131-L153 HydrophobicContact CZ-CD1 4.03Å; F131-Y392 HydrophobicContact CD1-CD2 4.1Å; F131-Y392 AromaticContact CD1-CE2 3.83Å; F131-Y392 HydrophobicContact CD1-CE2 3.83Å; F131-Y392 AromaticContact CE1-CD2 3.52Å; F131-Y392 HydrophobicContact CE1-CD2 3.52Å; F131-Y392 AromaticContact CE1-CE2 3.69Å; F131-Y392 HydrophobicContact CE1-CE2 3.69Å; F131-Y392 HydrophobicContact CZ-CD2 4.18Å; F131-W399 HydrophobicContact CB-CD2 4.08Å; F131-W399 HydrophobicContact CB-CE3 3.76Å; F131-W399 HydrophobicContact CB-CH2 3.67Å; F131-W399 HydrophobicContact CB-CZ2 3.95Å; F131-W399 HydrophobicContact CB-CZ3 3.57Å; F131-W399 HydrophobicContact CD2-CD2 4.49Å; F131-W399 AromaticContact CD2-CE3 3.65Å; F131-W399 HydrophobicContact CD2-CE3 3.65Å; F131-W399 AromaticContact CD2-CZ3 3.79Å; F131-W399 HydrophobicContact CD2-CZ3 3.79Å; F131-W399 HydrophobicContact CG-CD2 4.3Å; F131-W399 AromaticContact CG-CE3 3.85Å; F131-W399 HydrophobicContact CG-CE3 3.85Å; F131-W399 HydrophobicContact CG-CZ3 4.03Å; F131-F403 HydrophobicContact CE1-CE2 4.41Å; F131-F403 HydrophobicContact CE1-CZ 4.38Å; F131-F403 AromaticContact CE2-CD1 3.87Å; F131-F403 HydrophobicContact CE2-CD1 3.87Å; F131-F403 AromaticContact CE2-CD2 3.92Å; F131-F403 HydrophobicContact CE2-CD2 3.92Å; F131-F403 AromaticContact CE2-CE1 3.81Å; F131-F403 HydrophobicContact CE2-CE1 3.81Å; F131-F403 AromaticContact CE2-CE2 3.87Å; F131-F403 HydrophobicContact CE2-CE2 3.87Å; F131-F403 AromaticContact CE2-CG 3.94Å; F131-F403 HydrophobicContact CE2-CG 3.94Å; F131-F403 AromaticContact CE2-CZ 3.82Å; F131-F403 HydrophobicContact CE2-CZ 3.82Å; F131-F403 HydrophobicContact CZ-CD1 4.25Å; F131-F403 HydrophobicContact CZ-CD2 4.13Å; F131-F403 AromaticContact CZ-CE1 3.71Å; F131-F403 HydrophobicContact CZ-CE1 3.71Å; F131-F403 AromaticContact CZ-CE2 3.58Å; F131-F403 HydrophobicContact CZ-CE2 3.58Å; F131-F403 HydrophobicContact CZ-CG 4.45Å; F131-F403 AromaticContact CZ-CZ 3.36Å; F131-F403 HydrophobicContact CZ-CZ 3.36Å |
| 132 | N | 85.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 8% | 0.08 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66 | -32.8 | 172.9 | -78.5 | -62.8 | 0 | 0 | 0 | 112.6 | A128 R136 L247 V249 | A128-N132 VanDerWaalsContact O-CB 3.24Å; A128-N132 WeakPolarHBondContact O-CB 3.22Å; A128-N132 PolarHBondContact O-N 3Å; A128-N132 VanDerWaalsContact O-N 3.16Å; A128-N132 PolarHBondContact O-ND2 2.87Å; N132-R136 WeakPolarHBondContact O-CG 3.4Å; N132-R136 PolarHBondContact O-N 3.14Å; N132-L247 HydrophobicContact CB-CD2 3.97Å; N132-V249 HydrophobicContact CB-CG2 4.08Å; N132-V249 WeakPolarHBondContact OD1-CG1 3.28Å |
| 133 | S | 88 | Confident | 85.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 171.3 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | Y129 L130 F131 R136 F137 | Y129-S133 VanDerWaalsContact O-CB 3.23Å; Y129-S133 WeakPolarHBondContact O-CB 3.34Å; Y129-S133 PolarHBondContact O-N 2.87Å; Y129-S133 PolarHBondContact O-OG 3.32Å; L130-S133 WeakPolarHBondContact O-CB 3.32Å; L130-S133 PolarHBondContact O-N 3.47Å; F131-S133 VanDerWaalsContact C-N 3.3Å; F131-S133 PolarHBondContact O-N 2.87Å; S133-R136 PolarHBondContact O-N 2.91Å; S133-F137 PolarHBondContact O-N 3.43Å |
| 134 | A | 88.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L130 F131 R136 F137 S138 A149 F152 | L130-A134 WeakPolarHBondContact O-CB 3.32Å; L130-A134 PolarHBondContact O-N 3.41Å; F131-A134 PolarHBondContact O-N 2.89Å; A134-R136 PolarHBondContact O-N 2.9Å; A134-F137 WeakPolarHBondContact O-CA 3.21Å; A134-F137 WeakPolarHBondContact O-CB 3.32Å; A134-F137 PolarHBondContact O-N 2.94Å; A134-S138 PolarHBondContact O-N 3.39Å; A134-S138 PolarHBondContact O-OG 3.16Å; A134-A149 HydrophobicContact CB-CB 3.88Å; A134-F152 HydrophobicContact CB-CD2 3.8Å; A134-F152 HydrophobicContact CB-CE2 4.33Å |
| 135 | A | 84.9 | Confident | 85.3 | Confident | 23 Ų | 23 | 39.2 Ų | 39.2 | 19% | 0.19 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.8 | -49 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F131 F137 S138 Y139 V145 | F131-A135 WeakPolarHBondContact O-CB 3.42Å; F131-A135 PolarHBondContact O-N 3.04Å; A135-F137 VanDerWaalsContact C-N 3.28Å; A135-F137 PolarHBondContact O-N 2.87Å; A135-S138 VanDerWaalsContact CA-OG 3.3Å; A135-S138 WeakPolarHBondContact CA-OG 3.26Å; A135-S138 PolarHBondContact O-N 2.85Å; A135-S138 PolarHBondContact O-OG 3.45Å; A135-Y139 WeakPolarHBondContact O-CD2 3.49Å; A135-Y139 PolarHBondContact O-N 2.95Å; A135-Y139 VanDerWaalsContact O-N 3.11Å; A135-V145 HydrophobicContact CB-CG1 4.21Å |
| 136 | R | 84.9 | Confident | 85 | Confident | 77 Ų | 77 | 40.8 Ų | 40.8 | 29% | 0.291 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.4 | -36.1 | 174.8 | -71.5 | 176.4 | -176.6 | -152.2 | -2.9 | 112.7 | I19 N132 S133 A134 L140 Q248 | I19-R136 HydrophobicContact CD1-CB 3.87Å; N132-R136 WeakPolarHBondContact O-CG 3.4Å; N132-R136 PolarHBondContact O-N 3.14Å; S133-R136 PolarHBondContact O-N 2.91Å; A134-R136 PolarHBondContact O-N 2.9Å; R136-L140 WeakPolarHBondContact O-CD1 3.12Å; R136-L140 WeakPolarHBondContact O-CG 3.28Å; R136-L140 PolarHBondContact O-N 3.46Å; R136-Q248 PolarHBondContact NH2-O 2.89Å |
| 137 | F | 87.9 | Confident | 84.7 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.096 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.2 | -43 | 176.7 | -169.9 | -95.5 | 0 | 0 | 0 | 112.4 | K16 I19 I20 S133 A134 A135 Y139 L140 S141 F152 | K16-F137 HydrophobicContact CB-CE2 4.14Å; K16-F137 HydrophobicContact CD-CE2 4.22Å; K16-F137 HydrophobicContact CG-CD2 4.48Å; K16-F137 HydrophobicContact CG-CE2 4.17Å; I19-F137 HydrophobicContact CG2-CB 4.34Å; I20-F137 HydrophobicContact CD1-CE2 3.85Å; I20-F137 HydrophobicContact CD1-CZ 4.39Å; I20-F137 HydrophobicContact CG1-CE2 4.12Å; S133-F137 PolarHBondContact O-N 3.43Å; A134-F137 WeakPolarHBondContact O-CA 3.21Å; A134-F137 WeakPolarHBondContact O-CB 3.32Å; A134-F137 PolarHBondContact O-N 2.94Å; A135-F137 VanDerWaalsContact C-N 3.28Å; A135-F137 PolarHBondContact O-N 2.87Å; F137-Y139 PolarHBondContact O-N 3.49Å; F137-L140 PolarHBondContact O-N 3.2Å; F137-L140 VanDerWaalsContact O-N 3.13Å; F137-S141 VanDerWaalsContact CE1-OG 3.32Å; F137-S141 WeakPolarHBondContact CE1-OG 3.39Å; F137-S141 WeakPolarHBondContact CZ-OG 3.48Å; F137-S141 WeakPolarHBondContact O-CB 3.47Å; F137-S141 PolarHBondContact O-N 3.16Å; F137-S141 PolarHBondContact O-OG 3.29Å; F137-F152 HydrophobicContact CB-CE2 3.83Å; F137-F152 HydrophobicContact CB-CZ 3.63Å; F137-F152 HydrophobicContact CD1-CE1 4.49Å; F137-F152 HydrophobicContact CD1-CZ 4.13Å; F137-F152 AromaticContact CD2-CZ 3.88Å; F137-F152 HydrophobicContact CD2-CZ 3.88Å; F137-F152 HydrophobicContact CG-CE1 4.35Å; F137-F152 HydrophobicContact CG-CE2 4.31Å; F137-F152 AromaticContact CG-CZ 3.6Å; F137-F152 HydrophobicContact CG-CZ 3.6Å |
| 138 | S | 84.6 | Confident | 84.7 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 175.3 | 33.1 | 0 | 0 | 0 | 0 | 112.3 | A134 A135 L140 S141 F142 E143 | A134-S138 PolarHBondContact O-N 3.39Å; A134-S138 PolarHBondContact O-OG 3.16Å; A135-S138 VanDerWaalsContact CA-OG 3.3Å; A135-S138 WeakPolarHBondContact CA-OG 3.26Å; A135-S138 PolarHBondContact O-N 2.85Å; A135-S138 PolarHBondContact O-OG 3.45Å; S138-L140 PolarHBondContact O-N 3.06Å; S138-S141 PolarHBondContact O-N 3.47Å; S138-S141 VanDerWaalsContact O-N 3.11Å; S138-F142 PolarHBondContact O-N 3.35Å; S138-E143 WeakPolarHBondContact CB-O 3.36Å |
| 139 | Y | 82.2 | Confident | 84.8 | Confident | 163 Ų | 163 | 42.1 Ų | 42.1 | 64% | 0.639 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -60.7 | -30.1 | 175.9 | -69.5 | -59.9 | 0 | 0 | 0 | 113.5 | A135 F137 | A135-Y139 WeakPolarHBondContact O-CD2 3.49Å; A135-Y139 PolarHBondContact O-N 2.95Å; A135-Y139 VanDerWaalsContact O-N 3.11Å; F137-Y139 PolarHBondContact O-N 3.49Å |
| 140 | L | 83.9 | Confident | 84.7 | Confident | 59 Ų | 59 | 42.5 Ų | 42.5 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -86 | -19.7 | 177.2 | -69.7 | 168.2 | 0 | 0 | 0 | 113.4 | P15 K16 I19 R136 F137 S138 | P15-L140 HydrophobicContact CB-CD1 4Å; P15-L140 HydrophobicContact CG-CD1 4.22Å; P15-L140 HydrophobicContact CG-CD2 4.42Å; K16-L140 VanDerWaalsContact CE-C 3.47Å; K16-L140 WeakPolarHBondContact CE-O 3.45Å; K16-L140 HydrophobicContact CG-CB 4.06Å; K16-L140 HydrophobicContact CG-CD1 4.27Å; K16-L140 PolarHBondContact NZ-O 3.32Å; I19-L140 HydrophobicContact CD1-CD1 3.7Å; R136-L140 WeakPolarHBondContact O-CD1 3.12Å; R136-L140 WeakPolarHBondContact O-CG 3.28Å; R136-L140 PolarHBondContact O-N 3.46Å; F137-L140 PolarHBondContact O-N 3.2Å; F137-L140 VanDerWaalsContact O-N 3.13Å; S138-L140 PolarHBondContact O-N 3.06Å |
| 141 | S | 82.5 | Confident | 84.7 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -113.1 | -3.7 | -173.2 | -64.2 | 0 | 0 | 0 | 0 | 114.6 | K16 F137 S138 E143 | K16-S141 WeakPolarHBondContact CE-OG 3.39Å; K16-S141 PolarHBondContact NZ-OG 3.09Å; F137-S141 VanDerWaalsContact CE1-OG 3.32Å; F137-S141 WeakPolarHBondContact CE1-OG 3.39Å; F137-S141 WeakPolarHBondContact CZ-OG 3.48Å; F137-S141 WeakPolarHBondContact O-CB 3.47Å; F137-S141 PolarHBondContact O-N 3.16Å; F137-S141 PolarHBondContact O-OG 3.29Å; S138-S141 PolarHBondContact O-N 3.47Å; S138-S141 VanDerWaalsContact O-N 3.11Å; S141-E143 PolarHBondContact O-N 3.48Å |
| 142 | F | 77.8 | Confident | 84.9 | Confident | 197 Ų | 197 | 47.4 Ų | 47.4 | 86% | 0.864 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 24.5 | -175.4 | -53.6 | -78.1 | 0 | 0 | 0 | 113.7 | S138 | S138-F142 PolarHBondContact O-N 3.35Š|
| 143 | E | 78.6 | Confident | 85.2 | Confident | 59 Ų | 59 | 47 Ų | 47 | 28% | 0.276 | 23% | 0.225 | S | C | . | . | trans | -93.7 | 162.6 | 171.9 | -66.1 | -169.8 | 179.7 | 0 | 0 | 110.9 | S138 S141 H147 R151 | S138-E143 WeakPolarHBondContact CB-O 3.36Å; S141-E143 PolarHBondContact O-N 3.48Å; E143-H147 IonicContact OE1-ND1 3.06Å; E143-H147 IonicContact OE2-CE1 2.73Å; E143-H147 PolarHBondContact OE2-CE1 2.76Å; E143-H147 IonicContact OE2-CG 2.79Å; E143-H147 IonicContact OE2-ND1 3.24Å; E143-H147 PolarHBondContact OE2-ND1 3.44Å; E143-R151 IonicContact OE1-CZ 2.75Å; E143-R151 IonicContact OE1-NH1 2.88Å; E143-R151 PolarHBondContact OE1-NH1 3.38Å; E143-R151 IonicContact OE1-NH2 2.71Å; E143-R151 IonicContact OE2-CZ 2.87Å; E143-R151 IonicContact OE2-NH1 3.2Å; E143-R151 PolarHBondContact OE2-NH1 2.91Å | ||
| 144 | T | 81.4 | Confident | 85.4 | Confident | 94 Ų | 94 | 47.7 Ų | 47.7 | 58% | 0.577 | 23% | 0.23 | S | C | * | . | trans | -67.7 | 143.9 | 171.8 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | C146 H147 S148 | T144-C146 PolarHBondContact O-N 3.03Å; T144-H147 PolarHBondContact O-N 2.98Å; T144-H147 VanDerWaalsContact O-N 3.15Å; T144-H147 WeakPolarHBondContact OG1-CB 3.45Å; T144-H147 PolarHBondContact OG1-N 2.83Å; T144-S148 PolarHBondContact O-N 3.16Å; T144-S148 VanDerWaalsContact O-N 3.1Å | ||
| 145 | V | 83 | Confident | 85.6 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.3 | -40.4 | 176.7 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | A135 H147 S148 A149 Y392 | A135-V145 HydrophobicContact CB-CG1 4.21Å; V145-H147 PolarHBondContact O-N 3.48Å; V145-S148 PolarHBondContact O-N 2.77Å; V145-A149 VanDerWaalsContact O-CB 3.28Å; V145-A149 WeakPolarHBondContact O-CB 3.35Å; V145-A149 PolarHBondContact O-N 2.77Å; V145-Y392 WeakPolarHBondContact CG1-OH 3.28Å |
| 146 | C | 81.8 | Confident | 86 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 22% | 0.223 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.4 | -48 | 177.5 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | T144 A149 H150 Y392 | T144-C146 PolarHBondContact O-N 3.03Å; C146-A149 PolarHBondContact O-N 3.46Å; C146-H150 PolarHBondContact O-N 3.38Å; C146-H150 PolarHBondContact O-ND1 3.18Å; C146-H150 VanDerWaalsContact SG-CE1 3.52Å; C146-Y392 HydrophobicContact CB-CD1 4.46Å; C146-Y392 HydrophobicContact CB-CE1 3.75Å |
| 147 | H | 84 | Confident | 86.4 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -43.2 | 179.6 | -175.9 | -115.2 | 0 | 0 | 0 | 111.8 | E143 T144 V145 A149 H150 R151 F334 | E143-H147 IonicContact OE1-ND1 3.06Å; E143-H147 IonicContact OE2-CE1 2.73Å; E143-H147 PolarHBondContact OE2-CE1 2.76Å; E143-H147 IonicContact OE2-CG 2.79Å; E143-H147 IonicContact OE2-ND1 3.24Å; E143-H147 PolarHBondContact OE2-ND1 3.44Å; T144-H147 PolarHBondContact O-N 2.98Å; T144-H147 VanDerWaalsContact O-N 3.15Å; T144-H147 WeakPolarHBondContact OG1-CB 3.45Å; T144-H147 PolarHBondContact OG1-N 2.83Å; V145-H147 PolarHBondContact O-N 3.48Å; H147-A149 VanDerWaalsContact C-N 3.32Å; H147-A149 PolarHBondContact O-N 3.2Å; H147-H150 PolarHBondContact O-N 3.45Å; H147-R151 PolarHBondContact CE1-NE 3.18Å; H147-R151 VanDerWaalsContact CE1-NE 3.28Å; H147-R151 PolarHBondContact CE1-NH2 2.96Å; H147-R151 VanDerWaalsContact CE1-NH2 3.33Å; H147-R151 WeakPolarHBondContact O-CG 3.21Å; H147-R151 PolarHBondContact O-N 3.4Å; H147-R151 VanDerWaalsContact O-N 3.08Å; H147-F334 AromaticContact CD2-CE1 3.64Å; H147-F334 AromaticContact CD2-CE2 3.88Å; H147-F334 AromaticContact CD2-CZ 3.5Å |
| 148 | S | 87 | Confident | 86.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 174.5 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | T144 V145 R151 F152 | T144-S148 PolarHBondContact O-N 3.16Å; T144-S148 VanDerWaalsContact O-N 3.1Å; V145-S148 PolarHBondContact O-N 2.77Å; S148-R151 PolarHBondContact O-N 3.08Å; S148-F152 WeakPolarHBondContact O-CG 3.41Å; S148-F152 PolarHBondContact O-N 3.32Å; S148-F152 VanDerWaalsContact O-N 3.09Å |
| 149 | A | 88 | Confident | 87.2 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.2 | -46.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F131 A134 V145 C146 H147 R151 F152 L153 Y392 | F131-A149 HydrophobicContact CD1-CB 3.72Å; F131-A149 HydrophobicContact CE1-CB 3.69Å; A134-A149 HydrophobicContact CB-CB 3.88Å; V145-A149 VanDerWaalsContact O-CB 3.28Å; V145-A149 WeakPolarHBondContact O-CB 3.35Å; V145-A149 PolarHBondContact O-N 2.77Å; C146-A149 PolarHBondContact O-N 3.46Å; H147-A149 VanDerWaalsContact C-N 3.32Å; H147-A149 PolarHBondContact O-N 3.2Å; A149-R151 VanDerWaalsContact C-N 3.31Å; A149-R151 PolarHBondContact O-N 3.39Å; A149-F152 PolarHBondContact O-N 2.85Å; A149-F152 VanDerWaalsContact O-N 3.15Å; A149-L153 WeakPolarHBondContact O-CB 3.26Å; A149-L153 WeakPolarHBondContact O-CG 3.31Å; A149-L153 PolarHBondContact O-N 2.97Å; A149-Y392 HydrophobicContact CB-CE2 4.48Å |
| 150 | H | 86.7 | Confident | 87.8 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 176.1 | -75.9 | 82.5 | 0 | 0 | 0 | 112.4 | C146 H147 C154 H330 F334 R389 | C146-H150 PolarHBondContact O-N 3.38Å; C146-H150 PolarHBondContact O-ND1 3.18Å; C146-H150 VanDerWaalsContact SG-CE1 3.52Å; H147-H150 PolarHBondContact O-N 3.45Å; H150-C154 WeakPolarHBondContact O-CB 3.11Å; H150-C154 PolarHBondContact O-N 2.97Å; H150-H330 PolarHBondContact O-CD2 3.35Å; H150-F334 HydrophobicContact CB-CZ 3.81Å; H150-R389 WeakPolarHBondContact NE2-CB 3.47Å; H150-R389 WeakPolarHBondContact NE2-CD 3.47Å; H150-R389 WeakPolarHBondContact NE2-CG 2.95Å |
| 151 | R | 89.4 | Confident | 88.3 | Confident | 106 Ų | 106 | 39.5 Ų | 39.5 | 40% | 0.4 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 172.1 | -77.3 | 170.9 | 161.3 | -169.4 | -5.8 | 112.3 | E143 H147 S148 A149 C154 I155 | E143-R151 IonicContact OE1-CZ 2.75Å; E143-R151 IonicContact OE1-NH1 2.88Å; E143-R151 PolarHBondContact OE1-NH1 3.38Å; E143-R151 IonicContact OE1-NH2 2.71Å; E143-R151 IonicContact OE2-CZ 2.87Å; E143-R151 IonicContact OE2-NH1 3.2Å; E143-R151 PolarHBondContact OE2-NH1 2.91Å; H147-R151 PolarHBondContact CE1-NE 3.18Å; H147-R151 VanDerWaalsContact CE1-NE 3.28Å; H147-R151 PolarHBondContact CE1-NH2 2.96Å; H147-R151 VanDerWaalsContact CE1-NH2 3.33Å; H147-R151 WeakPolarHBondContact O-CG 3.21Å; H147-R151 PolarHBondContact O-N 3.4Å; H147-R151 VanDerWaalsContact O-N 3.08Å; S148-R151 PolarHBondContact O-N 3.08Å; A149-R151 VanDerWaalsContact C-N 3.31Å; A149-R151 PolarHBondContact O-N 3.39Å; R151-C154 WeakPolarHBondContact O-CB 3.38Å; R151-C154 PolarHBondContact O-N 3.35Å; R151-I155 WeakPolarHBondContact O-CG1 3.21Å; R151-I155 PolarHBondContact O-N 3.26Å; R151-I155 VanDerWaalsContact O-N 3.14Å |
| 152 | F | 92.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.1 | -35.7 | 179.1 | -72 | 1.6 | 0 | 0 | 0 | 112.6 | I19 V23 L130 A134 F137 S148 A149 I155 F156 | I19-F152 HydrophobicContact CG2-CE2 3.72Å; I19-F152 HydrophobicContact CG2-CZ 3.9Å; V23-F152 HydrophobicContact CG1-CB 4.18Å; V23-F152 HydrophobicContact CG1-CD1 4.48Å; V23-F152 HydrophobicContact CG1-CG 4.22Å; V23-F152 HydrophobicContact CG2-CD2 3.72Å; V23-F152 HydrophobicContact CG2-CE2 3.9Å; V23-F152 HydrophobicContact CG2-CG 4.09Å; V23-F152 HydrophobicContact CG2-CZ 4.42Å; L130-F152 HydrophobicContact CD1-CB 3.87Å; L130-F152 HydrophobicContact CG-CB 4.13Å; A134-F152 HydrophobicContact CB-CD2 3.8Å; A134-F152 HydrophobicContact CB-CE2 4.33Å; F137-F152 HydrophobicContact CB-CE2 3.83Å; F137-F152 HydrophobicContact CB-CZ 3.63Å; F137-F152 HydrophobicContact CD1-CE1 4.49Å; F137-F152 HydrophobicContact CD1-CZ 4.13Å; F137-F152 AromaticContact CD2-CZ 3.88Å; F137-F152 HydrophobicContact CD2-CZ 3.88Å; F137-F152 HydrophobicContact CG-CE1 4.35Å; F137-F152 HydrophobicContact CG-CE2 4.31Å; F137-F152 AromaticContact CG-CZ 3.6Å; F137-F152 HydrophobicContact CG-CZ 3.6Å; S148-F152 WeakPolarHBondContact O-CG 3.41Å; S148-F152 PolarHBondContact O-N 3.32Å; S148-F152 VanDerWaalsContact O-N 3.09Å; A149-F152 PolarHBondContact O-N 2.85Å; A149-F152 VanDerWaalsContact O-N 3.15Å; F152-I155 HydrophobicContact CD1-CD1 4.35Å; F152-I155 PolarHBondContact O-N 3.42Å; F152-F156 VanDerWaalsContact O-CB 3.26Å; F152-F156 WeakPolarHBondContact O-CB 3.34Å; F152-F156 PolarHBondContact O-N 3.45Å |
| 153 | L | 91 | Very high | 89.7 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 167.9 | -75.6 | 162.6 | 0 | 0 | 0 | 111.6 | Y127 L130 F131 A149 F156 H157 | Y127-L153 HydrophobicContact CD1-CD2 4.34Å; Y127-L153 HydrophobicContact CE1-CD2 4.09Å; L130-L153 HydrophobicContact CD2-CD2 3.57Å; L130-L153 HydrophobicContact CD2-CG 3.88Å; F131-L153 HydrophobicContact CE1-CD1 4.27Å; F131-L153 HydrophobicContact CZ-CD1 4.03Å; A149-L153 WeakPolarHBondContact O-CB 3.26Å; A149-L153 WeakPolarHBondContact O-CG 3.31Å; A149-L153 PolarHBondContact O-N 2.97Å; L153-F156 PolarHBondContact O-N 2.88Å; L153-H157 VanDerWaalsContact O-CB 3.3Å; L153-H157 WeakPolarHBondContact O-CB 3.22Å; L153-H157 PolarHBondContact O-N 3.43Å; L153-H157 PolarHBondContact O-ND1 3.48Å |
| 154 | C | 92.8 | Very high | 90.5 | Very high | 17 Ų | 17 | 28.3 Ų | 28.3 | 12% | 0.115 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.7 | -54.3 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | H150 R151 F156 H157 L158 H330 | H150-C154 WeakPolarHBondContact O-CB 3.11Å; H150-C154 PolarHBondContact O-N 2.97Å; R151-C154 WeakPolarHBondContact O-CB 3.38Å; R151-C154 PolarHBondContact O-N 3.35Å; C154-F156 VanDerWaalsContact C-N 3.31Å; C154-F156 PolarHBondContact O-N 2.85Å; C154-H157 PolarHBondContact O-N 3.15Å; C154-L158 WeakPolarHBondContact O-CB 3.04Å; C154-L158 WeakPolarHBondContact O-CG 3.43Å; C154-L158 PolarHBondContact O-N 3.36Å; C154-H330 HydrophobicContact CB-CB 3.62Å |
| 155 | I | 93.1 | Very high | 91.2 | Very high | 56 Ų | 56 | 24 Ų | 24 | 29% | 0.287 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 178.3 | -66.3 | 165.3 | 0 | 0 | 0 | 110.9 | V23 V24 R151 F152 L159 | V23-I155 HydrophobicContact CG1-CB 4.49Å; V23-I155 HydrophobicContact CG1-CG2 4.21Å; V24-I155 HydrophobicContact CG2-CG2 4.15Å; R151-I155 WeakPolarHBondContact O-CG1 3.21Å; R151-I155 PolarHBondContact O-N 3.26Å; R151-I155 VanDerWaalsContact O-N 3.14Å; F152-I155 HydrophobicContact CD1-CD1 4.35Å; F152-I155 PolarHBondContact O-N 3.42Å; I155-L159 HydrophobicContact CG2-CD1 4.13Å; I155-L159 WeakPolarHBondContact O-CG 3.47Å; I155-L159 PolarHBondContact O-N 3.33Å; I155-L159 VanDerWaalsContact O-N 3.16Å |
| 156 | F | 93.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -48.4 | 180 | 174.3 | -100.1 | 0 | 0 | 0 | 112.8 | S30 L126 L130 F152 L153 C154 L159 T160 | S30-F156 WeakPolarHBondContact OG-CE2 3.05Å; L126-F156 HydrophobicContact CD1-CE2 3.69Å; L126-F156 HydrophobicContact CD1-CZ 3.55Å; L126-F156 HydrophobicContact CD2-CD1 4.31Å; L126-F156 HydrophobicContact CD2-CE1 3.73Å; L126-F156 HydrophobicContact CD2-CE2 4.03Å; L126-F156 HydrophobicContact CD2-CZ 3.59Å; L126-F156 HydrophobicContact CG-CE2 4.21Å; L126-F156 HydrophobicContact CG-CZ 4.1Å; L130-F156 HydrophobicContact CD1-CB 4.29Å; L130-F156 HydrophobicContact CD2-CB 4.18Å; L130-F156 HydrophobicContact CD2-CG 4.42Å; F152-F156 VanDerWaalsContact O-CB 3.26Å; F152-F156 WeakPolarHBondContact O-CB 3.34Å; F152-F156 PolarHBondContact O-N 3.45Å; L153-F156 PolarHBondContact O-N 2.88Å; C154-F156 VanDerWaalsContact C-N 3.31Å; C154-F156 PolarHBondContact O-N 2.85Å; F156-L159 PolarHBondContact O-N 3.15Å; F156-T160 VanDerWaalsContact CZ-OG1 3.25Å; F156-T160 WeakPolarHBondContact CZ-OG1 3.39Å; F156-T160 WeakPolarHBondContact O-CB 3.49Å; F156-T160 PolarHBondContact O-N 3.12Å; F156-T160 PolarHBondContact O-OG1 3.38Å |
| 157 | H | 92.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 26.4 Ų | 26.4 | 7% | 0.069 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.5 | -33.2 | -179.8 | -72.5 | 140.8 | 0 | 0 | 0 | 112.5 | L153 C154 T160 H161 S326 H330 E388 | L153-H157 VanDerWaalsContact O-CB 3.3Å; L153-H157 WeakPolarHBondContact O-CB 3.22Å; L153-H157 PolarHBondContact O-N 3.43Å; L153-H157 PolarHBondContact O-ND1 3.48Å; C154-H157 PolarHBondContact O-N 3.15Å; H157-T160 PolarHBondContact O-N 3.11Å; H157-H161 WeakPolarHBondContact O-CB 3.46Å; H157-H161 PolarHBondContact O-CD2 3.36Å; H157-H161 PolarHBondContact O-N 3.4Å; H157-S326 WeakPolarHBondContact CB-OG 3.37Å; H157-H330 AromaticContact ND1-CE1 3.96Å; H157-H330 AromaticContact ND1-NE2 3.98Å; H157-E388 IonicContact CE1-OE1 2.83Å; H157-E388 IonicContact CE1-OE2 3.48Å; H157-E388 PolarHBondContact CE1-OE2 3.46Å; H157-E388 IonicContact NE2-OE1 3.63Å |
| 158 | L | 94.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 24.2 Ų | 24.2 | 24% | 0.241 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.3 | -52 | 172.6 | -75.4 | 170.1 | 0 | 0 | 0 | 111.7 | C154 T160 H161 C162 L323 A327 | C154-L158 WeakPolarHBondContact O-CB 3.04Å; C154-L158 WeakPolarHBondContact O-CG 3.43Å; C154-L158 PolarHBondContact O-N 3.36Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 3.02Å; L158-H161 PolarHBondContact O-N 2.78Å; L158-C162 WeakPolarHBondContact O-CB 3.33Å; L158-C162 PolarHBondContact O-N 3.1Å; L158-L323 HydrophobicContact CB-CD1 4.25Å; L158-L323 HydrophobicContact CD2-CD1 3.71Å; L158-L323 HydrophobicContact CD2-CG 4.32Å; L158-L323 WeakPolarHBondContact CD2-O 3.45Å; L158-L323 WeakPolarHBondContact O-CD1 3.38Å; L158-A327 HydrophobicContact CD1-CB 4.15Å; L158-A327 HydrophobicContact CD2-CB 3.85Å |
| 159 | L | 95.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 26.7 Ų | 26.7 | 22% | 0.215 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 177.4 | -67.9 | 167.7 | 0 | 0 | 0 | 111.2 | V24 M31 I155 F156 C162 G163 | V24-L159 HydrophobicContact CG1-CD1 4.35Å; M31-L159 WeakPolarHBondContact CB-O 3.28Å; M31-L159 VanDerWaalsContact CG-O 3.22Å; M31-L159 WeakPolarHBondContact CG-O 3.17Å; I155-L159 HydrophobicContact CG2-CD1 4.13Å; I155-L159 WeakPolarHBondContact O-CG 3.47Å; I155-L159 PolarHBondContact O-N 3.33Å; I155-L159 VanDerWaalsContact O-N 3.16Å; F156-L159 PolarHBondContact O-N 3.15Å; L159-C162 WeakPolarHBondContact O-CB 3.42Å; L159-C162 PolarHBondContact O-N 3.25Å; L159-G163 PolarHBondContact O-N 2.94Å; L159-G163 VanDerWaalsContact O-N 3.09Å |
| 160 | T | 93.7 | Very high | 93 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | C34 F156 H157 L158 G163 W164 | C34-T160 HydrophobicContact CB-CG2 3.93Å; F156-T160 VanDerWaalsContact CZ-OG1 3.25Å; F156-T160 WeakPolarHBondContact CZ-OG1 3.39Å; F156-T160 WeakPolarHBondContact O-CB 3.49Å; F156-T160 PolarHBondContact O-N 3.12Å; F156-T160 PolarHBondContact O-OG1 3.38Å; H157-T160 PolarHBondContact O-N 3.11Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 3.02Å; T160-G163 WeakPolarHBondContact O-CA 3.39Å; T160-G163 PolarHBondContact O-N 3.49Å; T160-G163 VanDerWaalsContact O-N 3.16Å; T160-W164 PolarHBondContact O-N 3.35Å |
| 161 | H | 94.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74.9 | -27.4 | 178.5 | -66.7 | -40.5 | 0 | 0 | 0 | 113.7 | H157 L158 G163 W164 A165 N322 L323 R381 | H157-H161 WeakPolarHBondContact O-CB 3.46Å; H157-H161 PolarHBondContact O-CD2 3.36Å; H157-H161 PolarHBondContact O-N 3.4Å; L158-H161 PolarHBondContact O-N 2.78Å; H161-G163 PolarHBondContact O-N 3.34Å; H161-W164 AromaticContact CE1-CE2 3.86Å; H161-W164 AromaticContact CE1-CH2 3.71Å; H161-W164 AromaticContact CE1-CZ2 3.66Å; H161-W164 AromaticContact CE1-CZ3 3.91Å; H161-W164 AromaticContact ND1-CD2 3.46Å; H161-W164 AromaticContact ND1-CE2 3.56Å; H161-W164 AromaticContact ND1-CE3 3.6Å; H161-W164 AromaticContact ND1-CZ2 3.84Å; H161-W164 AromaticContact ND1-CZ3 3.87Å; H161-W164 PolarHBondContact O-N 3.24Å; H161-A165 PolarHBondContact O-N 3.26Å; H161-N322 HydrophobicContact CB-CB 4.39Å; H161-L323 HydrophobicContact CB-CB 4.06Å; H161-L323 HydrophobicContact CB-CD1 4.41Å; H161-R381 PolarHBondContact CE1-NH1 3.14Å; H161-R381 VanDerWaalsContact NE2-CZ 3.3Å; H161-R381 PolarHBondContact NE2-NH1 3.01Å |
| 162 | C | 95.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 24.2 Ų | 24.2 | 24% | 0.236 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 165.7 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | M31 L158 L159 A165 W166 L323 | M31-C162 HydrophobicContact SD-CB 4.48Å; L158-C162 WeakPolarHBondContact O-CB 3.33Å; L158-C162 PolarHBondContact O-N 3.1Å; L159-C162 WeakPolarHBondContact O-CB 3.42Å; L159-C162 PolarHBondContact O-N 3.25Å; C162-A165 PolarHBondContact O-N 3.27Å; C162-W166 VanDerWaalsContact O-CD1 3.23Å; C162-W166 PolarHBondContact O-N 3.12Å; C162-W166 VanDerWaalsContact SG-CD1 3.59Å; C162-L323 HydrophobicContact CB-CD1 4.16Å |
| 163 | G | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M31 G35 L159 T160 H161 A165 W166 G167 | M31-G163 WeakPolarHBondContact O-CA 3.23Å; G35-G163 WeakPolarHBondContact CA-O 3.47Å; L159-G163 PolarHBondContact O-N 2.94Å; L159-G163 VanDerWaalsContact O-N 3.09Å; T160-G163 WeakPolarHBondContact O-CA 3.39Å; T160-G163 PolarHBondContact O-N 3.49Å; T160-G163 VanDerWaalsContact O-N 3.16Å; H161-G163 PolarHBondContact O-N 3.34Å; G163-A165 VanDerWaalsContact C-N 3.33Å; G163-A165 PolarHBondContact O-N 2.98Å; G163-W166 PolarHBondContact O-N 3.17Å; G163-G167 PolarHBondContact O-N 3.44Å |
| 164 | W | 94.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 3% | 0.034 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.4 | -47.7 | 174 | -63.5 | 17.3 | 0 | 0 | 0 | 110.7 | M38 T160 H161 G167 F168 Y318 S319 | M38-W164 HydrophobicContact CB-CG 4.42Å; M38-W164 HydrophobicContact CE-CZ2 3.74Å; M38-W164 HydrophobicContact CG-CD2 4.01Å; M38-W164 HydrophobicContact CG-CG 4.05Å; M38-W164 HydrophobicContact CG-CZ2 4.32Å; M38-W164 HydrophobicContact SD-CZ2 4.17Å; T160-W164 PolarHBondContact O-N 3.35Å; H161-W164 AromaticContact CE1-CE2 3.86Å; H161-W164 AromaticContact CE1-CH2 3.71Å; H161-W164 AromaticContact CE1-CZ2 3.66Å; H161-W164 AromaticContact CE1-CZ3 3.91Å; H161-W164 AromaticContact ND1-CD2 3.46Å; H161-W164 AromaticContact ND1-CE2 3.56Å; H161-W164 AromaticContact ND1-CE3 3.6Å; H161-W164 AromaticContact ND1-CZ2 3.84Å; H161-W164 AromaticContact ND1-CZ3 3.87Å; H161-W164 PolarHBondContact O-N 3.24Å; W164-G167 PolarHBondContact O-N 2.98Å; W164-F168 WeakPolarHBondContact O-CD2 3.22Å; W164-F168 PolarHBondContact O-N 2.94Å; W164-Y318 HydrophobicContact CE3-CE1 4.49Å; W164-Y318 HydrophobicContact CZ3-CE1 4.03Å; W164-S319 WeakPolarHBondContact CB-OG 3.46Å |
| 165 | A | 95.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -52.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H161 C162 G163 G167 F168 L169 F316 L320 | H161-A165 PolarHBondContact O-N 3.26Å; C162-A165 PolarHBondContact O-N 3.27Å; G163-A165 VanDerWaalsContact C-N 3.33Å; G163-A165 PolarHBondContact O-N 2.98Å; A165-G167 VanDerWaalsContact C-N 3.28Å; A165-G167 PolarHBondContact O-N 3.48Å; A165-F168 PolarHBondContact O-N 3.18Å; A165-L169 VanDerWaalsContact O-CB 3.32Å; A165-L169 WeakPolarHBondContact O-CB 3.18Å; A165-L169 PolarHBondContact O-N 2.9Å; A165-F316 HydrophobicContact CB-CD2 3.87Å; A165-F316 HydrophobicContact CB-CE2 3.98Å; A165-F316 WeakPolarHBondContact O-CD2 3.27Å; A165-L320 HydrophobicContact CB-CD2 4.23Å |
| 166 | W | 94.2 | Very high | 91.2 | Very high | 134 Ų | 134 | 28.3 Ų | 28.3 | 51% | 0.508 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.9 | -40.5 | 176 | -78.7 | 113.1 | 0 | 0 | 0 | 112.4 | C162 G163 L169 L170 W232 | C162-W166 VanDerWaalsContact O-CD1 3.23Å; C162-W166 PolarHBondContact O-N 3.12Å; C162-W166 VanDerWaalsContact SG-CD1 3.59Å; G163-W166 PolarHBondContact O-N 3.17Å; W166-L169 HydrophobicContact CE3-CD2 4.17Å; W166-L169 HydrophobicContact CZ3-CD2 4.14Å; W166-L169 PolarHBondContact O-N 3.12Å; W166-L170 WeakPolarHBondContact O-CG 3.38Å; W166-L170 PolarHBondContact O-N 3.39Å; W166-W232 HydrophobicContact CB-CH2 3.69Å; W166-W232 HydrophobicContact CB-CZ2 4.32Å |
| 167 | G | 91.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -49.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G35 G163 W164 A165 S171 | G35-G167 VanDerWaalsContact O-CA 3.23Å; G35-G167 WeakPolarHBondContact O-CA 3.48Å; G163-G167 PolarHBondContact O-N 3.44Å; W164-G167 PolarHBondContact O-N 2.98Å; A165-G167 VanDerWaalsContact C-N 3.28Å; A165-G167 PolarHBondContact O-N 3.48Å; G167-S171 WeakPolarHBondContact O-CB 3.49Å; G167-S171 PolarHBondContact O-N 3.41Å; G167-S171 PolarHBondContact O-OG 3.02Å |
| 168 | F | 93 | Very high | 89.7 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -38 | 176.7 | -74.3 | -63.1 | 0 | 0 | 0 | 112.2 | M38 P39 W164 A165 S171 A172 L315 F316 S319 | M38-F168 HydrophobicContact CB-CE2 4.18Å; M38-F168 HydrophobicContact CB-CZ 4.17Å; P39-F168 HydrophobicContact CB-CD1 4.04Å; P39-F168 HydrophobicContact CB-CE1 4.07Å; P39-F168 HydrophobicContact CG-CD1 4Å; P39-F168 HydrophobicContact CG-CE1 4.16Å; P39-F168 HydrophobicContact CG-CG 4.23Å; W164-F168 WeakPolarHBondContact O-CD2 3.22Å; W164-F168 PolarHBondContact O-N 2.94Å; A165-F168 PolarHBondContact O-N 3.18Å; F168-S171 PolarHBondContact O-N 2.99Å; F168-A172 VanDerWaalsContact O-CB 3.29Å; F168-A172 WeakPolarHBondContact O-CB 3.34Å; F168-A172 PolarHBondContact O-N 3.18Å; F168-L315 HydrophobicContact CB-CB 4.32Å; F168-L315 HydrophobicContact CD1-CB 3.54Å; F168-L315 HydrophobicContact CD1-CD1 3.96Å; F168-L315 HydrophobicContact CD1-CG 4.4Å; F168-L315 HydrophobicContact CD2-CB 3.88Å; F168-L315 HydrophobicContact CE1-CB 3.69Å; F168-L315 HydrophobicContact CE1-CD1 3.5Å; F168-L315 VanDerWaalsContact CE1-CD1 3.5Å; F168-L315 HydrophobicContact CE1-CG 4.15Å; F168-L315 HydrophobicContact CE2-CB 4.04Å; F168-L315 HydrophobicContact CG-CB 3.65Å; F168-L315 HydrophobicContact CZ-CB 3.95Å; F168-L315 HydrophobicContact CZ-CD1 4.06Å; F168-L315 HydrophobicContact CZ-CD2 4.49Å; F168-L315 HydrophobicContact CZ-CG 4.41Å; F168-F316 HydrophobicContact CB-CB 4.3Å; F168-S319 WeakPolarHBondContact CD2-OG 3.4Å |
| 169 | L | 92.8 | Very high | 88.8 | Confident | 52 Ų | 52 | 28.6 Ų | 28.6 | 27% | 0.272 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 178.3 | -178 | 62.1 | 0 | 0 | 0 | 112.5 | A165 W166 A172 G173 Y313 F316 | A165-L169 VanDerWaalsContact O-CB 3.32Å; A165-L169 WeakPolarHBondContact O-CB 3.18Å; A165-L169 PolarHBondContact O-N 2.9Å; W166-L169 HydrophobicContact CE3-CD2 4.17Å; W166-L169 HydrophobicContact CZ3-CD2 4.14Å; W166-L169 PolarHBondContact O-N 3.12Å; L169-A172 PolarHBondContact O-N 3.12Å; L169-G173 PolarHBondContact O-N 3.1Å; L169-Y313 HydrophobicContact CD1-CE1 4.27Å; L169-F316 HydrophobicContact CB-CD2 3.82Å; L169-F316 HydrophobicContact CB-CE2 4.09Å; L169-F316 HydrophobicContact CB-CG 4.38Å; L169-F316 HydrophobicContact CD2-CE2 3.99Å; L169-F316 HydrophobicContact CD2-CZ 4.23Å; L169-F316 HydrophobicContact CG-CE2 4.44Å |
| 170 | L | 90 | Very high | 87.9 | Confident | 60 Ų | 60 | 29.3 Ų | 29.3 | 31% | 0.314 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.1 | -37.9 | 177.2 | -68.2 | -170.4 | 0 | 0 | 0 | 112.1 | W166 G173 T174 L228 W232 | W166-L170 WeakPolarHBondContact O-CG 3.38Å; W166-L170 PolarHBondContact O-N 3.39Å; L170-G173 PolarHBondContact O-N 2.72Å; L170-T174 PolarHBondContact O-N 3.43Å; L170-T174 PolarHBondContact O-OG1 3.35Å; L170-L228 HydrophobicContact CB-CD2 4.11Å; L170-L228 HydrophobicContact CD1-CD1 3.94Å; L170-L228 HydrophobicContact CD1-CD2 3.99Å; L170-L228 HydrophobicContact CD1-CG 4.45Å; L170-W232 HydrophobicContact CD1-CH2 3.83Å; L170-W232 HydrophobicContact CD1-CZ2 3.33Å; L170-W232 HydrophobicContact CG-CH2 4.47Å; L170-W232 HydrophobicContact CG-CZ2 4.34Å |
| 171 | S | 85.8 | Confident | 87.1 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 174.3 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | P39 Y43 G167 F168 G173 T174 L175 Y229 | P39-S171 WeakPolarHBondContact CB-OG 3.42Å; Y43-S171 VanDerWaalsContact CE2-CB 3.46Å; G167-S171 WeakPolarHBondContact O-CB 3.49Å; G167-S171 PolarHBondContact O-N 3.41Å; G167-S171 PolarHBondContact O-OG 3.02Å; F168-S171 PolarHBondContact O-N 2.99Å; S171-G173 VanDerWaalsContact C-N 3.32Å; S171-G173 PolarHBondContact O-N 2.86Å; S171-T174 PolarHBondContact O-N 3.42Å; S171-T174 PolarHBondContact O-OG1 3.27Å; S171-L175 WeakPolarHBondContact O-CB 3.4Å; S171-L175 WeakPolarHBondContact O-CD1 3.28Å; S171-L175 WeakPolarHBondContact O-CG 3.5Å; S171-L175 PolarHBondContact O-N 3.39Å; S171-Y229 PolarHBondContact OG-OH 2.92Å |
| 172 | A | 87.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F168 L169 L175 H176 Y313 | F168-A172 VanDerWaalsContact O-CB 3.29Å; F168-A172 WeakPolarHBondContact O-CB 3.34Å; F168-A172 PolarHBondContact O-N 3.18Å; L169-A172 PolarHBondContact O-N 3.12Å; A172-L175 PolarHBondContact O-N 3.4Å; A172-H176 VanDerWaalsContact O-CB 3.25Å; A172-H176 WeakPolarHBondContact O-CB 3.39Å; A172-H176 PolarHBondContact O-N 2.99Å; A172-Y313 HydrophobicContact CB-CD1 3.78Å; A172-Y313 HydrophobicContact CB-CD2 4.12Å; A172-Y313 HydrophobicContact CB-CE1 3.65Å; A172-Y313 HydrophobicContact CB-CE2 3.99Å; A172-Y313 HydrophobicContact CB-CG 4Å |
| 173 | G | 86.6 | Confident | 84.5 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 37% | 0.371 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | L169 L170 S171 H176 G177 | L169-G173 PolarHBondContact O-N 3.1Å; L170-G173 PolarHBondContact O-N 2.72Å; S171-G173 VanDerWaalsContact C-N 3.32Å; S171-G173 PolarHBondContact O-N 2.86Å; G173-H176 PolarHBondContact O-N 3.4Å; G173-G177 PolarHBondContact O-N 2.83Å; G173-G177 VanDerWaalsContact O-N 3.09Å |
| 174 | T | 83.4 | Confident | 83.1 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 31% | 0.307 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 176.5 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | L170 S171 I178 | L170-T174 PolarHBondContact O-N 3.43Å; L170-T174 PolarHBondContact O-OG1 3.35Å; S171-T174 PolarHBondContact O-N 3.42Å; S171-T174 PolarHBondContact O-OG1 3.27Å; T174-I178 WeakPolarHBondContact O-CG1 3.48Å; T174-I178 PolarHBondContact O-N 2.63Å |
| 175 | L | 80 | Confident | 81.5 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174.4 | -77.2 | 162.6 | 0 | 0 | 0 | 112.7 | Y43 S171 A172 G177 I178 E179 L217 Q308 | Y43-L175 HydrophobicContact CD1-CD1 4.26Å; Y43-L175 HydrophobicContact CE1-CD1 3.49Å; Y43-L175 VanDerWaalsContact CE1-CD1 3.49Å; Y43-L175 HydrophobicContact CE2-CD1 4.36Å; S171-L175 WeakPolarHBondContact O-CB 3.4Å; S171-L175 WeakPolarHBondContact O-CD1 3.28Å; S171-L175 WeakPolarHBondContact O-CG 3.5Å; S171-L175 PolarHBondContact O-N 3.39Å; A172-L175 PolarHBondContact O-N 3.4Å; L175-G177 VanDerWaalsContact C-N 3.31Å; L175-G177 PolarHBondContact O-N 3.35Å; L175-I178 WeakPolarHBondContact O-CB 3.16Å; L175-I178 PolarHBondContact O-N 2.87Å; L175-I178 VanDerWaalsContact O-N 3.12Å; L175-E179 WeakPolarHBondContact O-CG 3.19Å; L175-E179 PolarHBondContact O-N 3.14Å; L175-L217 HydrophobicContact CD1-CD1 4.48Å; L175-L217 HydrophobicContact CD2-CD1 3.77Å; L175-L217 HydrophobicContact CD2-CG 3.81Å; L175-L217 HydrophobicContact CG-CD1 4.14Å; L175-L217 HydrophobicContact CG-CG 4.35Å; L175-Q308 HydrophobicContact CD1-CG 3.79Å; L175-Q308 HydrophobicContact CD2-CB 4.29Å; L175-Q308 HydrophobicContact CD2-CG 3.8Å; L175-Q308 HydrophobicContact CG-CG 4.38Å |
| 176 | H | 83.7 | Confident | 80 | Confident | 83 Ų | 83 | 53 Ų | 53 | 38% | 0.384 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 180 | -173.2 | 58.1 | 0 | 0 | 0 | 112.1 | A172 G173 E179 S180 | A172-H176 VanDerWaalsContact O-CB 3.25Å; A172-H176 WeakPolarHBondContact O-CB 3.39Å; A172-H176 PolarHBondContact O-N 2.99Å; G173-H176 PolarHBondContact O-N 3.4Å; H176-E179 IonicContact ND1-OE2 2.74Å; H176-S180 VanDerWaalsContact O-CB 3.3Å; H176-S180 WeakPolarHBondContact O-CB 3.38Å; H176-S180 PolarHBondContact O-N 3.02Å; H176-S180 PolarHBondContact O-OG 2.96Å |
| 177 | G | 79.3 | Confident | 79 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G173 L175 T181 | G173-G177 PolarHBondContact O-N 2.83Å; G173-G177 VanDerWaalsContact O-N 3.09Å; L175-G177 VanDerWaalsContact C-N 3.31Å; L175-G177 PolarHBondContact O-N 3.35Å; G177-T181 WeakPolarHBondContact O-CG2 3.33Å; G177-T181 PolarHBondContact O-N 3.45Å; G177-T181 PolarHBondContact O-OG1 3.28Å |
| 178 | I | 75.9 | Confident | 78.1 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -55 | 175.9 | -70.1 | 165.5 | 0 | 0 | 0 | 110.8 | T174 L175 S180 T181 T182 L217 V220 | T174-I178 WeakPolarHBondContact O-CG1 3.48Å; T174-I178 PolarHBondContact O-N 2.63Å; L175-I178 WeakPolarHBondContact O-CB 3.16Å; L175-I178 PolarHBondContact O-N 2.87Å; L175-I178 VanDerWaalsContact O-N 3.12Å; I178-S180 PolarHBondContact O-N 3.28Å; I178-T181 WeakPolarHBondContact O-CA 3.44Å; I178-T181 PolarHBondContact O-N 3.4Å; I178-T181 PolarHBondContact O-OG1 3.42Å; I178-T182 PolarHBondContact O-N 2.9Å; I178-T182 VanDerWaalsContact O-N 3.07Å; I178-T182 PolarHBondContact O-OG1 2.98Å; I178-L217 HydrophobicContact CD1-CD2 4.18Å; I178-L217 HydrophobicContact CD1-CG 4.43Å; I178-V220 HydrophobicContact CB-CG2 4.24Å; I178-V220 HydrophobicContact CG1-CB 4.24Å; I178-V220 HydrophobicContact CG1-CG2 3.87Å; I178-V220 HydrophobicContact CG2-CG2 3.74Å |
| 179 | E | 75.6 | Confident | 77.1 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.7 | -36.1 | 178.8 | -69.1 | 167.2 | 176.1 | 0 | 0 | 112.6 | L175 H176 T182 N183 E184 T185 P307 Q308 S309 | L175-E179 WeakPolarHBondContact O-CG 3.19Å; L175-E179 PolarHBondContact O-N 3.14Å; H176-E179 IonicContact ND1-OE2 2.74Å; E179-T182 PolarHBondContact O-OG1 3.07Å; E179-N183 PolarHBondContact O-N 3.42Å; E179-E184 PolarHBondContact O-N 2.94Å; E179-E184 VanDerWaalsContact O-N 3.11Å; E179-T185 HydrophobicContact CB-CG2 4.17Å; E179-T185 WeakPolarHBondContact O-CG2 3.41Å; E179-P307 VanDerWaalsContact CD-CB 3.47Å; E179-P307 HydrophobicContact CG-CB 4.5Å; E179-P307 VanDerWaalsContact OE1-CB 3.24Å; E179-P307 WeakPolarHBondContact OE1-CB 3.47Å; E179-P307 WeakPolarHBondContact OE2-CB 3.46Å; E179-Q308 WeakPolarHBondContact OE1-CA 3.38Å; E179-Q308 PolarHBondContact OE1-N 2.97Å; E179-S309 PolarHBondContact OE1-N 2.94Å; E179-S309 PolarHBondContact OE1-OG 3.33Å; E179-S309 WeakPolarHBondContact OE2-CB 3.17Å; E179-S309 PolarHBondContact OE2-OG 3.1Å |
| 180 | S | 78 | Confident | 76.2 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.1 | -29.1 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 113 | H176 I178 | H176-S180 VanDerWaalsContact O-CB 3.3Å; H176-S180 WeakPolarHBondContact O-CB 3.38Å; H176-S180 PolarHBondContact O-N 3.02Å; H176-S180 PolarHBondContact O-OG 2.96Å; I178-S180 PolarHBondContact O-N 3.28Å |
| 181 | T | 75.5 | Confident | 75.1 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -82.5 | -25.5 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | G177 I178 | G177-T181 WeakPolarHBondContact O-CG2 3.33Å; G177-T181 PolarHBondContact O-N 3.45Å; G177-T181 PolarHBondContact O-OG1 3.28Å; I178-T181 WeakPolarHBondContact O-CA 3.44Å; I178-T181 PolarHBondContact O-N 3.4Å; I178-T181 PolarHBondContact O-OG1 3.42Å |
| 182 | T | 68.8 | Low | 74.1 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -93.9 | -3.2 | -178.8 | 56 | 0 | 0 | 0 | 0 | 114 | I178 E179 E184 | I178-T182 PolarHBondContact O-N 2.9Å; I178-T182 VanDerWaalsContact O-N 3.07Å; I178-T182 PolarHBondContact O-OG1 2.98Å; E179-T182 PolarHBondContact O-OG1 3.07Å; T182-E184 WeakPolarHBondContact CB-OE2 3.12Å; T182-E184 PolarHBondContact O-N 3.17Å; T182-E184 WeakPolarHBondContact OG1-CB 3.4Å; T182-E184 VanDerWaalsContact OG1-CG 3.32Å; T182-E184 WeakPolarHBondContact OG1-CG 3.31Å; T182-E184 PolarHBondContact OG1-OE2 3.41Å |
| 183 | N | 67.4 | Low | 73 | Confident | 142 Ų | 142 | 61 Ų | 61 | 76% | 0.759 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 20.2 | -167.7 | -66.4 | -38.6 | 0 | 0 | 0 | 114 | E179 T185 | E179-N183 PolarHBondContact O-N 3.42Å; N183-T185 VanDerWaalsContact C-N 3.29Å; N183-T185 PolarHBondContact O-N 3.4Å |
| 184 | E | 64.7 | Low | 71.9 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | trans | -85.9 | 3.6 | -177.6 | -68.4 | 173.9 | 128.3 | 0 | 0 | 113.6 | E179 T182 H186 M187 | E179-E184 PolarHBondContact O-N 2.94Å; E179-E184 VanDerWaalsContact O-N 3.11Å; T182-E184 WeakPolarHBondContact CB-OE2 3.12Å; T182-E184 PolarHBondContact O-N 3.17Å; T182-E184 WeakPolarHBondContact OG1-CB 3.4Å; T182-E184 VanDerWaalsContact OG1-CG 3.32Å; T182-E184 WeakPolarHBondContact OG1-CG 3.31Å; T182-E184 PolarHBondContact OG1-OE2 3.41Å; E184-H186 PolarHBondContact O-N 3.36Å; E184-M187 PolarHBondContact O-N 3.06Å | ||
| 185 | T | 62.5 | Low | 71.2 | Confident | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -4.1 | -180 | 62.9 | 0 | 0 | 0 | 0 | 115.8 | E179 N183 P307 | E179-T185 HydrophobicContact CB-CG2 4.17Å; E179-T185 WeakPolarHBondContact O-CG2 3.41Å; N183-T185 VanDerWaalsContact C-N 3.29Å; N183-T185 PolarHBondContact O-N 3.4Å; T185-P307 WeakPolarHBondContact O-CG 3.39Å |
| 186 | H | 64.2 | Low | 71.1 | Confident | 144 Ų | 144 | 73 Ų | 73 | 67% | 0.667 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -9.1 | 177.7 | -66.4 | -12.8 | 0 | 0 | 0 | 114.6 | E184 | E184-H186 PolarHBondContact O-N 3.36Š|
| 187 | M | 71.6 | Confident | 71.1 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -82.2 | 137.4 | 179.1 | -65.7 | -105.2 | -136.4 | 0 | 0 | 111.2 | E184 | E184-M187 PolarHBondContact O-N 3.06Š|
| 188 | P | 73.2 | Confident | 71.4 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 21% | 0.208 | 37% | 0.37 | C | S | . | . | trans | -73.4 | 138.3 | 166.2 | 31.8 | -32.7 | 0 | 0 | 0 | 109.6 | T190 L191 | P188-T190 PolarHBondContact O-N 3.28Å; P188-L191 HydrophobicContact CG-CD1 4.44Å | ||
| 189 | W | 73.7 | Confident | 71.9 | Confident | 21 Ų | 21 | 71.1 Ų | 71.1 | 8% | 0.08 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -62.6 | -40.2 | -178.7 | 179.5 | 22.1 | 0 | 0 | 0 | 112.6 | Y43 L46 A303 S306 Q308 V311 | Y43-W189 AromaticContact CD1-CH2 3.72Å; Y43-W189 HydrophobicContact CD1-CH2 3.72Å; Y43-W189 AromaticContact CD1-CZ3 3.9Å; Y43-W189 HydrophobicContact CD1-CZ3 3.9Å; Y43-W189 HydrophobicContact CE1-CZ3 4.47Å; L46-W189 HydrophobicContact CB-CE3 4.44Å; L46-W189 HydrophobicContact CB-CH2 3.33Å; L46-W189 HydrophobicContact CB-CZ2 4.09Å; L46-W189 HydrophobicContact CB-CZ3 3.55Å; L46-W189 HydrophobicContact CD1-CH2 4.12Å; L46-W189 HydrophobicContact CD1-CZ3 3.64Å; L46-W189 HydrophobicContact CG-CH2 4.35Å; L46-W189 HydrophobicContact CG-CZ3 4.18Å; W189-A303 HydrophobicContact CB-CB 4.29Å; W189-A303 HydrophobicContact CE3-CB 4.09Å; W189-A303 PolarHBondContact N-O 3.31Å; W189-A303 VanDerWaalsContact N-O 3.08Å; W189-S306 PolarHBondContact N-O 3Å; W189-Q308 HydrophobicContact CB-CB 4.27Å; W189-Q308 HydrophobicContact CD2-CB 3.89Å; W189-Q308 HydrophobicContact CD2-CG 3.68Å; W189-Q308 HydrophobicContact CE3-CB 4Å; W189-Q308 HydrophobicContact CE3-CG 3.59Å; W189-Q308 HydrophobicContact CG-CB 4.02Å; W189-Q308 HydrophobicContact CG-CG 4.31Å; W189-Q308 HydrophobicContact CH2-CG 3.98Å; W189-Q308 HydrophobicContact CZ2-CG 4.07Å; W189-Q308 HydrophobicContact CZ3-CG 3.73Å; W189-V311 HydrophobicContact CE3-CG2 4.2Å; W189-V311 HydrophobicContact CZ3-CG2 4.41Å |
| 190 | T | 71.9 | Confident | 72.3 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -106.2 | 114.8 | 173.7 | 52 | 0 | 0 | 0 | 0 | 110.6 | P188 A192 Q299 A303 C304 | P188-T190 PolarHBondContact O-N 3.28Å; T190-A192 PolarHBondContact O-N 2.96Å; T190-Q299 HydrophobicContact CG2-CG 4.08Å; T190-A303 HydrophobicContact CG2-CB 4.13Å; T190-A303 PolarHBondContact N-O 3.36Å; T190-A303 WeakPolarHBondContact OG1-CB 3.44Å; T190-A303 PolarHBondContact OG1-O 3.09Å; T190-C304 WeakPolarHBondContact OG1-CA 3.33Å; T190-C304 PolarHBondContact OG1-N 3.39Å; T190-C304 VanDerWaalsContact OG1-N 3.15Å; T190-C304 PolarHBondContact OG1-SG 2.95Å; T190-C304 VanDerWaalsContact OG1-SG 3.4Å |
| 191 | L | 67.3 | Low | 72.6 | Confident | 118 Ų | 118 | 72.2 Ų | 72.2 | 62% | 0.618 | 37% | 0.373 | S | S | * | . | trans | -72.5 | 97.5 | -179.7 | -156 | 87.6 | 0 | 0 | 0 | 111.3 | P188 V208 | P188-L191 HydrophobicContact CG-CD1 4.44Å; L191-V208 HydrophobicContact CB-CG1 4Å; L191-V208 HydrophobicContact CB-CG2 4.39Å; L191-V208 HydrophobicContact CD2-CB 4.49Å; L191-V208 HydrophobicContact CD2-CG1 3.85Å; L191-V208 HydrophobicContact CD2-CG2 3.76Å | ||
| 192 | A | 65.4 | Low | 72.9 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | trans | -110.7 | 134 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | T190 K197 Y201 C304 | T190-A192 PolarHBondContact O-N 2.96Å; A192-K197 HydrophobicContact CB-CG 4.06Å; A192-K197 VanDerWaalsContact O-CE 3.23Å; A192-K197 WeakPolarHBondContact O-CE 3.49Å; A192-Y201 HydrophobicContact CB-CD2 4.24Å; A192-Y201 HydrophobicContact CB-CE2 4.31Å; A192-C304 HydrophobicContact CB-CB 4.18Å | ||
| 193 | L | 65.3 | Low | 72.8 | Confident | 112 Ų | 112 | 71 Ų | 71 | 59% | 0.586 | 36% | 0.356 | S | S | * | . | trans | -52.3 | 146.6 | 164.7 | -66.6 | 167.6 | 0 | 0 | 0 | 109.6 | D195 R196 | L193-D195 PolarHBondContact O-N 3.07Å; L193-D195 VanDerWaalsContact O-N 3.11Å; L193-R196 HydrophobicContact CB-CG 4.46Å; L193-R196 PolarHBondContact O-N 3.37Å | ||
| 194 | S | 63.3 | Low | 72.3 | Confident | 85 Ų | 85 | 67.1 Ų | 67.1 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -42.4 | -48.3 | 177 | 41.7 | 0 | 0 | 0 | 0 | 112.5 | R196 | S194-R196 PolarHBondContact O-N 2.92Š|
| 195 | D | 68.8 | Low | 71.5 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 68% | 0.679 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -79.2 | -1.7 | -170.3 | -45.1 | -4.2 | 0 | 0 | 0 | 112.7 | L193 | L193-D195 PolarHBondContact O-N 3.07Å; L193-D195 VanDerWaalsContact O-N 3.11Å |
| 196 | R | 77.2 | Confident | 70.8 | Confident | 130 Ų | 130 | 74.1 Ų | 74.1 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -124.5 | 35.4 | -176.7 | -59.5 | -169.3 | -176.2 | -169.8 | 2.1 | 112.5 | L193 S194 Y201 | L193-R196 HydrophobicContact CB-CG 4.46Å; L193-R196 PolarHBondContact O-N 3.37Å; S194-R196 PolarHBondContact O-N 2.92Å; R196-Y201 VanDerWaalsContact O-CA 3.23Å; R196-Y201 WeakPolarHBondContact O-CA 3.24Å; R196-Y201 WeakPolarHBondContact O-CD2 3.17Å |
| 197 | K | 83 | Confident | 69.6 | Low | 43 Ų | 43 | 74.1 Ų | 74.1 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -105 | 163.5 | 173.1 | -54.9 | -168.4 | -176.6 | -166.6 | 0 | 111.4 | A192 R199 H200 C304 V305 P361 | A192-K197 HydrophobicContact CB-CG 4.06Å; A192-K197 VanDerWaalsContact O-CE 3.23Å; A192-K197 WeakPolarHBondContact O-CE 3.49Å; K197-R199 PolarHBondContact O-N 3.13Å; K197-H200 PolarHBondContact O-N 2.92Å; K197-C304 HydrophobicContact CB-CB 4.48Å; K197-C304 HydrophobicContact CD-CB 4.11Å; K197-C304 VanDerWaalsContact CE-O 3.29Å; K197-C304 WeakPolarHBondContact CE-O 3.28Å; K197-C304 HydrophobicContact CG-CB 4.12Å; K197-C304 PolarHBondContact NZ-O 3.16Å; K197-V305 HydrophobicContact CD-CG2 3.96Å; K197-P361 HydrophobicContact CB-CG 3.94Å |
| 198 | G | 86 | Confident | 68.2 | Low | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | 55.4 | -129.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H200 Y201 A300 Y301 | G198-H200 PolarHBondContact O-N 3.37Å; G198-H200 VanDerWaalsContact O-N 3.08Å; G198-Y201 WeakPolarHBondContact O-CB 3.41Å; G198-Y201 PolarHBondContact O-N 3.37Å; G198-A300 WeakPolarHBondContact CA-O 3.16Å; G198-A300 PolarHBondContact N-O 3.45Å; G198-Y301 VanDerWaalsContact CA-CZ 3.48Å |
| 199 | R | 86.1 | Confident | 66.3 | Low | 61 Ų | 61 | 75 Ų | 75 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -53.4 | -32.4 | -179.2 | 74.6 | -169.8 | -171.7 | 175.4 | 2.1 | 114.2 | K197 Y201 Y301 W357 E427 I430 | K197-R199 PolarHBondContact O-N 3.13Å; R199-Y201 VanDerWaalsContact C-N 3.34Å; R199-Y301 PolarHBondContact N-OH 3.39Å; R199-Y301 VanDerWaalsContact N-OH 3.15Å; R199-W357 WeakPolarHBondContact CD-O 3.37Å; R199-W357 PolarHBondContact NH1-O 3.42Å; R199-E427 HydrophobicContact CB-CB 4.39Å; R199-E427 HydrophobicContact CB-CG 4.46Å; R199-E427 PolarHBondContact O-N 3.2Å; R199-I430 HydrophobicContact CB-CD1 4.3Å |
| 200 | H | 85 | Confident | 64.7 | Low | 67 Ų | 67 | 80.9 Ų | 80.9 | 31% | 0.31 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -87 | -1.1 | -178.1 | -67.3 | -37.6 | 0 | 0 | 0 | 114 | K197 G198 E427 | K197-H200 PolarHBondContact O-N 2.92Å; G198-H200 PolarHBondContact O-N 3.37Å; G198-H200 VanDerWaalsContact O-N 3.08Å; H200-E427 IonicContact CE1-OE2 3.75Å; H200-E427 IonicContact ND1-OE2 3.92Å |
| 201 | Y | 84.3 | Confident | 63.2 | Low | 25 Ų | 25 | 87.6 Ų | 87.6 | 10% | 0.098 | 47% | 0.472 | C | S | . | . | trans | -63.9 | 138.2 | 173.9 | -176.9 | -98.8 | 0 | 0 | 0 | 111.7 | A192 R196 G198 R199 E203 Q299 A300 C304 K425 T426 | A192-Y201 HydrophobicContact CB-CD2 4.24Å; A192-Y201 HydrophobicContact CB-CE2 4.31Å; R196-Y201 VanDerWaalsContact O-CA 3.23Å; R196-Y201 WeakPolarHBondContact O-CA 3.24Å; R196-Y201 WeakPolarHBondContact O-CD2 3.17Å; G198-Y201 WeakPolarHBondContact O-CB 3.41Å; G198-Y201 PolarHBondContact O-N 3.37Å; R199-Y201 VanDerWaalsContact C-N 3.34Å; Y201-E203 HydrophobicContact CE1-CB 4.47Å; Y201-Q299 HydrophobicContact CE1-CB 4.39Å; Y201-Q299 HydrophobicContact CE1-CG 4Å; Y201-Q299 PolarHBondContact OH-NE2 3.16Å; Y201-A300 HydrophobicContact CD1-CB 3.83Å; Y201-A300 HydrophobicContact CG-CB 3.87Å; Y201-C304 WeakPolarHBondContact CD2-SG 3.25Å; Y201-C304 WeakPolarHBondContact CE2-SG 3.29Å; Y201-K425 WeakPolarHBondContact O-CA 3.33Å; Y201-T426 PolarHBondContact O-N 3.42Å; Y201-T426 PolarHBondContact O-OG1 3.05Å; Y201-T426 VanDerWaalsContact O-OG1 3.12Å | ||
| 202 | Q | 80.1 | Confident | 62.1 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -143.9 | 122.2 | 176.3 | 179.5 | 176.6 | -10.3 | 0 | 0 | 109.3 | G204 K425 | Q202-G204 PolarHBondContact O-N 2.92Å; Q202-K425 HydrophobicContact CB-CG 4.31Å |
| 203 | E | 68.6 | Low | 61 | Low | 29 Ų | 29 | 85.9 Ų | 85.9 | 14% | 0.136 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -68.4 | 122.1 | 171.2 | -168.7 | 151.7 | -116.6 | 0 | 0 | 108.4 | Y201 Q299 K421 | Y201-E203 HydrophobicContact CE1-CB 4.47Å; E203-Q299 PolarHBondContact OE1-NE2 3.07Å; E203-Q299 PolarHBondContact OE1-OE1 2.85Å; E203-K421 IonicContact OE1-NZ 3.96Å; E203-K421 PolarHBondContact OE1-NZ 3.02Å; E203-K421 IonicContact OE2-NZ 2.67Å; E203-K421 PolarHBondContact OE2-NZ 2.97Å |
| 204 | G | 55.9 | Low | 60.2 | Low | 61 Ų | 61 | 81.9 Ų | 81.9 | 63% | 0.629 | 44% | 0.44 | S | S | * | . | trans | 140 | 6.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q202 K206 | Q202-G204 PolarHBondContact O-N 2.92Å; G204-K206 PolarHBondContact O-N 3.17Å; G204-K206 VanDerWaalsContact O-N 3.14Å | ||
| 205 | S | 47.8 | Very low | 59.3 | Low | 67 Ų | 67 | 80.6 Ų | 80.6 | 47% | 0.469 | 43% | 0.43 | S | S | . | . | trans | -73.1 | 101.2 | 169.9 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | N207 | S205-N207 PolarHBondContact O-N 3.01Š| ||
| 206 | K | 47.1 | Very low | 57.9 | Low | 199 Ų | 199 | 75.3 Ų | 75.3 | 87% | 0.865 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -0.6 | -176.3 | -64.9 | -175.4 | 177.5 | -178.3 | 0 | 115.2 | G204 | G204-K206 PolarHBondContact O-N 3.17Å; G204-K206 VanDerWaalsContact O-N 3.14Å |
| 207 | N | 39.9 | Very low | 56.4 | Low | 144 Ų | 144 | 70 Ų | 70 | 77% | 0.77 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 12.4 | -163.3 | -64.4 | 17.2 | 0 | 0 | 0 | 114.3 | S205 | S205-N207 PolarHBondContact O-N 3.01Š|
| 208 | V | 41.7 | Very low | 54.4 | Low | 67 Ų | 67 | 69.3 Ų | 69.3 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | trans | -129.1 | 83.7 | 175.6 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | L191 N210 | L191-V208 HydrophobicContact CB-CG1 4Å; L191-V208 HydrophobicContact CB-CG2 4.39Å; L191-V208 HydrophobicContact CD2-CB 4.49Å; L191-V208 HydrophobicContact CD2-CG1 3.85Å; L191-V208 HydrophobicContact CD2-CG2 3.76Å; V208-N210 HydrophobicContact CG1-CB 4.29Å; V208-N210 PolarHBondContact O-N 3.07Å | ||
| 209 | A | 34.3 | Very low | 52.4 | Low | 91 Ų | 91 | 73 Ų | 73 | 75% | 0.752 | 42% | 0.421 | S | S | * | . | trans | -88.1 | 17.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q211 | A209-Q211 PolarHBondContact O-N 3.43Š| ||
| 210 | N | 39 | Very low | 50.7 | Low | 146 Ų | 146 | 73.1 Ų | 73.1 | 78% | 0.781 | 43% | 0.429 | S | S | * | . | trans | -73.9 | 102.1 | 175.4 | -84.3 | 25.6 | 0 | 0 | 0 | 109.7 | V208 I212 | V208-N210 HydrophobicContact CG1-CB 4.29Å; V208-N210 PolarHBondContact O-N 3.07Å; N210-I212 PolarHBondContact O-N 3.06Å | ||
| 211 | Q | 40.9 | Very low | 49.3 | Very low | 151 Ų | 151 | 73.7 Ų | 73.7 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | trans | -75.8 | 75.9 | -158.6 | -171.5 | -172.7 | -26.6 | 0 | 0 | 113.6 | A209 T213 | A209-Q211 PolarHBondContact O-N 3.43Å; Q211-T213 HydrophobicContact CG-CG2 3.88Å; Q211-T213 WeakPolarHBondContact CG-OG1 3.36Å; Q211-T213 PolarHBondContact NE2-OG1 3.12Å; Q211-T213 PolarHBondContact O-N 2.81Å | ||
| 212 | I | 45.3 | Very low | 48.3 | Very low | 53 Ų | 53 | 74 Ų | 74 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | trans | -80.4 | 67.4 | 155.5 | -48.5 | -176.5 | 0 | 0 | 0 | 108.5 | P48 N210 A216 | P48-I212 VanDerWaalsContact CG-O 3.28Å; P48-I212 WeakPolarHBondContact CG-O 3.43Å; N210-I212 PolarHBondContact O-N 3.06Å; I212-A216 HydrophobicContact CG2-CB 3.97Å | ||
| 213 | T | 42.1 | Very low | 47.8 | Very low | 49 Ų | 49 | 77.2 Ų | 77.2 | 30% | 0.301 | 45% | 0.447 | S | S | . | . | trans | -64.3 | 172.1 | 162.5 | 30.8 | 0 | 0 | 0 | 0 | 110.2 | Q211 S215 A216 | Q211-T213 HydrophobicContact CG-CG2 3.88Å; Q211-T213 WeakPolarHBondContact CG-OG1 3.36Å; Q211-T213 PolarHBondContact NE2-OG1 3.12Å; Q211-T213 PolarHBondContact O-N 2.81Å; T213-S215 WeakPolarHBondContact CB-OG 3.26Å; T213-S215 CarbonylContact O-C 3.58Å; T213-S215 PolarHBondContact O-N 3.49Å; T213-S215 PolarHBondContact O-OG 3.29Å; T213-S215 PolarHBondContact OG1-OG 2.95Å; T213-A216 PolarHBondContact O-N 2.85Å | ||
| 214 | W | 48.3 | Very low | 47.9 | Very low | 28 Ų | 28 | 84.2 Ų | 84.2 | 11% | 0.106 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -8.3 | 169.2 | -91.6 | 84 | 0 | 0 | 0 | 114.8 | L40 S47 V100 A216 L217 G218 | L40-W214 HydrophobicContact CD1-CH2 4.1Å; S47-W214 PolarHBondContact OG-NE1 3.26Å; V100-W214 HydrophobicContact CG1-CD2 4.31Å; V100-W214 HydrophobicContact CG1-CH2 4.28Å; V100-W214 HydrophobicContact CG1-CZ2 4.04Å; W214-A216 PolarHBondContact O-N 3.44Å; W214-L217 HydrophobicContact CE3-CB 4.11Å; W214-L217 HydrophobicContact CE3-CD1 4.02Å; W214-L217 HydrophobicContact CH2-CD1 4.27Å; W214-L217 HydrophobicContact CZ3-CB 4.36Å; W214-L217 HydrophobicContact CZ3-CD1 3.54Å; W214-L217 PolarHBondContact O-N 2.93Å; W214-G218 PolarHBondContact O-N 3.01Å |
| 215 | S | 43.2 | Very low | 48.6 | Very low | 57 Ų | 57 | 82 Ų | 82 | 40% | 0.399 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -49.9 | -11.8 | 157.2 | 59.2 | 0 | 0 | 0 | 0 | 115.3 | T213 G218 A219 | T213-S215 WeakPolarHBondContact CB-OG 3.26Å; T213-S215 CarbonylContact O-C 3.58Å; T213-S215 PolarHBondContact O-N 3.49Å; T213-S215 PolarHBondContact O-OG 3.29Å; T213-S215 PolarHBondContact OG1-OG 2.95Å; S215-G218 CarbonylContact O-C 3.36Å; S215-G218 PolarHBondContact O-N 3.31Å; S215-A219 VanDerWaalsContact O-CA 3.26Å; S215-A219 WeakPolarHBondContact O-CA 3.41Å; S215-A219 WeakPolarHBondContact O-CB 3.42Å; S215-A219 PolarHBondContact O-N 3.24Å |
| 216 | A | 40.7 | Very low | 49.9 | Very low | 17 Ų | 17 | 81.7 Ų | 81.7 | 14% | 0.14 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.6 | -58.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I212 T213 W214 G218 A219 | I212-A216 HydrophobicContact CG2-CB 3.97Å; T213-A216 PolarHBondContact O-N 2.85Å; W214-A216 PolarHBondContact O-N 3.44Å; A216-G218 PolarHBondContact O-N 2.87Å; A216-G218 VanDerWaalsContact O-N 3.15Å; A216-A219 PolarHBondContact O-N 2.96Å |
| 217 | L | 44.8 | Very low | 51.6 | Low | 17 Ų | 17 | 76 Ų | 76 | 9% | 0.089 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.1 | -14.3 | 170.1 | -96.1 | 155.8 | 0 | 0 | 0 | 113.1 | L175 I178 W214 A225 | L175-L217 HydrophobicContact CD1-CD1 4.48Å; L175-L217 HydrophobicContact CD2-CD1 3.77Å; L175-L217 HydrophobicContact CD2-CG 3.81Å; L175-L217 HydrophobicContact CG-CD1 4.14Å; L175-L217 HydrophobicContact CG-CG 4.35Å; I178-L217 HydrophobicContact CD1-CD2 4.18Å; I178-L217 HydrophobicContact CD1-CG 4.43Å; W214-L217 HydrophobicContact CE3-CB 4.11Å; W214-L217 HydrophobicContact CE3-CD1 4.02Å; W214-L217 HydrophobicContact CH2-CD1 4.27Å; W214-L217 HydrophobicContact CZ3-CB 4.36Å; W214-L217 HydrophobicContact CZ3-CD1 3.54Å; W214-L217 PolarHBondContact O-N 2.93Å; L217-A225 HydrophobicContact CD2-CB 4.12Å |
| 218 | G | 42.2 | Very low | 53.7 | Low | 29 Ų | 29 | 71.8 Ų | 71.8 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -101.1 | -6.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117 | W214 S215 A216 P222 | W214-G218 PolarHBondContact O-N 3.01Å; S215-G218 CarbonylContact O-C 3.36Å; S215-G218 PolarHBondContact O-N 3.31Å; A216-G218 PolarHBondContact O-N 2.87Å; A216-G218 VanDerWaalsContact O-N 3.15Å; G218-P222 WeakPolarHBondContact O-CD 3.38Å |
| 219 | A | 43.7 | Very low | 55.8 | Low | 77 Ų | 77 | 69.6 Ų | 69.6 | 64% | 0.636 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -81.6 | -41 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S215 A216 | S215-A219 VanDerWaalsContact O-CA 3.26Å; S215-A219 WeakPolarHBondContact O-CA 3.41Å; S215-A219 WeakPolarHBondContact O-CB 3.42Å; S215-A219 PolarHBondContact O-N 3.24Å; A216-A219 PolarHBondContact O-N 2.96Å |
| 220 | V | 49 | Very low | 58.3 | Low | 64 Ų | 64 | 68 Ų | 68 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -100.6 | -21.8 | -170.5 | -147.4 | 0 | 0 | 0 | 0 | 112.6 | I178 | I178-V220 HydrophobicContact CB-CG2 4.24Å; I178-V220 HydrophobicContact CG1-CB 4.24Å; I178-V220 HydrophobicContact CG1-CG2 3.87Å; I178-V220 HydrophobicContact CG2-CG2 3.74Å |
| 221 | N | 57 | Low | 60.8 | Low | 79 Ų | 79 | 63 Ų | 63 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | trans | 170 | 114.1 | 148.5 | -103.3 | -74.1 | 0 | 0 | 0 | 110.5 | W223 Y224 | N221-W223 PolarHBondContact O-N 3.5Å; N221-Y224 HydrophobicContact CB-CD2 3.52Å; N221-Y224 HydrophobicContact CB-CE2 3.7Å | ||
| 222 | P | 62.2 | Low | 63.2 | Low | 33 Ų | 33 | 57.7 Ų | 57.7 | 21% | 0.214 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.5 | -23.5 | 179.5 | 27.5 | -32.4 | 0 | 0 | 0 | 112.5 | I101 G218 Y224 A225 F226 | I101-P222 HydrophobicContact CG2-CB 4.41Å; G218-P222 WeakPolarHBondContact O-CD 3.38Å; P222-Y224 VanDerWaalsContact C-N 3.32Å; P222-Y224 PolarHBondContact O-N 3.07Å; P222-A225 PolarHBondContact O-N 3.5Å; P222-F226 WeakPolarHBondContact O-CB 3.09Å; P222-F226 PolarHBondContact O-N 2.83Å |
| 223 | W | 69 | Low | 65.4 | Low | 163 Ų | 163 | 55.1 Ų | 55.1 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.7 | -30.8 | -175.2 | -56.3 | 115.9 | 0 | 0 | 0 | 113.9 | N221 S227 | N221-W223 PolarHBondContact O-N 3.5Å; W223-S227 VanDerWaalsContact O-CB 3.27Å; W223-S227 WeakPolarHBondContact O-CB 3.42Å; W223-S227 PolarHBondContact O-N 3.42Å |
| 224 | Y | 72.6 | Confident | 67.8 | Low | 176 Ų | 176 | 54.2 Ų | 54.2 | 69% | 0.69 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.3 | -46.7 | 176.8 | -68.4 | -65.2 | 0 | 0 | 0 | 111.8 | N221 P222 S227 L228 | N221-Y224 HydrophobicContact CB-CD2 3.52Å; N221-Y224 HydrophobicContact CB-CE2 3.7Å; P222-Y224 VanDerWaalsContact C-N 3.32Å; P222-Y224 PolarHBondContact O-N 3.07Å; Y224-S227 PolarHBondContact O-N 3.25Å; Y224-L228 WeakPolarHBondContact O-CB 3.2Å; Y224-L228 PolarHBondContact O-N 2.79Å |
| 225 | A | 70.5 | Confident | 69.9 | Low | 14 Ų | 14 | 56 Ų | 56 | 12% | 0.116 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L217 P222 L228 Y229 | L217-A225 HydrophobicContact CD2-CB 4.12Å; P222-A225 PolarHBondContact O-N 3.5Å; A225-L228 PolarHBondContact O-N 3.42Å; A225-Y229 HydrophobicContact CB-CE2 4.45Å; A225-Y229 WeakPolarHBondContact O-CD2 3.48Å; A225-Y229 PolarHBondContact O-N 3.33Å |
| 226 | F | 75.3 | Confident | 72.3 | Confident | 62 Ų | 62 | 53.2 Ų | 53.2 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.2 | -54.7 | 173.8 | -177.5 | -84.7 | 0 | 0 | 0 | 111.6 | I97 P98 I101 P222 L228 Y229 F230 | I97-F226 HydrophobicContact CG2-CD2 4.07Å; P98-F226 HydrophobicContact CG-CE2 4.29Å; I101-F226 HydrophobicContact CD1-CB 4.4Å; I101-F226 HydrophobicContact CD1-CD2 4.09Å; P222-F226 WeakPolarHBondContact O-CB 3.09Å; P222-F226 PolarHBondContact O-N 2.83Å; F226-L228 VanDerWaalsContact C-N 3.27Å; F226-L228 PolarHBondContact O-N 3.24Å; F226-Y229 PolarHBondContact O-N 2.65Å; F226-F230 AromaticContact CD1-CD2 4Å; F226-F230 HydrophobicContact CD1-CD2 4Å; F226-F230 HydrophobicContact CD1-CE2 4.37Å; F226-F230 HydrophobicContact CD1-CG 4.39Å; F226-F230 HydrophobicContact CD2-CD2 4Å; F226-F230 AromaticContact CD2-CE2 3.71Å; F226-F230 HydrophobicContact CD2-CE2 3.71Å; F226-F230 HydrophobicContact CE1-CD1 4.29Å; F226-F230 AromaticContact CE1-CD2 3.81Å; F226-F230 HydrophobicContact CE1-CD2 3.81Å; F226-F230 HydrophobicContact CE1-CE1 4.42Å; F226-F230 AromaticContact CE1-CE2 3.95Å; F226-F230 HydrophobicContact CE1-CE2 3.95Å; F226-F230 AromaticContact CE1-CG 4Å; F226-F230 HydrophobicContact CE1-CG 4Å; F226-F230 HydrophobicContact CE1-CZ 4.26Å; F226-F230 AromaticContact CE2-CD2 3.83Å; F226-F230 HydrophobicContact CE2-CD2 3.83Å; F226-F230 AromaticContact CE2-CE2 3.22Å; F226-F230 HydrophobicContact CE2-CE2 3.22Å; F226-F230 AromaticContact CE2-CZ 3.64Å; F226-F230 HydrophobicContact CE2-CZ 3.64Å; F226-F230 HydrophobicContact CG-CD2 4.09Å; F226-F230 HydrophobicContact CG-CE2 4.27Å; F226-F230 HydrophobicContact CZ-CD1 4.24Å; F226-F230 AromaticContact CZ-CD2 3.72Å; F226-F230 HydrophobicContact CZ-CD2 3.72Å; F226-F230 AromaticContact CZ-CE1 3.92Å; F226-F230 HydrophobicContact CZ-CE1 3.92Å; F226-F230 AromaticContact CZ-CE2 3.35Å; F226-F230 HydrophobicContact CZ-CE2 3.35Å; F226-F230 HydrophobicContact CZ-CG 4.16Å; F226-F230 AromaticContact CZ-CZ 3.46Å; F226-F230 HydrophobicContact CZ-CZ 3.46Å; F226-F230 VanDerWaalsContact CZ-CZ 3.46Å; F226-F230 WeakPolarHBondContact O-CB 3.31Å; F226-F230 WeakPolarHBondContact O-CD2 3.37Å; F226-F230 PolarHBondContact O-N 3.41Å |
| 227 | S | 81.9 | Confident | 74.8 | Confident | 80 Ų | 80 | 53.8 Ų | 53.8 | 56% | 0.559 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62 | -34.2 | -178.6 | -171.6 | 0 | 0 | 0 | 0 | 112.7 | W223 Y224 G231 | W223-S227 VanDerWaalsContact O-CB 3.27Å; W223-S227 WeakPolarHBondContact O-CB 3.42Å; W223-S227 PolarHBondContact O-N 3.42Å; Y224-S227 PolarHBondContact O-N 3.25Å; S227-G231 PolarHBondContact O-N 2.83Å |
| 228 | L | 83.8 | Confident | 77.1 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.5 | -53.3 | 177.6 | -180 | 63.2 | 0 | 0 | 0 | 111.6 | L170 Y224 A225 F226 G231 W232 | L170-L228 HydrophobicContact CB-CD2 4.11Å; L170-L228 HydrophobicContact CD1-CD1 3.94Å; L170-L228 HydrophobicContact CD1-CD2 3.99Å; L170-L228 HydrophobicContact CD1-CG 4.45Å; Y224-L228 WeakPolarHBondContact O-CB 3.2Å; Y224-L228 PolarHBondContact O-N 2.79Å; A225-L228 PolarHBondContact O-N 3.42Å; F226-L228 VanDerWaalsContact C-N 3.27Å; F226-L228 PolarHBondContact O-N 3.24Å; L228-G231 PolarHBondContact O-N 3.25Å; L228-W232 PolarHBondContact O-N 3.36Å; L228-W232 VanDerWaalsContact O-N 3.07Å |
| 229 | Y | 85.2 | Confident | 79.5 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 8% | 0.078 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | -179.9 | -68.8 | -57.7 | 0 | 0 | 0 | 111.9 | C36 S171 A225 F226 G231 W232 I233 | C36-Y229 HydrophobicContact CB-CD1 3.88Å; C36-Y229 HydrophobicContact CB-CE1 4.48Å; S171-Y229 PolarHBondContact OG-OH 2.92Å; A225-Y229 HydrophobicContact CB-CE2 4.45Å; A225-Y229 WeakPolarHBondContact O-CD2 3.48Å; A225-Y229 PolarHBondContact O-N 3.33Å; F226-Y229 PolarHBondContact O-N 2.65Å; Y229-G231 PolarHBondContact O-N 3.37Å; Y229-W232 PolarHBondContact O-N 3.38Å; Y229-I233 WeakPolarHBondContact O-CD1 3.23Å; Y229-I233 VanDerWaalsContact O-CG1 3.31Å; Y229-I233 WeakPolarHBondContact O-CG1 3.47Å; Y229-I233 PolarHBondContact O-N 3.37Å |
| 230 | F | 87.9 | Confident | 81.8 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 25% | 0.25 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 174.3 | -89.9 | -107.5 | 0 | 0 | 0 | 112.2 | M94 I97 F226 W232 G234 | M94-F230 HydrophobicContact CB-CE1 3.9Å; M94-F230 HydrophobicContact CB-CZ 4.04Å; M94-F230 HydrophobicContact CE-CD1 4.07Å; M94-F230 HydrophobicContact CG-CE1 4.31Å; M94-F230 VanDerWaalsContact O-CZ 3.24Å; M94-F230 WeakPolarHBondContact O-CZ 3.39Å; M94-F230 HydrophobicContact SD-CB 4.36Å; M94-F230 HydrophobicContact SD-CD1 3.46Å; M94-F230 WeakPolarHBondContact SD-CD1 3.09Å; M94-F230 HydrophobicContact SD-CD2 4.39Å; M94-F230 HydrophobicContact SD-CE1 3.72Å; M94-F230 HydrophobicContact SD-CG 3.83Å; M94-F230 HydrophobicContact SD-CZ 4.29Å; I97-F230 HydrophobicContact CB-CE2 3.86Å; I97-F230 HydrophobicContact CD1-CD2 3.92Å; I97-F230 HydrophobicContact CD1-CE2 3.89Å; I97-F230 HydrophobicContact CG2-CD2 4.28Å; I97-F230 HydrophobicContact CG2-CE2 3.81Å; F226-F230 AromaticContact CD1-CD2 4Å; F226-F230 HydrophobicContact CD1-CD2 4Å; F226-F230 HydrophobicContact CD1-CE2 4.37Å; F226-F230 HydrophobicContact CD1-CG 4.39Å; F226-F230 HydrophobicContact CD2-CD2 4Å; F226-F230 AromaticContact CD2-CE2 3.71Å; F226-F230 HydrophobicContact CD2-CE2 3.71Å; F226-F230 HydrophobicContact CE1-CD1 4.29Å; F226-F230 AromaticContact CE1-CD2 3.81Å; F226-F230 HydrophobicContact CE1-CD2 3.81Å; F226-F230 HydrophobicContact CE1-CE1 4.42Å; F226-F230 AromaticContact CE1-CE2 3.95Å; F226-F230 HydrophobicContact CE1-CE2 3.95Å; F226-F230 AromaticContact CE1-CG 4Å; F226-F230 HydrophobicContact CE1-CG 4Å; F226-F230 HydrophobicContact CE1-CZ 4.26Å; F226-F230 AromaticContact CE2-CD2 3.83Å; F226-F230 HydrophobicContact CE2-CD2 3.83Å; F226-F230 AromaticContact CE2-CE2 3.22Å; F226-F230 HydrophobicContact CE2-CE2 3.22Å; F226-F230 AromaticContact CE2-CZ 3.64Å; F226-F230 HydrophobicContact CE2-CZ 3.64Å; F226-F230 HydrophobicContact CG-CD2 4.09Å; F226-F230 HydrophobicContact CG-CE2 4.27Å; F226-F230 HydrophobicContact CZ-CD1 4.24Å; F226-F230 AromaticContact CZ-CD2 3.72Å; F226-F230 HydrophobicContact CZ-CD2 3.72Å; F226-F230 AromaticContact CZ-CE1 3.92Å; F226-F230 HydrophobicContact CZ-CE1 3.92Å; F226-F230 AromaticContact CZ-CE2 3.35Å; F226-F230 HydrophobicContact CZ-CE2 3.35Å; F226-F230 HydrophobicContact CZ-CG 4.16Å; F226-F230 AromaticContact CZ-CZ 3.46Å; F226-F230 HydrophobicContact CZ-CZ 3.46Å; F226-F230 VanDerWaalsContact CZ-CZ 3.46Å; F226-F230 WeakPolarHBondContact O-CB 3.31Å; F226-F230 WeakPolarHBondContact O-CD2 3.37Å; F226-F230 PolarHBondContact O-N 3.41Å; F230-W232 VanDerWaalsContact C-N 3.33Å; F230-W232 PolarHBondContact O-N 3.43Å; F230-G234 PolarHBondContact O-N 2.78Å |
| 231 | G | 90.1 | Very high | 83.8 | Confident | 42 Ų | 42 | 54.9 Ų | 54.9 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S227 L228 Y229 L235 | S227-G231 PolarHBondContact O-N 2.83Å; L228-G231 PolarHBondContact O-N 3.25Å; Y229-G231 PolarHBondContact O-N 3.37Å; G231-L235 WeakPolarHBondContact O-CB 3.38Å; G231-L235 PolarHBondContact O-N 3.09Å |
| 232 | W | 91.4 | Very high | 85.5 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 15% | 0.148 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -46.4 | 177.9 | -84.8 | 23.3 | 0 | 0 | 0 | 113.8 | F32 C36 W166 L170 L228 Y229 F230 G234 L235 S236 | F32-W232 HydrophobicContact CB-CB 4.42Å; F32-W232 WeakPolarHBondContact CB-O 3.45Å; F32-W232 HydrophobicContact CD1-CB 4.38Å; F32-W232 HydrophobicContact CD1-CD2 4.02Å; F32-W232 AromaticContact CD1-CG 3.97Å; F32-W232 HydrophobicContact CD1-CG 3.97Å; C36-W232 VanDerWaalsContact SG-CB 3.52Å; W166-W232 HydrophobicContact CB-CH2 3.69Å; W166-W232 HydrophobicContact CB-CZ2 4.32Å; L170-W232 HydrophobicContact CD1-CH2 3.83Å; L170-W232 HydrophobicContact CD1-CZ2 3.33Å; L170-W232 HydrophobicContact CG-CH2 4.47Å; L170-W232 HydrophobicContact CG-CZ2 4.34Å; L228-W232 PolarHBondContact O-N 3.36Å; L228-W232 VanDerWaalsContact O-N 3.07Å; Y229-W232 PolarHBondContact O-N 3.38Å; F230-W232 VanDerWaalsContact C-N 3.33Å; F230-W232 PolarHBondContact O-N 3.43Å; W232-G234 VanDerWaalsContact C-N 3.31Å; W232-G234 PolarHBondContact O-N 3.15Å; W232-L235 PolarHBondContact O-N 3.14Å; W232-S236 PolarHBondContact O-N 3.42Å |
| 233 | I | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 178.3 | -56.4 | 152.2 | 0 | 0 | 0 | 110.1 | C36 Y90 F93 M94 I97 Y229 L235 S236 V237 | C36-I233 HydrophobicContact CB-CD1 4.38Å; C36-I233 HydrophobicContact CB-CG1 4.19Å; Y90-I233 WeakPolarHBondContact O-CG2 3.49Å; F93-I233 HydrophobicContact CD1-CD1 3.43Å; F93-I233 VanDerWaalsContact CD1-CD1 3.43Å; F93-I233 HydrophobicContact CD1-CG1 3.91Å; F93-I233 HydrophobicContact CE1-CD1 3.68Å; F93-I233 HydrophobicContact CE1-CG1 4.24Å; M94-I233 HydrophobicContact CE-CB 3.73Å; M94-I233 HydrophobicContact CE-CG2 3.8Å; M94-I233 HydrophobicContact CG-CG2 3.96Å; M94-I233 HydrophobicContact SD-CB 3.61Å; M94-I233 HydrophobicContact SD-CD1 3.74Å; M94-I233 HydrophobicContact SD-CG1 4.33Å; M94-I233 HydrophobicContact SD-CG2 3.7Å; I97-I233 HydrophobicContact CD1-CD1 3.39Å; Y229-I233 WeakPolarHBondContact O-CD1 3.23Å; Y229-I233 VanDerWaalsContact O-CG1 3.31Å; Y229-I233 WeakPolarHBondContact O-CG1 3.47Å; Y229-I233 PolarHBondContact O-N 3.37Å; I233-L235 VanDerWaalsContact C-N 3.32Å; I233-L235 PolarHBondContact O-N 2.96Å; I233-S236 WeakPolarHBondContact O-CB 3.36Å; I233-S236 PolarHBondContact O-N 3.48Å; I233-S236 VanDerWaalsContact O-N 3.16Å; I233-V237 WeakPolarHBondContact O-CG2 3.5Å; I233-V237 PolarHBondContact O-N 3.28Å |
| 234 | G | 92.4 | Very high | 87.8 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | F230 W232 V237 L238 | F230-G234 PolarHBondContact O-N 2.78Å; W232-G234 VanDerWaalsContact C-N 3.31Å; W232-G234 PolarHBondContact O-N 3.15Å; G234-V237 PolarHBondContact O-N 3.31Å; G234-L238 VanDerWaalsContact O-CB 3.3Å; G234-L238 WeakPolarHBondContact O-CB 3.24Å; G234-L238 PolarHBondContact O-N 2.95Å |
| 235 | L | 93 | Very high | 88.4 | Confident | 64 Ų | 64 | 46 Ų | 46 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 173.5 | -176.5 | 55.8 | 0 | 0 | 0 | 112.4 | F32 G231 W232 I233 L238 L239 | F32-L235 HydrophobicContact CD1-CD2 4.23Å; F32-L235 HydrophobicContact CD2-CD2 4.09Å; F32-L235 HydrophobicContact CD2-CG 4.04Å; F32-L235 HydrophobicContact CE1-CD2 3.75Å; F32-L235 HydrophobicContact CE2-CD2 3.6Å; F32-L235 HydrophobicContact CE2-CG 3.89Å; F32-L235 HydrophobicContact CG-CD2 4.4Å; F32-L235 HydrophobicContact CZ-CD2 3.41Å; F32-L235 VanDerWaalsContact CZ-CD2 3.41Å; F32-L235 HydrophobicContact CZ-CG 4.22Å; G231-L235 WeakPolarHBondContact O-CB 3.38Å; G231-L235 PolarHBondContact O-N 3.09Å; W232-L235 PolarHBondContact O-N 3.14Å; I233-L235 VanDerWaalsContact C-N 3.32Å; I233-L235 PolarHBondContact O-N 2.96Å; L235-L238 HydrophobicContact CD1-CD2 4.44Å; L235-L238 PolarHBondContact O-N 3.45Å; L235-L239 HydrophobicContact CD1-CD1 4.23Å; L235-L239 HydrophobicContact CD1-CG 4.11Å; L235-L239 HydrophobicContact CG-CD1 4.09Å; L235-L239 HydrophobicContact CG-CG 4.45Å; L235-L239 WeakPolarHBondContact O-CB 3.47Å; L235-L239 VanDerWaalsContact O-CG 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.39Å; L235-L239 PolarHBondContact O-N 2.84Å |
| 236 | S | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 173.3 | -175 | 0 | 0 | 0 | 0 | 112.3 | S29 Y90 W232 I233 T240 | S29-S236 WeakPolarHBondContact O-CB 3.41Å; S29-S236 PolarHBondContact O-OG 2.65Å; S29-S236 PolarHBondContact OG-O 3.33Å; S29-S236 PolarHBondContact OG-OG 3.16Å; Y90-S236 VanDerWaalsContact CE2-OG 3.32Å; Y90-S236 WeakPolarHBondContact CE2-OG 3.42Å; W232-S236 PolarHBondContact O-N 3.42Å; I233-S236 WeakPolarHBondContact O-CB 3.36Å; I233-S236 PolarHBondContact O-N 3.48Å; I233-S236 VanDerWaalsContact O-N 3.16Å; S236-T240 PolarHBondContact O-N 3.4Å; S236-T240 VanDerWaalsContact O-N 3.14Å |
| 237 | V | 93.4 | Very high | 88.2 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 17% | 0.17 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 174.5 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | L87 Y90 I233 G234 L239 T240 L241 | L87-V237 HydrophobicContact CD2-CB 4.41Å; L87-V237 HydrophobicContact CD2-CG1 4.07Å; L87-V237 HydrophobicContact CD2-CG2 4.46Å; Y90-V237 HydrophobicContact CD2-CG2 3.99Å; Y90-V237 HydrophobicContact CG-CG2 4.26Å; I233-V237 WeakPolarHBondContact O-CG2 3.5Å; I233-V237 PolarHBondContact O-N 3.28Å; G234-V237 PolarHBondContact O-N 3.31Å; V237-L239 PolarHBondContact O-N 3.47Å; V237-T240 PolarHBondContact O-N 3.34Å; V237-L241 HydrophobicContact CG1-CD1 3.67Å; V237-L241 HydrophobicContact CG1-CG 4.3Å; V237-L241 WeakPolarHBondContact O-CB 3.38Å; V237-L241 WeakPolarHBondContact O-CG 3.5Å; V237-L241 PolarHBondContact O-N 2.95Å |
| 238 | L | 93.6 | Very high | 87 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | -179.7 | -172.2 | 67.5 | 0 | 0 | 0 | 112.2 | G234 L235 L241 L242 | G234-L238 VanDerWaalsContact O-CB 3.3Å; G234-L238 WeakPolarHBondContact O-CB 3.24Å; G234-L238 PolarHBondContact O-N 2.95Å; L235-L238 HydrophobicContact CD1-CD2 4.44Å; L235-L238 PolarHBondContact O-N 3.45Å; L238-L241 PolarHBondContact O-N 3.35Å; L238-L242 HydrophobicContact CD1-CD1 3.62Å; L238-L242 HydrophobicContact CD1-CG 4.01Å; L238-L242 HydrophobicContact CG-CD1 3.95Å; L238-L242 HydrophobicContact CG-CG 4.44Å; L238-L242 WeakPolarHBondContact O-CB 3.37Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.33Å |
| 239 | L | 93.6 | Very high | 85.6 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.4 | -71 | 168.2 | 0 | 0 | 0 | 111.6 | C28 F32 L235 V237 L243 | C28-L239 HydrophobicContact CB-CD1 4.43Å; F32-L239 HydrophobicContact CD2-CD1 3.75Å; F32-L239 HydrophobicContact CE2-CD1 3.67Å; L235-L239 HydrophobicContact CD1-CD1 4.23Å; L235-L239 HydrophobicContact CD1-CG 4.11Å; L235-L239 HydrophobicContact CG-CD1 4.09Å; L235-L239 HydrophobicContact CG-CG 4.45Å; L235-L239 WeakPolarHBondContact O-CB 3.47Å; L235-L239 VanDerWaalsContact O-CG 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.39Å; L235-L239 PolarHBondContact O-N 2.84Å; V237-L239 PolarHBondContact O-N 3.47Å; L239-L243 HydrophobicContact CD2-CD1 3.67Å; L239-L243 WeakPolarHBondContact O-CB 3.27Å; L239-L243 PolarHBondContact O-N 2.92Å |
| 240 | T | 91 | Very high | 83.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 176 | -76.9 | 0 | 0 | 0 | 0 | 111.9 | S29 K83 L87 S236 V237 L244 | S29-T240 WeakPolarHBondContact CB-OG1 3.42Å; S29-T240 PolarHBondContact OG-OG1 3.08Å; K83-T240 WeakPolarHBondContact CE-O 3.32Å; K83-T240 HydrophobicContact CG-CG2 4.14Å; K83-T240 PolarHBondContact NZ-O 3.07Å; L87-T240 HydrophobicContact CD1-CG2 4.21Å; L87-T240 HydrophobicContact CD2-CG2 3.69Å; L87-T240 HydrophobicContact CG-CG2 3.7Å; S236-T240 PolarHBondContact O-N 3.4Å; S236-T240 VanDerWaalsContact O-N 3.14Å; V237-T240 PolarHBondContact O-N 3.34Å; T240-L244 HydrophobicContact CG2-CD2 4.08Å; T240-L244 WeakPolarHBondContact O-CB 3.23Å |
| 241 | L | 91.6 | Very high | 81.6 | Confident | 92 Ų | 92 | 65 Ų | 65 | 48% | 0.482 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 177.4 | -80.5 | 172.9 | 0 | 0 | 0 | 112.8 | K83 L87 V237 L238 | K83-L241 PolarHBondContact NZ-O 3.01Å; L87-L241 HydrophobicContact CD1-CD2 3.59Å; L87-L241 HydrophobicContact CD1-CG 4.12Å; L87-L241 HydrophobicContact CD2-CD2 4.33Å; L87-L241 HydrophobicContact CD2-CG 3.95Å; V237-L241 HydrophobicContact CG1-CD1 3.67Å; V237-L241 HydrophobicContact CG1-CG 4.3Å; V237-L241 WeakPolarHBondContact O-CB 3.38Å; V237-L241 WeakPolarHBondContact O-CG 3.5Å; V237-L241 PolarHBondContact O-N 2.95Å; L238-L241 PolarHBondContact O-N 3.35Å |
| 242 | L | 91.8 | Very high | 79.7 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 68% | 0.675 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -87.4 | -42.7 | -172.4 | -61.9 | -176.1 | 0 | 0 | 0 | 114 | L238 | L238-L242 HydrophobicContact CD1-CD1 3.62Å; L238-L242 HydrophobicContact CD1-CG 4.01Å; L238-L242 HydrophobicContact CG-CD1 3.95Å; L238-L242 HydrophobicContact CG-CG 4.44Å; L238-L242 WeakPolarHBondContact O-CB 3.37Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.33Å |
| 243 | L | 91.8 | Very high | 77.4 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 42% | 0.424 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -103.6 | -23.9 | -164.9 | -58.3 | -179.6 | 0 | 0 | 0 | 114.7 | K21 V25 L239 | K21-L243 PolarHBondContact NZ-O 3.49Å; V25-L243 HydrophobicContact CB-CB 4.37Å; V25-L243 HydrophobicContact CG1-CB 3.69Å; V25-L243 HydrophobicContact CG2-CB 3.68Å; V25-L243 HydrophobicContact CG2-CD1 4.22Å; L239-L243 HydrophobicContact CD2-CD1 3.67Å; L239-L243 WeakPolarHBondContact O-CB 3.27Å; L239-L243 PolarHBondContact O-N 2.92Å |
| 244 | L | 88.9 | Confident | 75.3 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -82.7 | 118.3 | -177 | -166.3 | 71.7 | 0 | 0 | 0 | 111.2 | N22 V25 L26 K83 L86 Y129 T240 | N22-L244 HydrophobicContact CB-CD1 4.16Å; N22-L244 WeakPolarHBondContact O-CD1 3.46Å; V25-L244 HydrophobicContact CB-CD1 4.4Å; V25-L244 HydrophobicContact CG1-CB 3.93Å; V25-L244 HydrophobicContact CG1-CD1 4.08Å; L26-L244 HydrophobicContact CB-CD1 4.15Å; K83-L244 WeakPolarHBondContact CD-O 2.88Å; K83-L244 PolarHBondContact NZ-O 2.87Å; L86-L244 HydrophobicContact CD1-CD2 3.87Å; Y129-L244 HydrophobicContact CE1-CD1 3.97Å; Y129-L244 HydrophobicContact CE2-CD1 4.44Å; Y129-L244 HydrophobicContact CE2-CD2 4.33Å; Y129-L244 HydrophobicContact CE2-CG 4.33Å; Y129-L244 WeakPolarHBondContact OH-CD1 3.23Å; T240-L244 HydrophobicContact CG2-CD2 4.08Å; T240-L244 WeakPolarHBondContact O-CB 3.23Å |
| 245 | D | 84.1 | Confident | 73.3 | Confident | 53 Ų | 53 | 73 Ų | 73 | 28% | 0.283 | 36% | 0.358 | S | S | . | . | trans | -71.4 | 146.3 | 179.1 | -54.8 | -32.2 | 0 | 0 | 0 | 111.3 | R18 K21 N22 Y129 L247 | R18-D245 VanDerWaalsContact CD-OD2 3.29Å; R18-D245 WeakPolarHBondContact CD-OD2 3.22Å; R18-D245 WeakPolarHBondContact CG-OD2 3.41Å; K21-D245 IonicContact NZ-OD1 2.75Å; K21-D245 PolarHBondContact NZ-OD1 3.13Å; K21-D245 IonicContact NZ-OD2 2.91Å; K21-D245 PolarHBondContact NZ-OD2 2.87Å; N22-D245 PolarHBondContact ND2-OD2 2.96Å; N22-D245 PolarHBondContact OD1-N 3.03Å; N22-D245 PolarHBondContact OD1-OD2 3.07Å; Y129-D245 PolarHBondContact OH-O 2.8Å; D245-L247 PolarHBondContact O-N 3.5Å | ||
| 246 | R | 74.1 | Confident | 71.4 | Confident | 183 Ų | 183 | 74.7 Ų | 74.7 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | trans | -69.2 | 101.4 | 172.8 | -71.7 | -171.3 | -177.7 | -159.8 | 1.7 | 110 | K83 Q248 | K83-R246 HydrophobicContact CD-CG 4.29Å; R246-Q248 PolarHBondContact O-N 3.39Å | ||
| 247 | L | 68.3 | Low | 69.5 | Low | 28 Ų | 28 | 82.8 Ų | 82.8 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | trans | -78.1 | 88.6 | 176.1 | -165.6 | 75.7 | 0 | 0 | 0 | 110.6 | Y129 N132 D245 V249 | Y129-L247 HydrophobicContact CD2-CB 3.97Å; Y129-L247 HydrophobicContact CD2-CD2 4.12Å; Y129-L247 HydrophobicContact CE2-CB 3.46Å; Y129-L247 VanDerWaalsContact CE2-CB 3.46Å; Y129-L247 HydrophobicContact CE2-CD2 4.23Å; Y129-L247 HydrophobicContact CE2-CG 4.44Å; Y129-L247 HydrophobicContact CG-CD2 4.3Å; N132-L247 HydrophobicContact CB-CD2 3.97Å; D245-L247 PolarHBondContact O-N 3.5Å; L247-V249 HydrophobicContact CD2-CG2 3.91Å; L247-V249 HydrophobicContact CG-CG2 3.82Å | ||
| 248 | Q | 55.7 | Low | 67.9 | Low | 148 Ų | 148 | 82.6 Ų | 82.6 | 69% | 0.692 | 40% | 0.4 | S | S | * | . | trans | -72.2 | 125.7 | 164.6 | -74 | 175.6 | -39.4 | 0 | 0 | 109.3 | R136 R246 | R136-Q248 PolarHBondContact NH2-O 2.89Å; R246-Q248 PolarHBondContact O-N 3.39Å | ||
| 249 | V | 55.1 | Low | 66.6 | Low | 17 Ų | 17 | 80.5 Ų | 80.5 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | trans | -120.3 | 93 | -174.4 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | N132 L247 F251 Y252 | N132-V249 HydrophobicContact CB-CG2 4.08Å; N132-V249 WeakPolarHBondContact OD1-CG1 3.28Å; L247-V249 HydrophobicContact CD2-CG2 3.91Å; L247-V249 HydrophobicContact CG-CG2 3.82Å; V249-F251 HydrophobicContact CG1-CB 4.06Å; V249-F251 HydrophobicContact CG1-CD2 4.44Å; V249-F251 PolarHBondContact O-N 2.88Å; V249-F251 VanDerWaalsContact O-N 3.13Å; V249-Y252 WeakPolarHBondContact O-CB 3.45Å; V249-Y252 PolarHBondContact O-N 3.35Å | ||
| 250 | H | 44.7 | Very low | 65.4 | Low | 156 Ų | 156 | 80.4 Ų | 80.4 | 72% | 0.722 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -58.8 | -24.2 | 178.4 | -69.4 | -69.5 | 0 | 0 | 0 | 114.2 | Y252 A253 | H250-Y252 PolarHBondContact O-N 3.12Å; H250-A253 WeakPolarHBondContact O-CB 3.45Å; H250-A253 PolarHBondContact O-N 2.94Å |
| 251 | F | 45 | Very low | 64.4 | Low | 155 Ų | 155 | 90 Ų | 90 | 68% | 0.68 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -61.4 | -21.5 | 172.7 | -65.2 | -74.1 | 0 | 0 | 0 | 113.6 | V249 A253 | V249-F251 HydrophobicContact CG1-CB 4.06Å; V249-F251 HydrophobicContact CG1-CD2 4.44Å; V249-F251 PolarHBondContact O-N 2.88Å; V249-F251 VanDerWaalsContact O-N 3.13Å; F251-A253 VanDerWaalsContact C-N 3.34Å |
| 252 | Y | 50.7 | Low | 63.6 | Low | 44 Ų | 44 | 91 Ų | 91 | 17% | 0.173 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -80.9 | -11.6 | 174.6 | -128.7 | -94.8 | 0 | 0 | 0 | 113.3 | V249 H250 N254 K255 E256 D400 | V249-Y252 WeakPolarHBondContact O-CB 3.45Å; V249-Y252 PolarHBondContact O-N 3.35Å; H250-Y252 PolarHBondContact O-N 3.12Å; Y252-N254 PolarHBondContact O-N 2.89Å; Y252-N254 VanDerWaalsContact O-N 3.14Å; Y252-K255 HydrophobicContact CD1-CB 3.95Å; Y252-K255 HydrophobicContact CE1-CB 3.93Å; Y252-K255 CarbonylContact O-C 3.5Å; Y252-K255 WeakPolarHBondContact O-CA 3.46Å; Y252-K255 PolarHBondContact O-N 3.09Å; Y252-E256 PolarHBondContact O-N 3.37Å; Y252-D400 PolarHBondContact OH-OD2 3.23Å |
| 253 | A | 42.6 | Very low | 62.5 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.9 | -22.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H250 F251 E256 | H250-A253 WeakPolarHBondContact O-CB 3.45Å; H250-A253 PolarHBondContact O-N 2.94Å; F251-A253 VanDerWaalsContact C-N 3.34Å; A253-E256 WeakPolarHBondContact CA-OE2 3.42Å |
| 254 | N | 46.7 | Very low | 61.7 | Low | 138 Ų | 138 | 84.8 Ų | 84.8 | 74% | 0.738 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -78.6 | -32.4 | 169.2 | -96.7 | -0.4 | 0 | 0 | 0 | 112.7 | Y252 | Y252-N254 PolarHBondContact O-N 2.89Å; Y252-N254 VanDerWaalsContact O-N 3.14Å |
| 255 | K | 51.6 | Low | 61.2 | Low | 57 Ų | 57 | 90.3 Ų | 90.3 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -77.9 | -24.7 | 171.9 | -71.9 | -163.5 | -179.6 | -171.6 | 0 | 112.5 | Y252 K257 A258 D400 | Y252-K255 HydrophobicContact CD1-CB 3.95Å; Y252-K255 HydrophobicContact CE1-CB 3.93Å; Y252-K255 CarbonylContact O-C 3.5Å; Y252-K255 WeakPolarHBondContact O-CA 3.46Å; Y252-K255 PolarHBondContact O-N 3.09Å; K255-K257 PolarHBondContact O-N 3.12Å; K255-A258 WeakPolarHBondContact O-CB 3.3Å; K255-A258 PolarHBondContact O-N 3.1Å; K255-A258 VanDerWaalsContact O-N 3.16Å; K255-D400 IonicContact NZ-OD1 2.74Å; K255-D400 PolarHBondContact NZ-OD1 3.42Å; K255-D400 IonicContact NZ-OD2 2.74Å; K255-D400 PolarHBondContact NZ-OD2 2.77Å |
| 256 | E | 52.7 | Low | 60.7 | Low | 101 Ų | 101 | 90 Ų | 90 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.1 | -31.1 | 172.6 | -78.4 | -176.9 | 131.8 | 0 | 0 | 112.8 | R78 Y252 A253 | R78-E256 PolarHBondContact NE-O 3.46Å; R78-E256 PolarHBondContact NH2-O 3.05Å; Y252-E256 PolarHBondContact O-N 3.37Å; A253-E256 WeakPolarHBondContact CA-OE2 3.42Å |
| 257 | K | 52.2 | Low | 60.8 | Low | 170 Ų | 170 | 81.8 Ų | 81.8 | 74% | 0.739 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -29.4 | 176.8 | -67.1 | -177.3 | -179.9 | 178.7 | 0 | 113.6 | K255 | K255-K257 PolarHBondContact O-N 3.12Š|
| 258 | A | 61 | Low | 61.3 | Low | 23 Ų | 23 | 84.8 Ų | 84.8 | 19% | 0.19 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -62.4 | 141.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R78 K255 E262 L263 | R78-A258 PolarHBondContact NH1-O 3.5Å; R78-A258 PolarHBondContact NH2-O 2.83Å; K255-A258 WeakPolarHBondContact O-CB 3.3Å; K255-A258 PolarHBondContact O-N 3.1Å; K255-A258 VanDerWaalsContact O-N 3.16Å; A258-E262 WeakPolarHBondContact CA-OE2 3.3Å; A258-L263 HydrophobicContact CB-CD2 4.14Å; A258-L263 HydrophobicContact CB-CG 4.15Å |
| 259 | S | 65.3 | Low | 62.4 | Low | 43 Ų | 43 | 85.2 Ų | 85.2 | 30% | 0.301 | 43% | 0.428 | S | S | . | . | trans | -64.7 | 150.1 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | R261 E262 L263 | S259-R261 PolarHBondContact O-N 2.89Å; S259-R261 PolarHBondContact OG-N 2.77Å; S259-E262 WeakPolarHBondContact CB-OE1 3.44Å; S259-E262 VanDerWaalsContact N-CD 3.34Å; S259-E262 PolarHBondContact N-OE2 3.34Å; S259-E262 WeakPolarHBondContact O-CB 3.15Å; S259-E262 PolarHBondContact O-N 3.38Å; S259-L263 PolarHBondContact O-N 3.06Å | ||
| 260 | A | 67.9 | Low | 63.5 | Low | 31 Ų | 31 | 85.4 Ų | 85.4 | 26% | 0.256 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -52.2 | -37.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T74 L264 | T74-A260 HydrophobicContact CG2-CB 3.91Å; T74-A260 WeakPolarHBondContact CG2-O 3.42Å; A260-L264 PolarHBondContact O-N 3.32Å |
| 261 | R | 71.1 | Confident | 65.2 | Low | 200 Ų | 200 | 80.6 Ų | 80.6 | 76% | 0.755 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -69.4 | -39.7 | 176.6 | -67.8 | -176.2 | 178.3 | 178.6 | -0.2 | 112 | S259 L264 L265 | S259-R261 PolarHBondContact O-N 2.89Å; S259-R261 PolarHBondContact OG-N 2.77Å; R261-L264 PolarHBondContact O-N 3.45Å; R261-L265 VanDerWaalsContact O-CB 3.28Å; R261-L265 WeakPolarHBondContact O-CB 3.33Å; R261-L265 WeakPolarHBondContact O-CD1 3.19Å; R261-L265 WeakPolarHBondContact O-CG 3.09Å; R261-L265 PolarHBondContact O-N 3.31Å |
| 262 | E | 74 | Confident | 66.7 | Low | 113 Ų | 113 | 75.9 Ų | 75.9 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.6 | -72 | 146.2 | -137.3 | 0 | 0 | 111.9 | A258 S259 L265 A266 | A258-E262 WeakPolarHBondContact CA-OE2 3.3Å; S259-E262 WeakPolarHBondContact CB-OE1 3.44Å; S259-E262 VanDerWaalsContact N-CD 3.34Å; S259-E262 PolarHBondContact N-OE2 3.34Å; S259-E262 WeakPolarHBondContact O-CB 3.15Å; S259-E262 PolarHBondContact O-N 3.38Å; E262-L265 PolarHBondContact O-N 2.87Å; E262-A266 VanDerWaalsContact O-CB 3.24Å; E262-A266 WeakPolarHBondContact O-CB 3.35Å; E262-A266 PolarHBondContact O-N 2.67Å |
| 263 | L | 70.2 | Confident | 68.2 | Low | 28 Ų | 28 | 76.8 Ų | 76.8 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 178.6 | -66.7 | 172.8 | 0 | 0 | 0 | 112.7 | G73 A258 S259 N267 | G73-L263 VanDerWaalsContact O-CD1 3.25Å; G73-L263 WeakPolarHBondContact O-CD1 3.44Å; A258-L263 HydrophobicContact CB-CD2 4.14Å; A258-L263 HydrophobicContact CB-CG 4.15Å; S259-L263 PolarHBondContact O-N 3.06Å; L263-N267 PolarHBondContact O-N 3.47Å; L263-N267 VanDerWaalsContact O-N 3.16Å |
| 264 | L | 74.4 | Confident | 69.8 | Low | 53 Ų | 53 | 78.3 Ų | 78.3 | 28% | 0.277 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.2 | -45.8 | 170.6 | -83.7 | 166.3 | 0 | 0 | 0 | 112.2 | L70 L71 T74 A260 R261 A266 N267 V268 | L70-L264 HydrophobicContact CB-CD2 4.43Å; L70-L264 WeakPolarHBondContact O-CD2 3.43Å; L71-L264 HydrophobicContact CD2-CD1 3.98Å; L71-L264 HydrophobicContact CD2-CD2 4.12Å; T74-L264 HydrophobicContact CG2-CD1 3.68Å; T74-L264 HydrophobicContact CG2-CD2 4.46Å; T74-L264 HydrophobicContact CG2-CG 3.54Å; A260-L264 PolarHBondContact O-N 3.32Å; R261-L264 PolarHBondContact O-N 3.45Å; L264-A266 VanDerWaalsContact C-N 3.28Å; L264-A266 PolarHBondContact O-N 3.01Å; L264-N267 PolarHBondContact O-N 3.43Å; L264-V268 WeakPolarHBondContact O-CG2 3.47Å; L264-V268 PolarHBondContact O-N 3.28Å |
| 265 | L | 77.8 | Confident | 71.1 | Confident | 117 Ų | 117 | 78.3 Ų | 78.3 | 61% | 0.613 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.9 | -35.4 | 177.9 | -72.2 | 168.5 | 0 | 0 | 0 | 111.4 | R261 E262 V268 H269 | R261-L265 VanDerWaalsContact O-CB 3.28Å; R261-L265 WeakPolarHBondContact O-CB 3.33Å; R261-L265 WeakPolarHBondContact O-CD1 3.19Å; R261-L265 WeakPolarHBondContact O-CG 3.09Å; R261-L265 PolarHBondContact O-N 3.31Å; E262-L265 PolarHBondContact O-N 2.87Å; L265-V268 PolarHBondContact O-N 3.37Å; L265-H269 WeakPolarHBondContact O-CB 3.21Å; L265-H269 PolarHBondContact O-N 2.84Å |
| 266 | A | 73.4 | Confident | 72.5 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E262 L264 H269 L270 | E262-A266 VanDerWaalsContact O-CB 3.24Å; E262-A266 WeakPolarHBondContact O-CB 3.35Å; E262-A266 PolarHBondContact O-N 2.67Å; L264-A266 VanDerWaalsContact C-N 3.28Å; L264-A266 PolarHBondContact O-N 3.01Å; A266-H269 PolarHBondContact O-N 2.74Å; A266-L270 WeakPolarHBondContact O-CB 3.47Å; A266-L270 PolarHBondContact O-N 3.47Å |
| 267 | N | 76.3 | Confident | 74 | Confident | 10 Ų | 10 | 77.7 Ų | 77.7 | 5% | 0.053 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 175.5 | -74.5 | -16.3 | 0 | 0 | 0 | 111.8 | L70 L263 L264 L270 I271 S401 | L70-N267 HydrophobicContact CD2-CB 4.47Å; L263-N267 PolarHBondContact O-N 3.47Å; L263-N267 VanDerWaalsContact O-N 3.16Å; L264-N267 PolarHBondContact O-N 3.43Å; N267-L270 PolarHBondContact O-N 2.91Å; N267-I271 WeakPolarHBondContact O-CG1 3.38Å; N267-I271 PolarHBondContact O-N 3.45Å; N267-S401 WeakPolarHBondContact OD1-CB 3.4Å; N267-S401 PolarHBondContact OD1-OG 3.21Å |
| 268 | V | 78.7 | Confident | 75.2 | Confident | 91 Ų | 91 | 72.7 Ų | 72.7 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.8 | -40.8 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | L264 L265 I271 G272 | L264-V268 WeakPolarHBondContact O-CG2 3.47Å; L264-V268 PolarHBondContact O-N 3.28Å; L265-V268 PolarHBondContact O-N 3.37Å; V268-I271 WeakPolarHBondContact O-CB 3.39Å; V268-I271 PolarHBondContact O-N 3.03Å; V268-G272 PolarHBondContact O-N 3.34Å |
| 269 | H | 80.1 | Confident | 76.3 | Confident | 156 Ų | 156 | 72 Ų | 72 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66 | -38.5 | 175.3 | -175.2 | 85.5 | 0 | 0 | 0 | 111.5 | L265 A266 G272 N273 | L265-H269 WeakPolarHBondContact O-CB 3.21Å; L265-H269 PolarHBondContact O-N 2.84Å; A266-H269 PolarHBondContact O-N 2.74Å; H269-G272 WeakPolarHBondContact O-CA 3.29Å; H269-G272 PolarHBondContact O-N 2.87Å; H269-N273 PolarHBondContact O-N 2.89Å |
| 270 | L | 77.8 | Confident | 77.3 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 176.3 | -173.7 | 59.3 | 0 | 0 | 0 | 112.2 | A266 N267 G272 N273 L276 F395 I405 | A266-L270 WeakPolarHBondContact O-CB 3.47Å; A266-L270 PolarHBondContact O-N 3.47Å; N267-L270 PolarHBondContact O-N 2.91Å; L270-G272 PolarHBondContact O-N 3.18Å; L270-N273 HydrophobicContact CD1-CB 4.34Å; L270-N273 WeakPolarHBondContact O-CB 3.34Å; L270-N273 PolarHBondContact O-N 3.33Å; L270-L276 HydrophobicContact CD1-CD2 4.35Å; L270-L276 HydrophobicContact CD2-CD2 4.4Å; L270-L276 HydrophobicContact CG-CD2 3.77Å; L270-F395 HydrophobicContact CD1-CD1 4.17Å; L270-F395 HydrophobicContact CD1-CE1 3.8Å; L270-F395 HydrophobicContact CD1-CZ 4.08Å; L270-I405 HydrophobicContact CB-CD1 3.91Å; L270-I405 HydrophobicContact CD2-CD1 3.78Å; L270-I405 HydrophobicContact CG-CD1 3.78Å |
| 271 | I | 79.7 | Confident | 78.2 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.6 | -35.5 | 167.4 | -71.3 | 167.5 | 0 | 0 | 0 | 111.2 | L70 N267 V268 N273 I280 I405 | L70-I271 HydrophobicContact CD2-CD1 4.44Å; N267-I271 WeakPolarHBondContact O-CG1 3.38Å; N267-I271 PolarHBondContact O-N 3.45Å; V268-I271 WeakPolarHBondContact O-CB 3.39Å; V268-I271 PolarHBondContact O-N 3.03Å; I271-N273 VanDerWaalsContact C-N 3.27Å; I271-N273 PolarHBondContact O-N 3.34Å; I271-I280 HydrophobicContact CG2-CD1 3.96Å; I271-I405 HydrophobicContact CD1-CG1 4.31Å; I271-I405 HydrophobicContact CG1-CD1 3.76Å; I271-I405 HydrophobicContact CG1-CG1 3.88Å; I271-I405 HydrophobicContact CG1-CG2 3.98Å |
| 272 | G | 77.3 | Confident | 79 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 58% | 0.577 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -16.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V268 H269 L270 A274 | V268-G272 PolarHBondContact O-N 3.34Å; H269-G272 WeakPolarHBondContact O-CA 3.29Å; H269-G272 PolarHBondContact O-N 2.87Å; L270-G272 PolarHBondContact O-N 3.18Å; G272-A274 PolarHBondContact O-N 2.92Å |
| 273 | N | 80.7 | Confident | 79.8 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -65.6 | 125.9 | -176.6 | -173.4 | -43.1 | 0 | 0 | 0 | 111.5 | H269 L270 I271 R275 L276 K277 | H269-N273 PolarHBondContact O-N 2.89Å; L270-N273 HydrophobicContact CD1-CB 4.34Å; L270-N273 WeakPolarHBondContact O-CB 3.34Å; L270-N273 PolarHBondContact O-N 3.33Å; I271-N273 VanDerWaalsContact C-N 3.27Å; I271-N273 PolarHBondContact O-N 3.34Å; N273-R275 PolarHBondContact O-N 2.89Å; N273-R275 WeakPolarHBondContact OD1-CB 3.47Å; N273-R275 PolarHBondContact OD1-N 3.39Å; N273-L276 HydrophobicContact CB-CB 4.49Å; N273-L276 PolarHBondContact O-N 3.26Å; N273-K277 WeakPolarHBondContact O-CB 3.35Å; N273-K277 PolarHBondContact O-N 3.44Å |
| 274 | A | 76.3 | Confident | 80.9 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -11.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G272 R278 | G272-A274 PolarHBondContact O-N 2.92Å; A274-R278 PolarHBondContact O-NE 2.93Å; A274-R278 PolarHBondContact O-NH2 3.13Å |
| 275 | R | 75.1 | Confident | 81.7 | Confident | 137 Ų | 137 | 56.3 Ų | 56.3 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -50.2 | 165.8 | -70 | -177.3 | 174.2 | 168.3 | 0.3 | 111.5 | N273 F395 | N273-R275 PolarHBondContact O-N 2.89Å; N273-R275 WeakPolarHBondContact OD1-CB 3.47Å; N273-R275 PolarHBondContact OD1-N 3.39Å; R275-F395 HydrophobicContact CB-CZ 4.05Å |
| 276 | L | 81.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -74 | -35.6 | -176.6 | -167.8 | 56.8 | 0 | 0 | 0 | 112.8 | L270 N273 R278 L279 I280 F283 F395 I405 | L270-L276 HydrophobicContact CD1-CD2 4.35Å; L270-L276 HydrophobicContact CD2-CD2 4.4Å; L270-L276 HydrophobicContact CG-CD2 3.77Å; N273-L276 HydrophobicContact CB-CB 4.49Å; N273-L276 PolarHBondContact O-N 3.26Å; L276-R278 PolarHBondContact O-N 2.88Å; L276-R278 VanDerWaalsContact O-N 3.13Å; L276-L279 HydrophobicContact CD1-CB 4.29Å; L276-L279 HydrophobicContact CD1-CD1 4.11Å; L276-L279 WeakPolarHBondContact O-CA 3.27Å; L276-L279 WeakPolarHBondContact O-CB 3.37Å; L276-L279 PolarHBondContact O-N 2.86Å; L276-I280 PolarHBondContact O-N 3.13Å; L276-I280 VanDerWaalsContact O-N 3.13Å; L276-F283 HydrophobicContact CD1-CE2 3.96Å; L276-F283 HydrophobicContact CD1-CZ 4.39Å; L276-F395 HydrophobicContact CB-CE2 3.92Å; L276-F395 HydrophobicContact CB-CZ 4.07Å; L276-F395 HydrophobicContact CD1-CE2 4.17Å; L276-F395 HydrophobicContact CG-CE2 4.44Å; L276-I405 HydrophobicContact CD2-CB 4.09Å; L276-I405 HydrophobicContact CD2-CD1 3.53Å; L276-I405 HydrophobicContact CD2-CG1 4.4Å; L276-I405 HydrophobicContact CD2-CG2 3.76Å; L276-I405 HydrophobicContact CG-CG2 4.22Å |
| 277 | K | 82.6 | Confident | 83.4 | Confident | 146 Ų | 146 | 48.7 Ų | 48.7 | 64% | 0.635 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -56 | -29.8 | 176 | -173.4 | 173.7 | 179.3 | 178.4 | 0 | 113.4 | N273 | N273-K277 WeakPolarHBondContact O-CB 3.35Å; N273-K277 PolarHBondContact O-N 3.44Å |
| 278 | R | 78.8 | Confident | 84.2 | Confident | 65 Ų | 65 | 49 Ų | 49 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -78.2 | -19.4 | 174.1 | -73.1 | -179.5 | -79.1 | 142.9 | -5.7 | 114.1 | A274 L276 G444 V445 | A274-R278 PolarHBondContact O-NE 2.93Å; A274-R278 PolarHBondContact O-NH2 3.13Å; L276-R278 PolarHBondContact O-N 2.88Å; L276-R278 VanDerWaalsContact O-N 3.13Å; R278-G444 PolarHBondContact NH1-O 3.38Å; R278-V445 HydrophobicContact CB-CG2 3.67Å |
| 279 | L | 83.5 | Confident | 84.9 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -25.3 | 179.1 | -69.3 | 165.6 | 0 | 0 | 0 | 112.8 | L276 L282 F283 M390 V445 | L276-L279 HydrophobicContact CD1-CB 4.29Å; L276-L279 HydrophobicContact CD1-CD1 4.11Å; L276-L279 WeakPolarHBondContact O-CA 3.27Å; L276-L279 WeakPolarHBondContact O-CB 3.37Å; L276-L279 PolarHBondContact O-N 2.86Å; L279-L282 WeakPolarHBondContact O-CB 3.11Å; L279-L282 PolarHBondContact O-N 3.15Å; L279-L282 VanDerWaalsContact O-N 3.11Å; L279-F283 HydrophobicContact CB-CE1 4.04Å; L279-F283 HydrophobicContact CB-CE2 3.91Å; L279-F283 HydrophobicContact CB-CZ 3.5Å; L279-F283 VanDerWaalsContact CB-CZ 3.5Å; L279-F283 HydrophobicContact CD1-CZ 4.34Å; L279-F283 HydrophobicContact CG-CZ 4.36Å; L279-F283 WeakPolarHBondContact O-CD1 3.45Å; L279-F283 WeakPolarHBondContact O-CG 3.32Å; L279-F283 PolarHBondContact O-N 3.18Å; L279-M390 HydrophobicContact CD2-CE 3.78Å; L279-V445 HydrophobicContact CD2-CB 4.44Å; L279-V445 HydrophobicContact CD2-CG1 3.68Å; L279-V445 HydrophobicContact CD2-CG2 3.94Å; L279-V445 HydrophobicContact CG-CG2 4.23Å |
| 280 | I | 87.1 | Confident | 85.5 | Confident | 37 Ų | 37 | 37.5 Ų | 37.5 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.2 | -42.6 | -179 | -70.5 | 170.4 | 0 | 0 | 0 | 113.4 | I271 L276 L282 F283 I284 I405 | I271-I280 HydrophobicContact CG2-CD1 3.96Å; L276-I280 PolarHBondContact O-N 3.13Å; L276-I280 VanDerWaalsContact O-N 3.13Å; I280-L282 VanDerWaalsContact C-N 3.33Å; I280-L282 PolarHBondContact O-N 2.89Å; I280-F283 PolarHBondContact O-N 3.31Å; I280-F283 VanDerWaalsContact O-N 3.13Å; I280-I284 HydrophobicContact CG2-CD1 3.83Å; I280-I284 HydrophobicContact CG2-CG1 4.43Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 2.98Å; I280-I405 HydrophobicContact CD1-CG2 4.41Å; I280-I405 HydrophobicContact CG1-CG2 4.38Å |
| 281 | P | 87 | Confident | 86.3 | Confident | 35 Ų | 35 | 36.5 Ų | 36.5 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -40.9 | 175.2 | -25.9 | 35.6 | 0 | 0 | 0 | 113.4 | F283 I284 C285 | P281-F283 VanDerWaalsContact C-N 3.32Å; P281-F283 PolarHBondContact O-N 2.79Å; P281-I284 PolarHBondContact O-N 3.39Å; P281-C285 WeakPolarHBondContact O-CB 3.44Å; P281-C285 PolarHBondContact O-N 2.87Å |
| 282 | L | 87.1 | Confident | 87 | Confident | 15 Ų | 15 | 34 Ų | 34 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -36.9 | 176 | 175.4 | 65.8 | 0 | 0 | 0 | 111.9 | L279 I280 C285 I286 W383 M390 A440 | L279-L282 WeakPolarHBondContact O-CB 3.11Å; L279-L282 PolarHBondContact O-N 3.15Å; L279-L282 VanDerWaalsContact O-N 3.11Å; I280-L282 VanDerWaalsContact C-N 3.33Å; I280-L282 PolarHBondContact O-N 2.89Å; L282-C285 WeakPolarHBondContact O-CB 3.22Å; L282-C285 PolarHBondContact O-N 2.86Å; L282-I286 HydrophobicContact CD1-CD1 4.43Å; L282-I286 HydrophobicContact CG-CD1 4.23Å; L282-I286 WeakPolarHBondContact O-CD1 3.25Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.36Å; L282-I286 PolarHBondContact O-N 2.79Å; L282-W383 HydrophobicContact CD1-CE3 3.83Å; L282-W383 HydrophobicContact CD1-CZ3 3.91Å; L282-M390 HydrophobicContact CD2-CE 4.16Å; L282-A440 HydrophobicContact CB-CB 4.46Å; L282-A440 HydrophobicContact CD1-CB 3.99Å |
| 283 | F | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.5 | -40.2 | 177.5 | -52.3 | -22.9 | 0 | 0 | 0 | 111.8 | L276 L279 I280 P281 C285 I286 G287 V391 Y406 C410 | L276-F283 HydrophobicContact CD1-CE2 3.96Å; L276-F283 HydrophobicContact CD1-CZ 4.39Å; L279-F283 HydrophobicContact CB-CE1 4.04Å; L279-F283 HydrophobicContact CB-CE2 3.91Å; L279-F283 HydrophobicContact CB-CZ 3.5Å; L279-F283 VanDerWaalsContact CB-CZ 3.5Å; L279-F283 HydrophobicContact CD1-CZ 4.34Å; L279-F283 HydrophobicContact CG-CZ 4.36Å; L279-F283 WeakPolarHBondContact O-CD1 3.45Å; L279-F283 WeakPolarHBondContact O-CG 3.32Å; L279-F283 PolarHBondContact O-N 3.18Å; I280-F283 PolarHBondContact O-N 3.31Å; I280-F283 VanDerWaalsContact O-N 3.13Å; P281-F283 VanDerWaalsContact C-N 3.32Å; P281-F283 PolarHBondContact O-N 2.79Å; F283-C285 VanDerWaalsContact C-N 3.34Å; F283-I286 PolarHBondContact O-N 2.83Å; F283-G287 PolarHBondContact O-N 2.94Å; F283-G287 VanDerWaalsContact O-N 3.12Å; F283-V391 HydrophobicContact CE1-CG2 3.87Å; F283-V391 HydrophobicContact CE2-CG2 4.08Å; F283-V391 HydrophobicContact CZ-CG2 3.3Å; F283-Y406 AromaticContact CD1-CD2 3.52Å; F283-Y406 HydrophobicContact CD1-CD2 3.52Å; F283-Y406 AromaticContact CD1-CE2 3.8Å; F283-Y406 HydrophobicContact CD1-CE2 3.8Å; F283-Y406 HydrophobicContact CD2-CD2 4.2Å; F283-Y406 AromaticContact CE1-CD2 3.61Å; F283-Y406 HydrophobicContact CE1-CD2 3.61Å; F283-Y406 HydrophobicContact CE1-CE2 4.08Å; F283-Y406 HydrophobicContact CE2-CD2 4.26Å; F283-Y406 AromaticContact CG-CD2 3.85Å; F283-Y406 HydrophobicContact CG-CD2 3.85Å; F283-Y406 HydrophobicContact CG-CE2 4.38Å; F283-Y406 AromaticContact CZ-CD2 3.98Å; F283-Y406 HydrophobicContact CZ-CD2 3.98Å; F283-C410 WeakPolarHBondContact O-CA 3.49Å |
| 284 | I | 92.3 | Very high | 88.3 | Confident | 43 Ų | 43 | 28.5 Ų | 28.5 | 22% | 0.221 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 173.5 | -66.4 | 169.5 | 0 | 0 | 0 | 110 | I280 P281 I286 G287 I288 G409 G413 I416 | I280-I284 HydrophobicContact CG2-CD1 3.83Å; I280-I284 HydrophobicContact CG2-CG1 4.43Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 2.98Å; P281-I284 PolarHBondContact O-N 3.39Å; I284-I286 PolarHBondContact O-N 2.76Å; I284-G287 PolarHBondContact O-N 3.28Å; I284-G287 VanDerWaalsContact O-N 3.12Å; I284-I288 HydrophobicContact CG2-CD1 3.86Å; I284-I288 HydrophobicContact CG2-CG1 4.42Å; I284-I288 WeakPolarHBondContact O-CG1 3.35Å; I284-I288 PolarHBondContact O-N 3.04Å; I284-G409 WeakPolarHBondContact CA-O 3.11Å; I284-G413 WeakPolarHBondContact O-CA 3.32Å; I284-I416 HydrophobicContact CG2-CD1 4.2Å |
| 285 | C | 91.4 | Very high | 89 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.7 | -49.1 | 172.4 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | P281 L282 F283 G287 I288 N289 V436 A440 | P281-C285 WeakPolarHBondContact O-CB 3.44Å; P281-C285 PolarHBondContact O-N 2.87Å; L282-C285 WeakPolarHBondContact O-CB 3.22Å; L282-C285 PolarHBondContact O-N 2.86Å; F283-C285 VanDerWaalsContact C-N 3.34Å; C285-G287 PolarHBondContact O-N 3.48Å; C285-I288 PolarHBondContact O-N 3.18Å; C285-N289 WeakPolarHBondContact O-CB 3.11Å; C285-N289 PolarHBondContact O-N 2.96Å; C285-V436 HydrophobicContact CB-CG1 3.65Å; C285-A440 HydrophobicContact CB-CB 4.39Å |
| 286 | I | 93 | Very high | 89.7 | Confident | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.6 | -35.4 | 177.6 | -72.3 | 162.3 | 0 | 0 | 0 | 112 | L282 F283 I284 E290 W383 Y406 | L282-I286 HydrophobicContact CD1-CD1 4.43Å; L282-I286 HydrophobicContact CG-CD1 4.23Å; L282-I286 WeakPolarHBondContact O-CD1 3.25Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.36Å; L282-I286 PolarHBondContact O-N 2.79Å; F283-I286 PolarHBondContact O-N 2.83Å; I284-I286 PolarHBondContact O-N 2.76Å; I286-E290 PolarHBondContact O-N 2.87Å; I286-W383 HydrophobicContact CD1-CB 4.39Å; I286-W383 VanDerWaalsContact CD1-O 3.31Å; I286-W383 WeakPolarHBondContact CD1-O 3.49Å; I286-W383 HydrophobicContact CG1-CB 4.01Å; I286-Y406 HydrophobicContact CD1-CE2 4.49Å |
| 287 | G | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -52.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F283 I284 C285 N289 E290 V291 C410 | F283-G287 PolarHBondContact O-N 2.94Å; F283-G287 VanDerWaalsContact O-N 3.12Å; I284-G287 PolarHBondContact O-N 3.28Å; I284-G287 VanDerWaalsContact O-N 3.12Å; C285-G287 PolarHBondContact O-N 3.48Å; G287-N289 VanDerWaalsContact C-N 3.29Å; G287-N289 PolarHBondContact O-N 3.07Å; G287-E290 PolarHBondContact O-N 3.42Å; G287-V291 PolarHBondContact O-N 3.07Å; G287-C410 VanDerWaalsContact CA-O 3.27Å; G287-C410 WeakPolarHBondContact CA-O 3.22Å |
| 288 | I | 94 | Very high | 90.7 | Very high | 17 Ų | 17 | 12.2 Ų | 12.2 | 9% | 0.087 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 177.9 | -63.7 | 169.7 | 0 | 0 | 0 | 110 | I284 C285 E290 V291 F292 G413 I416 V433 | I284-I288 HydrophobicContact CG2-CD1 3.86Å; I284-I288 HydrophobicContact CG2-CG1 4.42Å; I284-I288 WeakPolarHBondContact O-CG1 3.35Å; I284-I288 PolarHBondContact O-N 3.04Å; C285-I288 PolarHBondContact O-N 3.18Å; I288-E290 PolarHBondContact O-N 3.38Å; I288-V291 PolarHBondContact O-N 3.38Å; I288-V291 VanDerWaalsContact O-N 3.16Å; I288-F292 WeakPolarHBondContact O-CB 3.07Å; I288-F292 PolarHBondContact O-N 3.17Å; I288-G413 WeakPolarHBondContact CG1-O 3.38Å; I288-G413 PolarHBondContact N-O 2.99Å; I288-I416 HydrophobicContact CD1-CG2 4.06Å; I288-I416 HydrophobicContact CG1-CB 4.44Å; I288-I416 HydrophobicContact CG1-CG2 4.33Å; I288-V433 HydrophobicContact CG2-CG2 4.09Å |
| 289 | N | 92.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 9.2 Ų | 9.2 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -69.4 | -16 | -178.3 | -157.8 | 67.3 | 0 | 0 | 0 | 113.9 | C285 G287 Q349 W376 V433 | C285-N289 WeakPolarHBondContact O-CB 3.11Å; C285-N289 PolarHBondContact O-N 2.96Å; G287-N289 VanDerWaalsContact C-N 3.29Å; G287-N289 PolarHBondContact O-N 3.07Å; N289-Q349 PolarHBondContact ND2-NE2 3.34Å; N289-Q349 PolarHBondContact OD1-NE2 2.89Å; N289-W376 PolarHBondContact ND2-NE1 3.23Å; N289-W376 PolarHBondContact O-NE1 3.25Å; N289-W376 WeakPolarHBondContact OD1-CZ2 3.46Å; N289-V433 WeakPolarHBondContact OD1-CG1 3.01Å |
| 290 | E | 93.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 8.8 Ų | 8.8 | 1% | 0.009 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -80.6 | -46 | 167.7 | -164.2 | -179.1 | 126.7 | 0 | 0 | 111.3 | R41 I286 G287 I288 V293 V294 H380 R384 M414 | R41-E290 IonicContact CZ-OE1 3.96Å; R41-E290 VanDerWaalsContact CZ-OE1 3.24Å; R41-E290 IonicContact NH1-OE1 2.77Å; R41-E290 PolarHBondContact NH1-OE1 2.86Å; R41-E290 IonicContact NH2-OE1 3.96Å; R41-E290 PolarHBondContact NH2-OE1 3Å; I286-E290 PolarHBondContact O-N 2.87Å; G287-E290 PolarHBondContact O-N 3.42Å; I288-E290 PolarHBondContact O-N 3.38Å; E290-V293 VanDerWaalsContact O-CG1 3.29Å; E290-V293 WeakPolarHBondContact O-CG1 3.35Å; E290-V294 HydrophobicContact CG-CG2 4.46Å; E290-V294 WeakPolarHBondContact O-CB 3.34Å; E290-V294 VanDerWaalsContact O-CG2 3.27Å; E290-V294 WeakPolarHBondContact O-CG2 3.23Å; E290-V294 PolarHBondContact O-N 3.31Å; E290-V294 VanDerWaalsContact O-N 3.11Å; E290-H380 IonicContact OE2-CE1 3.74Å; E290-H380 IonicContact OE2-NE2 4Å; E290-R384 IonicContact OE2-CZ 3.75Å; E290-R384 IonicContact OE2-NH1 3.92Å; E290-R384 PolarHBondContact OE2-NH1 3.05Å; E290-R384 IonicContact OE2-NH2 2.65Å; E290-R384 PolarHBondContact OE2-NH2 3.33Å; E290-M414 HydrophobicContact CB-CE 4.28Å; E290-M414 HydrophobicContact CG-CE 4.5Å; E290-M414 WeakPolarHBondContact OE2-CE 3.45Å |
| 291 | V | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -68.9 | -39.2 | -177.2 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | G287 I288 V293 V294 A295 M414 F418 | G287-V291 PolarHBondContact O-N 3.07Å; I288-V291 PolarHBondContact O-N 3.38Å; I288-V291 VanDerWaalsContact O-N 3.16Å; V291-V293 VanDerWaalsContact C-N 3.35Å; V291-V293 PolarHBondContact O-N 3.22Å; V291-V294 PolarHBondContact O-N 3.03Å; V291-A295 HydrophobicContact CG1-CB 4.31Å; V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 3.31Å; V291-M414 HydrophobicContact CG2-CB 3.73Å; V291-M414 HydrophobicContact CG2-CG 3.86Å; V291-F418 HydrophobicContact CB-CD2 4.5Å; V291-F418 HydrophobicContact CB-CE2 4.21Å; V291-F418 HydrophobicContact CB-CZ 4.29Å; V291-F418 HydrophobicContact CG1-CD1 3.67Å; V291-F418 HydrophobicContact CG1-CD2 3.89Å; V291-F418 HydrophobicContact CG1-CE1 3.59Å; V291-F418 HydrophobicContact CG1-CE2 3.81Å; V291-F418 HydrophobicContact CG1-CG 3.8Å; V291-F418 HydrophobicContact CG1-CZ 3.67Å; V291-F418 HydrophobicContact CG2-CD2 3.76Å; V291-F418 HydrophobicContact CG2-CE2 3.32Å; V291-F418 HydrophobicContact CG2-CZ 3.78Å |
| 292 | F | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 5.5 Ų | 5.5 | 2% | 0.018 | 3% | 0.029 | C | C | . | . | I | π-helix | trans | -59.5 | -42.7 | 179.3 | -176.6 | -101.5 | 0 | 0 | 0 | 112.3 | I288 D296 V297 L353 M356 W376 K429 I430 V433 | I288-F292 WeakPolarHBondContact O-CB 3.07Å; I288-F292 PolarHBondContact O-N 3.17Å; F292-D296 HydrophobicContact CD2-CB 3.61Å; F292-D296 HydrophobicContact CE2-CB 3.74Å; F292-D296 HydrophobicContact CG-CB 4.39Å; F292-D296 PolarHBondContact O-N 3.37Å; F292-V297 HydrophobicContact CD1-CG2 3.77Å; F292-V297 HydrophobicContact CE1-CG2 3.45Å; F292-V297 VanDerWaalsContact CE1-CG2 3.45Å; F292-V297 HydrophobicContact CZ-CG2 3.97Å; F292-V297 WeakPolarHBondContact O-CG2 3.41Å; F292-V297 PolarHBondContact O-N 2.99Å; F292-L353 HydrophobicContact CE1-CD2 4.43Å; F292-M356 HydrophobicContact CE1-CE 3.93Å; F292-W376 AromaticContact CD1-CH2 3.46Å; F292-W376 HydrophobicContact CD1-CH2 3.46Å; F292-W376 VanDerWaalsContact CD1-CH2 3.46Å; F292-W376 AromaticContact CD1-CZ2 3.78Å; F292-W376 HydrophobicContact CD1-CZ2 3.78Å; F292-W376 HydrophobicContact CD1-CZ3 4.44Å; F292-W376 AromaticContact CE1-CH2 3.84Å; F292-W376 HydrophobicContact CE1-CH2 3.84Å; F292-W376 HydrophobicContact CE1-CZ3 4.49Å; F292-K429 HydrophobicContact CD2-CB 4.1Å; F292-K429 HydrophobicContact CE2-CB 3.59Å; F292-I430 HydrophobicContact CZ-CG1 3.73Å; F292-V433 HydrophobicContact CB-CG2 4.14Å; F292-V433 HydrophobicContact CD1-CG2 4.21Å; F292-V433 HydrophobicContact CD2-CG2 4.12Å; F292-V433 HydrophobicContact CG-CG2 3.87Å |
| 293 | V | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 4.8 Ų | 4.8 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | I | π-helix | trans | -73.3 | -37.1 | 175.3 | 66.1 | 0 | 0 | 0 | 0 | 112.6 | E290 V291 M298 Y318 W376 | E290-V293 VanDerWaalsContact O-CG1 3.29Å; E290-V293 WeakPolarHBondContact O-CG1 3.35Å; V291-V293 VanDerWaalsContact C-N 3.35Å; V291-V293 PolarHBondContact O-N 3.22Å; V293-M298 HydrophobicContact CG2-CE 4.14Å; V293-M298 VanDerWaalsContact O-CE 3.25Å; V293-M298 WeakPolarHBondContact O-CE 3.49Å; V293-M298 WeakPolarHBondContact O-CG 3.45Å; V293-Y318 HydrophobicContact CG1-CE2 4.34Å; V293-W376 HydrophobicContact CB-CD2 4.07Å; V293-W376 HydrophobicContact CB-CG 4.03Å; V293-W376 HydrophobicContact CB-CZ2 4.19Å; V293-W376 HydrophobicContact CG1-CG 4.34Å; V293-W376 VanDerWaalsContact CG1-NE1 3.32Å; V293-W376 HydrophobicContact CG2-CB 4.32Å; V293-W376 HydrophobicContact CG2-CD2 4.23Å; V293-W376 HydrophobicContact CG2-CG 3.89Å |
| 294 | V | 92 | Very high | 91.4 | Very high | 1 Ų | 1 | 4.8 Ų | 4.8 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | I | π-helix | trans | -73.6 | -35.3 | -176 | 164.1 | 0 | 0 | 0 | 0 | 112.6 | T42 E290 V291 M298 | T42-V294 HydrophobicContact CG2-CG1 3.9Å; T42-V294 VanDerWaalsContact CG2-O 3.25Å; T42-V294 WeakPolarHBondContact CG2-O 3.2Å; T42-V294 VanDerWaalsContact OG1-CG1 3.3Å; T42-V294 WeakPolarHBondContact OG1-CG1 3.32Å; E290-V294 HydrophobicContact CG-CG2 4.46Å; E290-V294 WeakPolarHBondContact O-CB 3.34Å; E290-V294 VanDerWaalsContact O-CG2 3.27Å; E290-V294 WeakPolarHBondContact O-CG2 3.23Å; E290-V294 PolarHBondContact O-N 3.31Å; E290-V294 VanDerWaalsContact O-N 3.11Å; V291-V294 PolarHBondContact O-N 3.03Å; V294-M298 VanDerWaalsContact O-CG 3.28Å; V294-M298 WeakPolarHBondContact O-CG 3.34Å |
| 295 | A | 90.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.018 | C | C | . | . | I | π-helix | trans | -111.9 | -66.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | S45 V291 M298 Q299 F418 K421 | S45-A295 WeakPolarHBondContact OG-CB 3.47Å; V291-A295 HydrophobicContact CG1-CB 4.31Å; V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 3.31Å; A295-M298 PolarHBondContact O-N 3.36Å; A295-Q299 WeakPolarHBondContact O-CB 3.3Å; A295-Q299 PolarHBondContact O-N 3.07Å; A295-F418 HydrophobicContact CB-CE1 4.1Å; A295-K421 HydrophobicContact CB-CD 3.99Å |
| 296 | D | 90.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 2.9 Ų | 2.9 | 4% | 0.037 | 2% | 0.016 | C | C | . | . | I | π-helix | trans | -64.2 | -46.6 | -171.1 | -62.1 | -82.7 | 0 | 0 | 0 | 113.3 | F292 Q299 A300 K429 | F292-D296 HydrophobicContact CD2-CB 3.61Å; F292-D296 HydrophobicContact CE2-CB 3.74Å; F292-D296 HydrophobicContact CG-CB 4.39Å; F292-D296 PolarHBondContact O-N 3.37Å; D296-Q299 PolarHBondContact O-N 2.89Å; D296-A300 WeakPolarHBondContact O-CB 3.37Å; D296-A300 PolarHBondContact O-N 3.41Å; D296-K429 HydrophobicContact CB-CD 4.44Å; D296-K429 WeakPolarHBondContact OD1-CD 3.41Å; D296-K429 WeakPolarHBondContact OD1-CE 3.3Å; D296-K429 IonicContact OD1-NZ 3.93Å; D296-K429 PolarHBondContact OD1-NZ 3.43Å |
| 297 | V | 92.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 3.5 Ų | 3.5 | 2% | 0.024 | 2% | 0.02 | C | C | . | . | I | π-helix | trans | -67 | -43.5 | 178.7 | 175.8 | 0 | 0 | 0 | 0 | 111 | F292 Q299 Y301 M356 | F292-V297 HydrophobicContact CD1-CG2 3.77Å; F292-V297 HydrophobicContact CE1-CG2 3.45Å; F292-V297 VanDerWaalsContact CE1-CG2 3.45Å; F292-V297 HydrophobicContact CZ-CG2 3.97Å; F292-V297 WeakPolarHBondContact O-CG2 3.41Å; F292-V297 PolarHBondContact O-N 2.99Å; V297-Q299 VanDerWaalsContact C-N 3.3Å; V297-Q299 PolarHBondContact O-N 2.83Å; V297-Y301 HydrophobicContact CG1-CD2 4.22Å; V297-Y301 WeakPolarHBondContact O-CB 3.15Å; V297-Y301 PolarHBondContact O-N 3.48Å; V297-M356 HydrophobicContact CG1-SD 3.91Å; V297-M356 HydrophobicContact CG2-CE 4.13Å; V297-M356 HydrophobicContact CG2-SD 3.76Å |
| 298 | M | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.023 | C | C | . | . | I | π-helix | trans | -60.9 | -40.3 | 175.8 | -64.3 | -57.2 | 139.8 | 0 | 0 | 111.4 | L46 V293 V294 A295 V302 A303 V311 V314 L315 V373 | L46-M298 HydrophobicContact CD1-CB 3.89Å; L46-M298 HydrophobicContact CD2-CB 3.87Å; L46-M298 HydrophobicContact CG-CB 4.46Å; V293-M298 HydrophobicContact CG2-CE 4.14Å; V293-M298 VanDerWaalsContact O-CE 3.25Å; V293-M298 WeakPolarHBondContact O-CE 3.49Å; V293-M298 WeakPolarHBondContact O-CG 3.45Å; V294-M298 VanDerWaalsContact O-CG 3.28Å; V294-M298 WeakPolarHBondContact O-CG 3.34Å; A295-M298 PolarHBondContact O-N 3.36Å; M298-V302 WeakPolarHBondContact O-CB 3.43Å; M298-V302 PolarHBondContact O-N 2.89Å; M298-V302 HydrophobicContact SD-CG2 4.05Å; M298-A303 WeakPolarHBondContact O-CB 3.37Å; M298-A303 PolarHBondContact O-N 3.38Å; M298-V311 HydrophobicContact CB-CG1 4.07Å; M298-V311 HydrophobicContact CG-CG1 4.11Å; M298-V311 HydrophobicContact SD-CG1 4.07Å; M298-V314 HydrophobicContact CE-CG1 4.03Å; M298-V314 HydrophobicContact SD-CG1 4.05Å; M298-L315 HydrophobicContact CE-CD2 3.62Å; M298-L315 HydrophobicContact CE-CG 4.11Å; M298-L315 HydrophobicContact CG-CD1 4.23Å; M298-L315 HydrophobicContact CG-CD2 4.3Å; M298-L315 HydrophobicContact CG-CG 4.43Å; M298-L315 HydrophobicContact SD-CD1 4.24Å; M298-L315 HydrophobicContact SD-CD2 4.04Å; M298-L315 HydrophobicContact SD-CG 3.92Å; M298-V373 HydrophobicContact CE-CG1 4.16Å; M298-V373 HydrophobicContact CE-CG2 3.61Å |
| 299 | Q | 86.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 3.6 Ų | 3.6 | 1% | 0.009 | 2% | 0.02 | C | C | . | . | I | π-helix | trans | -70.8 | -53.7 | 179.9 | -151 | 178.8 | 20.1 | 0 | 0 | 111.6 | L46 T190 Y201 E203 A295 D296 V297 C304 | L46-Q299 HydrophobicContact CD2-CB 3.49Å; L46-Q299 VanDerWaalsContact CD2-CB 3.49Å; L46-Q299 HydrophobicContact CD2-CG 3.85Å; T190-Q299 HydrophobicContact CG2-CG 4.08Å; Y201-Q299 HydrophobicContact CE1-CB 4.39Å; Y201-Q299 HydrophobicContact CE1-CG 4Å; Y201-Q299 PolarHBondContact OH-NE2 3.16Å; E203-Q299 PolarHBondContact OE1-NE2 3.07Å; E203-Q299 PolarHBondContact OE1-OE1 2.85Å; A295-Q299 WeakPolarHBondContact O-CB 3.3Å; A295-Q299 PolarHBondContact O-N 3.07Å; D296-Q299 PolarHBondContact O-N 2.89Å; V297-Q299 VanDerWaalsContact C-N 3.3Å; V297-Q299 PolarHBondContact O-N 2.83Å; Q299-C304 PolarHBondContact O-N 3.46Å; Q299-C304 PolarHBondContact O-SG 2.89Å |
| 300 | A | 88.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | I | π-helix | trans | -75.3 | -31.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | G198 Y201 D296 T426 | G198-A300 WeakPolarHBondContact CA-O 3.16Å; G198-A300 PolarHBondContact N-O 3.45Å; Y201-A300 HydrophobicContact CD1-CB 3.83Å; Y201-A300 HydrophobicContact CG-CB 3.87Å; D296-A300 WeakPolarHBondContact O-CB 3.37Å; D296-A300 PolarHBondContact O-N 3.41Å; A300-T426 HydrophobicContact CB-CG2 3.98Å |
| 301 | Y | 90.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.008 | 2% | 0.023 | C | C | . | . | I | π-helix | trans | -106.4 | -47 | -176.4 | -64 | -101.4 | 0 | 0 | 0 | 112.9 | G198 R199 V297 M356 W359 P361 F369 T426 | G198-Y301 VanDerWaalsContact CA-CZ 3.48Å; R199-Y301 PolarHBondContact N-OH 3.39Å; R199-Y301 VanDerWaalsContact N-OH 3.15Å; V297-Y301 HydrophobicContact CG1-CD2 4.22Å; V297-Y301 WeakPolarHBondContact O-CB 3.15Å; V297-Y301 PolarHBondContact O-N 3.48Å; Y301-M356 HydrophobicContact CE1-CB 4.3Å; Y301-M356 HydrophobicContact CE1-CG 4.48Å; Y301-M356 PolarHBondContact OH-O 3.39Å; Y301-W359 AromaticContact CD1-CE3 3.97Å; Y301-W359 HydrophobicContact CD1-CE3 3.97Å; Y301-W359 AromaticContact CD1-CZ3 3.81Å; Y301-W359 HydrophobicContact CD1-CZ3 3.81Å; Y301-W359 HydrophobicContact CE1-CE3 4.26Å; Y301-P361 HydrophobicContact CD1-CB 4.16Å; Y301-P361 HydrophobicContact CD1-CG 4Å; Y301-F369 WeakPolarHBondContact O-CE1 3.49Å; Y301-F369 WeakPolarHBondContact O-CZ 3.41Å; Y301-T426 HydrophobicContact CE2-CG2 4.15Å |
| 302 | V | 90.9 | Very high | 89 | Confident | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.006 | 2% | 0.023 | C | C | . | . | I | π-helix | trans | -89 | -57.4 | -171.8 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | M298 C304 V305 S306 T310 V311 V314 F369 | M298-V302 WeakPolarHBondContact O-CB 3.43Å; M298-V302 PolarHBondContact O-N 2.89Å; M298-V302 HydrophobicContact SD-CG2 4.05Å; V302-C304 VanDerWaalsContact C-N 3.26Å; V302-C304 PolarHBondContact O-N 2.95Å; V302-V305 PolarHBondContact O-N 3.08Å; V302-S306 PolarHBondContact O-N 2.93Å; V302-T310 HydrophobicContact CG1-CG2 4.21Å; V302-V311 HydrophobicContact CB-CG2 4.25Å; V302-V311 HydrophobicContact CG1-CG2 3.85Å; V302-V314 HydrophobicContact CG1-CG2 4.32Å; V302-V314 HydrophobicContact CG2-CG1 4.49Å; V302-F369 HydrophobicContact CG2-CB 4.34Å; V302-F369 HydrophobicContact CG2-CD1 3.9Å; V302-F369 HydrophobicContact CG2-CE1 4.41Å; V302-F369 HydrophobicContact CG2-CG 4.13Å |
| 303 | A | 86.9 | Confident | 89 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -66.4 | -25.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W189 T190 M298 V305 V311 | W189-A303 HydrophobicContact CB-CB 4.29Å; W189-A303 HydrophobicContact CE3-CB 4.09Å; W189-A303 PolarHBondContact N-O 3.31Å; W189-A303 VanDerWaalsContact N-O 3.08Å; T190-A303 HydrophobicContact CG2-CB 4.13Å; T190-A303 PolarHBondContact N-O 3.36Å; T190-A303 WeakPolarHBondContact OG1-CB 3.44Å; T190-A303 PolarHBondContact OG1-O 3.09Å; M298-A303 WeakPolarHBondContact O-CB 3.37Å; M298-A303 PolarHBondContact O-N 3.38Å; A303-V305 PolarHBondContact O-N 3.35Å; A303-V311 HydrophobicContact CB-CG2 4.25Å |
| 304 | C | 84.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.3 | 173.3 | -73.5 | 0 | 0 | 0 | 0 | 114 | T190 A192 K197 Y201 Q299 V302 | T190-C304 WeakPolarHBondContact OG1-CA 3.33Å; T190-C304 PolarHBondContact OG1-N 3.39Å; T190-C304 VanDerWaalsContact OG1-N 3.15Å; T190-C304 PolarHBondContact OG1-SG 2.95Å; T190-C304 VanDerWaalsContact OG1-SG 3.4Å; A192-C304 HydrophobicContact CB-CB 4.18Å; K197-C304 HydrophobicContact CB-CB 4.48Å; K197-C304 HydrophobicContact CD-CB 4.11Å; K197-C304 VanDerWaalsContact CE-O 3.29Å; K197-C304 WeakPolarHBondContact CE-O 3.28Å; K197-C304 HydrophobicContact CG-CB 4.12Å; K197-C304 PolarHBondContact NZ-O 3.16Å; Y201-C304 WeakPolarHBondContact CD2-SG 3.25Å; Y201-C304 WeakPolarHBondContact CE2-SG 3.29Å; Q299-C304 PolarHBondContact O-N 3.46Å; Q299-C304 PolarHBondContact O-SG 2.89Å; V302-C304 VanDerWaalsContact C-N 3.26Å; V302-C304 PolarHBondContact O-N 2.95Å |
| 305 | V | 86.5 | Confident | 89.2 | Confident | 11 Ų | 11 | 6.9 Ų | 6.9 | 7% | 0.067 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | -34.7 | -167.8 | 176.3 | 0 | 0 | 0 | 0 | 112.7 | K197 V302 A303 P361 S362 K363 F369 | K197-V305 HydrophobicContact CD-CG2 3.96Å; V302-V305 PolarHBondContact O-N 3.08Å; A303-V305 PolarHBondContact O-N 3.35Å; V305-P361 HydrophobicContact CG2-CB 4.05Å; V305-P361 HydrophobicContact CG2-CG 4.2Å; V305-S362 WeakPolarHBondContact CG1-O 3.14Å; V305-K363 VanDerWaalsContact CG1-CA 3.41Å; V305-K363 HydrophobicContact CG1-CB 3.95Å; V305-K363 HydrophobicContact CG1-CG 4.44Å; V305-F369 HydrophobicContact CB-CZ 4.12Å; V305-F369 HydrophobicContact CG1-CE2 4.41Å; V305-F369 HydrophobicContact CG1-CZ 4.06Å |
| 306 | S | 85.3 | Confident | 89.5 | Confident | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.007 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -123.7 | 162.2 | -174 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | W189 V302 Q366 | W189-S306 PolarHBondContact N-O 3Å; V302-S306 PolarHBondContact O-N 2.93Å; S306-Q366 PolarHBondContact OG-NE2 3.07Å |
| 307 | P | 83.2 | Confident | 89.7 | Confident | 16 Ų | 16 | 10.2 Ų | 10.2 | 10% | 0.104 | 5% | 0.051 | C | C | . | . | trans | -62 | 168.1 | 173.5 | -23.4 | 34.6 | 0 | 0 | 0 | 114.3 | E179 T185 S309 T310 | E179-P307 VanDerWaalsContact CD-CB 3.47Å; E179-P307 HydrophobicContact CG-CB 4.5Å; E179-P307 VanDerWaalsContact OE1-CB 3.24Å; E179-P307 WeakPolarHBondContact OE1-CB 3.47Å; E179-P307 WeakPolarHBondContact OE2-CB 3.46Å; T185-P307 WeakPolarHBondContact O-CG 3.39Å; P307-S309 VanDerWaalsContact C-N 3.32Å; P307-S309 PolarHBondContact O-N 3.04Å; P307-T310 WeakPolarHBondContact O-CB 3.31Å; P307-T310 PolarHBondContact O-N 2.93Å; P307-T310 VanDerWaalsContact O-N 3.13Å | ||
| 308 | Q | 82.9 | Confident | 89.9 | Confident | 16 Ų | 16 | 10.1 Ų | 10.1 | 8% | 0.075 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.4 | -33.9 | -176 | -173.5 | 174.7 | -3.4 | 0 | 0 | 112.6 | Y43 L175 E179 W189 T310 V311 | Y43-Q308 HydrophobicContact CD1-CG 4.21Å; Y43-Q308 HydrophobicContact CE1-CG 4.11Å; L175-Q308 HydrophobicContact CD1-CG 3.79Å; L175-Q308 HydrophobicContact CD2-CB 4.29Å; L175-Q308 HydrophobicContact CD2-CG 3.8Å; L175-Q308 HydrophobicContact CG-CG 4.38Å; E179-Q308 WeakPolarHBondContact OE1-CA 3.38Å; E179-Q308 PolarHBondContact OE1-N 2.97Å; W189-Q308 HydrophobicContact CB-CB 4.27Å; W189-Q308 HydrophobicContact CD2-CB 3.89Å; W189-Q308 HydrophobicContact CD2-CG 3.68Å; W189-Q308 HydrophobicContact CE3-CB 4Å; W189-Q308 HydrophobicContact CE3-CG 3.59Å; W189-Q308 HydrophobicContact CG-CB 4.02Å; W189-Q308 HydrophobicContact CG-CG 4.31Å; W189-Q308 HydrophobicContact CH2-CG 3.98Å; W189-Q308 HydrophobicContact CZ2-CG 4.07Å; W189-Q308 HydrophobicContact CZ3-CG 3.73Å; Q308-T310 VanDerWaalsContact C-N 3.3Å; Q308-T310 PolarHBondContact O-N 3.24Å; Q308-V311 PolarHBondContact O-N 3.29Å |
| 309 | S | 86.8 | Confident | 90.1 | Very high | 4 Ų | 4 | 10.1 Ų | 10.1 | 3% | 0.028 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.2 | -36.6 | 174.1 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | E179 P307 V311 G312 Y313 | E179-S309 PolarHBondContact OE1-N 2.94Å; E179-S309 PolarHBondContact OE1-OG 3.33Å; E179-S309 WeakPolarHBondContact OE2-CB 3.17Å; E179-S309 PolarHBondContact OE2-OG 3.1Å; P307-S309 VanDerWaalsContact C-N 3.32Å; P307-S309 PolarHBondContact O-N 3.04Å; S309-V311 VanDerWaalsContact C-N 3.31Å; S309-V311 PolarHBondContact O-N 3.42Å; S309-G312 WeakPolarHBondContact O-CA 3.2Å; S309-G312 PolarHBondContact O-N 3.3Å; S309-Y313 VanDerWaalsContact O-CD2 3.23Å; S309-Y313 WeakPolarHBondContact O-CD2 3.12Å; S309-Y313 PolarHBondContact O-N 3.12Å; S309-Y313 VanDerWaalsContact O-N 3.1Å |
| 310 | T | 89.8 | Confident | 90.5 | Very high | 14 Ų | 14 | 12.4 Ų | 12.4 | 9% | 0.086 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.2 | -35.8 | -177.8 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | V302 P307 Q308 G312 Y313 V314 | V302-T310 HydrophobicContact CG1-CG2 4.21Å; P307-T310 WeakPolarHBondContact O-CB 3.31Å; P307-T310 PolarHBondContact O-N 2.93Å; P307-T310 VanDerWaalsContact O-N 3.13Å; Q308-T310 VanDerWaalsContact C-N 3.3Å; Q308-T310 PolarHBondContact O-N 3.24Å; T310-G312 VanDerWaalsContact C-N 3.26Å; T310-G312 PolarHBondContact O-N 3.43Å; T310-Y313 PolarHBondContact O-N 3.36Å; T310-V314 HydrophobicContact CG2-CG2 4.37Å; T310-V314 WeakPolarHBondContact O-CG2 3.36Å; T310-V314 PolarHBondContact O-N 3.33Å |
| 311 | V | 89.9 | Confident | 90.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | L46 W189 M298 V302 A303 Q308 S309 V314 L315 | L46-V311 HydrophobicContact CD1-CG1 3.75Å; W189-V311 HydrophobicContact CE3-CG2 4.2Å; W189-V311 HydrophobicContact CZ3-CG2 4.41Å; M298-V311 HydrophobicContact CB-CG1 4.07Å; M298-V311 HydrophobicContact CG-CG1 4.11Å; M298-V311 HydrophobicContact SD-CG1 4.07Å; V302-V311 HydrophobicContact CB-CG2 4.25Å; V302-V311 HydrophobicContact CG1-CG2 3.85Å; A303-V311 HydrophobicContact CB-CG2 4.25Å; Q308-V311 PolarHBondContact O-N 3.29Å; S309-V311 VanDerWaalsContact C-N 3.31Å; S309-V311 PolarHBondContact O-N 3.42Å; V311-V314 PolarHBondContact O-N 3.24Å; V311-L315 HydrophobicContact CG1-CD1 3.78Å; V311-L315 WeakPolarHBondContact O-CB 3.24Å; V311-L315 WeakPolarHBondContact O-CD1 3.08Å; V311-L315 WeakPolarHBondContact O-CG 3.31Å; V311-L315 PolarHBondContact O-N 2.83Å |
| 312 | G | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y43 S309 T310 V314 L315 F316 | Y43-G312 WeakPolarHBondContact OH-CA 3.44Å; S309-G312 WeakPolarHBondContact O-CA 3.2Å; S309-G312 PolarHBondContact O-N 3.3Å; T310-G312 VanDerWaalsContact C-N 3.26Å; T310-G312 PolarHBondContact O-N 3.43Å; G312-V314 PolarHBondContact O-N 3.4Å; G312-L315 PolarHBondContact O-N 2.78Å; G312-F316 WeakPolarHBondContact O-CB 3.33Å; G312-F316 PolarHBondContact O-N 3.4Å |
| 313 | Y | 93.5 | Very high | 91.3 | Very high | 66 Ų | 66 | 14.7 Ų | 14.7 | 26% | 0.259 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 176.3 | -64.6 | -60.1 | 0 | 0 | 0 | 112.8 | L169 A172 S309 T310 F316 C317 | L169-Y313 HydrophobicContact CD1-CE1 4.27Å; A172-Y313 HydrophobicContact CB-CD1 3.78Å; A172-Y313 HydrophobicContact CB-CD2 4.12Å; A172-Y313 HydrophobicContact CB-CE1 3.65Å; A172-Y313 HydrophobicContact CB-CE2 3.99Å; A172-Y313 HydrophobicContact CB-CG 4Å; S309-Y313 VanDerWaalsContact O-CD2 3.23Å; S309-Y313 WeakPolarHBondContact O-CD2 3.12Å; S309-Y313 PolarHBondContact O-N 3.12Å; S309-Y313 VanDerWaalsContact O-N 3.1Å; T310-Y313 PolarHBondContact O-N 3.36Å; Y313-F316 WeakPolarHBondContact O-CB 3.21Å; Y313-F316 PolarHBondContact O-N 3.41Å; Y313-C317 PolarHBondContact O-N 2.75Å |
| 314 | V | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 174.9 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | M298 V302 T310 V311 G312 C317 Y318 F369 Y370 V373 | M298-V314 HydrophobicContact CE-CG1 4.03Å; M298-V314 HydrophobicContact SD-CG1 4.05Å; V302-V314 HydrophobicContact CG1-CG2 4.32Å; V302-V314 HydrophobicContact CG2-CG1 4.49Å; T310-V314 HydrophobicContact CG2-CG2 4.37Å; T310-V314 WeakPolarHBondContact O-CG2 3.36Å; T310-V314 PolarHBondContact O-N 3.33Å; V311-V314 PolarHBondContact O-N 3.24Å; G312-V314 PolarHBondContact O-N 3.4Å; V314-C317 PolarHBondContact O-N 3Å; V314-Y318 PolarHBondContact O-N 3.24Å; V314-F369 HydrophobicContact CG2-CB 4.07Å; V314-Y370 HydrophobicContact CB-CD1 4.47Å; V314-Y370 HydrophobicContact CB-CE1 4.27Å; V314-Y370 HydrophobicContact CG2-CD1 3.94Å; V314-Y370 HydrophobicContact CG2-CE1 3.6Å; V314-Y370 HydrophobicContact CG2-CE2 4.49Å; V314-V373 HydrophobicContact CG1-CB 3.84Å; V314-V373 HydrophobicContact CG1-CG1 3.9Å; V314-V373 HydrophobicContact CG1-CG2 3.63Å |
| 315 | L | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -77.9 | -21.2 | 177 | -69.5 | 165.2 | 0 | 0 | 0 | 114.1 | T42 F168 M298 V311 G312 Y318 S319 | T42-L315 HydrophobicContact CG2-CD1 3.32Å; F168-L315 HydrophobicContact CB-CB 4.32Å; F168-L315 HydrophobicContact CD1-CB 3.54Å; F168-L315 HydrophobicContact CD1-CD1 3.96Å; F168-L315 HydrophobicContact CD1-CG 4.4Å; F168-L315 HydrophobicContact CD2-CB 3.88Å; F168-L315 HydrophobicContact CE1-CB 3.69Å; F168-L315 HydrophobicContact CE1-CD1 3.5Å; F168-L315 VanDerWaalsContact CE1-CD1 3.5Å; F168-L315 HydrophobicContact CE1-CG 4.15Å; F168-L315 HydrophobicContact CE2-CB 4.04Å; F168-L315 HydrophobicContact CG-CB 3.65Å; F168-L315 HydrophobicContact CZ-CB 3.95Å; F168-L315 HydrophobicContact CZ-CD1 4.06Å; F168-L315 HydrophobicContact CZ-CD2 4.49Å; F168-L315 HydrophobicContact CZ-CG 4.41Å; M298-L315 HydrophobicContact CE-CD2 3.62Å; M298-L315 HydrophobicContact CE-CG 4.11Å; M298-L315 HydrophobicContact CG-CD1 4.23Å; M298-L315 HydrophobicContact CG-CD2 4.3Å; M298-L315 HydrophobicContact CG-CG 4.43Å; M298-L315 HydrophobicContact SD-CD1 4.24Å; M298-L315 HydrophobicContact SD-CD2 4.04Å; M298-L315 HydrophobicContact SD-CG 3.92Å; V311-L315 HydrophobicContact CG1-CD1 3.78Å; V311-L315 WeakPolarHBondContact O-CB 3.24Å; V311-L315 WeakPolarHBondContact O-CD1 3.08Å; V311-L315 WeakPolarHBondContact O-CG 3.31Å; V311-L315 PolarHBondContact O-N 2.83Å; G312-L315 PolarHBondContact O-N 2.78Å; L315-Y318 HydrophobicContact CD2-CD1 4.31Å; L315-Y318 WeakPolarHBondContact O-CB 3.5Å; L315-S319 WeakPolarHBondContact O-CB 3.44Å; L315-S319 PolarHBondContact O-N 3.45Å; L315-S319 PolarHBondContact O-OG 2.87Å |
| 316 | F | 95.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 23.1 Ų | 23.1 | 22% | 0.219 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 164 | 170.4 | -113.2 | 0 | 0 | 0 | 110.2 | A165 F168 L169 G312 Y313 Y318 S319 L320 | A165-F316 HydrophobicContact CB-CD2 3.87Å; A165-F316 HydrophobicContact CB-CE2 3.98Å; A165-F316 WeakPolarHBondContact O-CD2 3.27Å; F168-F316 HydrophobicContact CB-CB 4.3Å; L169-F316 HydrophobicContact CB-CD2 3.82Å; L169-F316 HydrophobicContact CB-CE2 4.09Å; L169-F316 HydrophobicContact CB-CG 4.38Å; L169-F316 HydrophobicContact CD2-CE2 3.99Å; L169-F316 HydrophobicContact CD2-CZ 4.23Å; L169-F316 HydrophobicContact CG-CE2 4.44Å; G312-F316 WeakPolarHBondContact O-CB 3.33Å; G312-F316 PolarHBondContact O-N 3.4Å; Y313-F316 WeakPolarHBondContact O-CB 3.21Å; Y313-F316 PolarHBondContact O-N 3.41Å; F316-Y318 PolarHBondContact O-N 3.2Å; F316-S319 WeakPolarHBondContact O-CB 3.46Å; F316-S319 PolarHBondContact O-N 3.22Å; F316-L320 HydrophobicContact CD1-CD1 4.2Å; F316-L320 HydrophobicContact CD2-CG 4.45Å; F316-L320 HydrophobicContact CE1-CD1 3.63Å; F316-L320 HydrophobicContact CE1-CG 4.38Å; F316-L320 HydrophobicContact CE2-CD1 4.16Å; F316-L320 HydrophobicContact CE2-CD2 4.21Å; F316-L320 HydrophobicContact CE2-CG 4.12Å; F316-L320 HydrophobicContact CZ-CD1 3.62Å; F316-L320 HydrophobicContact CZ-CD2 4.3Å; F316-L320 HydrophobicContact CZ-CG 4.09Å; F316-L320 PolarHBondContact O-N 2.75Å |
| 317 | C | 96.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 24.8 Ų | 24.8 | 18% | 0.182 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 175.3 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | Y313 V314 S319 L320 T321 Y370 M374 | Y313-C317 PolarHBondContact O-N 2.75Å; V314-C317 PolarHBondContact O-N 3Å; C317-S319 VanDerWaalsContact C-N 3.26Å; C317-S319 PolarHBondContact O-N 2.98Å; C317-L320 PolarHBondContact O-N 2.84Å; C317-T321 PolarHBondContact O-N 3.5Å; C317-T321 PolarHBondContact O-OG1 3.37Å; C317-Y370 HydrophobicContact CB-CD1 4Å; C317-M374 HydrophobicContact CB-CG 4.19Å |
| 318 | Y | 95.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -50 | -49.3 | 168.9 | -177.8 | -125.8 | 0 | 0 | 0 | 111.5 | W164 V293 V314 L315 F316 T321 N322 V373 | W164-Y318 HydrophobicContact CE3-CE1 4.49Å; W164-Y318 HydrophobicContact CZ3-CE1 4.03Å; V293-Y318 HydrophobicContact CG1-CE2 4.34Å; V314-Y318 PolarHBondContact O-N 3.24Å; L315-Y318 HydrophobicContact CD2-CD1 4.31Å; L315-Y318 WeakPolarHBondContact O-CB 3.5Å; F316-Y318 PolarHBondContact O-N 3.2Å; Y318-T321 PolarHBondContact O-N 2.74Å; Y318-N322 WeakPolarHBondContact CD1-ND2 3.38Å; Y318-N322 WeakPolarHBondContact CE1-ND2 3.49Å; Y318-N322 VanDerWaalsContact CZ-ND2 3.31Å; Y318-N322 WeakPolarHBondContact O-CB 3.47Å; Y318-N322 PolarHBondContact O-N 3.07Å; Y318-N322 PolarHBondContact O-ND2 2.73Å; Y318-V373 VanDerWaalsContact CB-CG1 3.48Å; Y318-V373 HydrophobicContact CD2-CG1 4.05Å; Y318-V373 HydrophobicContact CG-CG1 4.08Å |
| 319 | S | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.4 | -34.4 | -175.4 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | W164 F168 L315 F316 C317 N322 L323 | W164-S319 WeakPolarHBondContact CB-OG 3.46Å; F168-S319 WeakPolarHBondContact CD2-OG 3.4Å; L315-S319 WeakPolarHBondContact O-CB 3.44Å; L315-S319 PolarHBondContact O-N 3.45Å; L315-S319 PolarHBondContact O-OG 2.87Å; F316-S319 WeakPolarHBondContact O-CB 3.46Å; F316-S319 PolarHBondContact O-N 3.22Å; C317-S319 VanDerWaalsContact C-N 3.26Å; C317-S319 PolarHBondContact O-N 2.98Å; S319-N322 PolarHBondContact O-N 3.44Å; S319-L323 WeakPolarHBondContact O-CB 3.38Å; S319-L323 PolarHBondContact O-N 3.06Å |
| 320 | L | 96.4 | Very high | 93.4 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 27% | 0.267 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -65.3 | -45 | 170.5 | -70.8 | -178.3 | 0 | 0 | 0 | 112.1 | A165 F316 C317 N322 L323 F324 | A165-L320 HydrophobicContact CB-CD2 4.23Å; F316-L320 HydrophobicContact CD1-CD1 4.2Å; F316-L320 HydrophobicContact CD2-CG 4.45Å; F316-L320 HydrophobicContact CE1-CD1 3.63Å; F316-L320 HydrophobicContact CE1-CG 4.38Å; F316-L320 HydrophobicContact CE2-CD1 4.16Å; F316-L320 HydrophobicContact CE2-CD2 4.21Å; F316-L320 HydrophobicContact CE2-CG 4.12Å; F316-L320 HydrophobicContact CZ-CD1 3.62Å; F316-L320 HydrophobicContact CZ-CD2 4.3Å; F316-L320 HydrophobicContact CZ-CG 4.09Å; F316-L320 PolarHBondContact O-N 2.75Å; C317-L320 PolarHBondContact O-N 2.84Å; L320-N322 VanDerWaalsContact C-N 3.31Å; L320-N322 PolarHBondContact O-N 3.41Å; L320-L323 HydrophobicContact CD2-CD2 4.33Å; L320-L323 WeakPolarHBondContact O-CB 3.41Å; L320-L323 PolarHBondContact O-N 3.34Å; L320-F324 HydrophobicContact CB-CE2 4.35Å; L320-F324 WeakPolarHBondContact O-CD2 3.46Å; L320-F324 PolarHBondContact O-N 2.82Å |
| 321 | T | 96.2 | Very high | 93.2 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 12% | 0.117 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 175.2 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | C317 Y318 L323 M325 M374 F378 | C317-T321 PolarHBondContact O-N 3.5Å; C317-T321 PolarHBondContact O-OG1 3.37Å; Y318-T321 PolarHBondContact O-N 2.74Å; T321-L323 VanDerWaalsContact C-N 3.31Å; T321-L323 PolarHBondContact O-N 3.16Å; T321-M325 HydrophobicContact CG2-CE 4.44Å; T321-M325 HydrophobicContact CG2-CG 3.84Å; T321-M325 VanDerWaalsContact O-CB 3.24Å; T321-M325 WeakPolarHBondContact O-CB 3.44Å; T321-M325 VanDerWaalsContact O-CG 3.23Å; T321-M325 WeakPolarHBondContact O-CG 3.44Å; T321-M325 PolarHBondContact O-N 3.25Å; T321-M374 WeakPolarHBondContact CG2-O 3.48Å; T321-M374 WeakPolarHBondContact OG1-CB 3.45Å; T321-M374 WeakPolarHBondContact OG1-CG 3.18Å; T321-F378 HydrophobicContact CG2-CB 4.34Å |
| 322 | N | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 173 | -70.6 | -42 | 0 | 0 | 0 | 112.5 | H161 Y318 S319 L320 S326 G377 R381 | H161-N322 HydrophobicContact CB-CB 4.39Å; Y318-N322 WeakPolarHBondContact CD1-ND2 3.38Å; Y318-N322 WeakPolarHBondContact CE1-ND2 3.49Å; Y318-N322 VanDerWaalsContact CZ-ND2 3.31Å; Y318-N322 WeakPolarHBondContact O-CB 3.47Å; Y318-N322 PolarHBondContact O-N 3.07Å; Y318-N322 PolarHBondContact O-ND2 2.73Å; S319-N322 PolarHBondContact O-N 3.44Å; L320-N322 VanDerWaalsContact C-N 3.31Å; L320-N322 PolarHBondContact O-N 3.41Å; N322-S326 WeakPolarHBondContact O-CB 2.91Å; N322-S326 PolarHBondContact O-N 3.42Å; N322-S326 VanDerWaalsContact O-N 3.1Å; N322-G377 PolarHBondContact OD1-O 3.4Å; N322-R381 HydrophobicContact CB-CG 4.29Å; N322-R381 VanDerWaalsContact CG-NH2 3.35Å; N322-R381 WeakPolarHBondContact O-CD 3.29Å; N322-R381 PolarHBondContact OD1-NE 2.83Å; N322-R381 PolarHBondContact OD1-NH2 3.17Å; N322-R381 VanDerWaalsContact OD1-NH2 3.16Å |
| 323 | L | 95 | Very high | 92.5 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -60.7 | 175.2 | 175.4 | 73.1 | 0 | 0 | 0 | 111.2 | L158 H161 C162 S319 L320 T321 M325 S326 A327 | L158-L323 HydrophobicContact CB-CD1 4.25Å; L158-L323 HydrophobicContact CD2-CD1 3.71Å; L158-L323 HydrophobicContact CD2-CG 4.32Å; L158-L323 WeakPolarHBondContact CD2-O 3.45Å; L158-L323 WeakPolarHBondContact O-CD1 3.38Å; H161-L323 HydrophobicContact CB-CB 4.06Å; H161-L323 HydrophobicContact CB-CD1 4.41Å; C162-L323 HydrophobicContact CB-CD1 4.16Å; S319-L323 WeakPolarHBondContact O-CB 3.38Å; S319-L323 PolarHBondContact O-N 3.06Å; L320-L323 HydrophobicContact CD2-CD2 4.33Å; L320-L323 WeakPolarHBondContact O-CB 3.41Å; L320-L323 PolarHBondContact O-N 3.34Å; T321-L323 VanDerWaalsContact C-N 3.31Å; T321-L323 PolarHBondContact O-N 3.16Å; L323-M325 VanDerWaalsContact C-N 3.33Å; L323-M325 PolarHBondContact O-N 2.99Å; L323-S326 WeakPolarHBondContact O-CB 3.34Å; L323-S326 PolarHBondContact O-N 3.38Å; L323-S326 VanDerWaalsContact O-N 3.14Å; L323-A327 PolarHBondContact O-N 2.98Å |
| 324 | F | 95.1 | Very high | 91.7 | Very high | 137 Ų | 137 | 33.6 Ų | 33.6 | 60% | 0.601 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -60.9 | -40.9 | -176.9 | -69.5 | -62.6 | 0 | 0 | 0 | 112.6 | L320 S326 A327 F328 | L320-F324 HydrophobicContact CB-CE2 4.35Å; L320-F324 WeakPolarHBondContact O-CD2 3.46Å; L320-F324 PolarHBondContact O-N 2.82Å; F324-S326 VanDerWaalsContact C-N 3.3Å; F324-S326 PolarHBondContact O-N 3.42Å; F324-A327 PolarHBondContact O-N 2.85Å; F324-F328 PolarHBondContact O-N 3.39Å |
| 325 | M | 93.9 | Very high | 91.2 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.5 | -21.1 | -179.7 | -61.4 | -57.5 | 169.6 | 0 | 0 | 112.8 | T321 L323 F328 I329 F378 R381 | T321-M325 HydrophobicContact CG2-CE 4.44Å; T321-M325 HydrophobicContact CG2-CG 3.84Å; T321-M325 VanDerWaalsContact O-CB 3.24Å; T321-M325 WeakPolarHBondContact O-CB 3.44Å; T321-M325 VanDerWaalsContact O-CG 3.23Å; T321-M325 WeakPolarHBondContact O-CG 3.44Å; T321-M325 PolarHBondContact O-N 3.25Å; L323-M325 VanDerWaalsContact C-N 3.33Å; L323-M325 PolarHBondContact O-N 2.99Å; M325-F328 HydrophobicContact SD-CB 4.33Å; M325-F328 HydrophobicContact SD-CD1 4.31Å; M325-I329 HydrophobicContact CB-CD1 4.09Å; M325-I329 VanDerWaalsContact O-CB 3.24Å; M325-I329 WeakPolarHBondContact O-CB 3.4Å; M325-I329 WeakPolarHBondContact O-CD1 3.36Å; M325-I329 WeakPolarHBondContact O-CG1 3.39Å; M325-I329 PolarHBondContact O-N 2.96Å; M325-F378 HydrophobicContact CE-CD2 3.91Å; M325-F378 HydrophobicContact CE-CE2 4.46Å; M325-F378 HydrophobicContact CG-CD2 3.91Å; M325-F378 HydrophobicContact SD-CD2 3.67Å; M325-F378 HydrophobicContact SD-CE2 4.08Å; M325-R381 HydrophobicContact CB-CB 4.09Å; M325-R381 HydrophobicContact CB-CG 4.02Å |
| 326 | S | 91.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -52.4 | 166.8 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | H157 N322 L323 F324 F328 H330 | H157-S326 WeakPolarHBondContact CB-OG 3.37Å; N322-S326 WeakPolarHBondContact O-CB 2.91Å; N322-S326 PolarHBondContact O-N 3.42Å; N322-S326 VanDerWaalsContact O-N 3.1Å; L323-S326 WeakPolarHBondContact O-CB 3.34Å; L323-S326 PolarHBondContact O-N 3.38Å; L323-S326 VanDerWaalsContact O-N 3.14Å; F324-S326 VanDerWaalsContact C-N 3.3Å; F324-S326 PolarHBondContact O-N 3.42Å; S326-F328 PolarHBondContact O-N 2.87Å; S326-H330 WeakPolarHBondContact O-CB 3.37Å; S326-H330 PolarHBondContact O-N 3.01Å; S326-H330 VanDerWaalsContact O-N 3.14Å; S326-H330 PolarHBondContact O-ND1 3.49Å; S326-H330 PolarHBondContact OG-CE1 2.94Å; S326-H330 PolarHBondContact OG-ND1 3.27Å |
| 327 | A | 91 | Very high | 89.9 | Confident | 36 Ų | 36 | 45 Ų | 45 | 30% | 0.298 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L158 L323 F324 T331 | L158-A327 HydrophobicContact CD1-CB 4.15Å; L158-A327 HydrophobicContact CD2-CB 3.85Å; L323-A327 PolarHBondContact O-N 2.98Å; F324-A327 PolarHBondContact O-N 2.85Å; A327-T331 WeakPolarHBondContact O-CB 3.48Å; A327-T331 PolarHBondContact O-N 3.15Å; A327-T331 PolarHBondContact O-OG1 2.97Å |
| 328 | F | 92.2 | Very high | 89.1 | Confident | 115 Ų | 115 | 44.7 Ų | 44.7 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -53.3 | -177.9 | -178.3 | -103.9 | 0 | 0 | 0 | 112 | F324 M325 S326 T331 A332 | F324-F328 PolarHBondContact O-N 3.39Å; M325-F328 HydrophobicContact SD-CB 4.33Å; M325-F328 HydrophobicContact SD-CD1 4.31Å; S326-F328 PolarHBondContact O-N 2.87Å; F328-T331 PolarHBondContact O-N 3.25Å; F328-A332 HydrophobicContact CE1-CB 4.3Å; F328-A332 HydrophobicContact CE2-CB 4.47Å; F328-A332 HydrophobicContact CZ-CB 4.22Å; F328-A332 VanDerWaalsContact O-CB 3.27Å; F328-A332 WeakPolarHBondContact O-CB 3.43Å; F328-A332 PolarHBondContact O-N 3.29Å |
| 329 | I | 90.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | -173.9 | -63.6 | 164.9 | 0 | 0 | 0 | 111 | M325 T331 A332 A333 R381 I382 T385 F386 | M325-I329 HydrophobicContact CB-CD1 4.09Å; M325-I329 VanDerWaalsContact O-CB 3.24Å; M325-I329 WeakPolarHBondContact O-CB 3.4Å; M325-I329 WeakPolarHBondContact O-CD1 3.36Å; M325-I329 WeakPolarHBondContact O-CG1 3.39Å; M325-I329 PolarHBondContact O-N 2.96Å; I329-T331 PolarHBondContact O-N 3.22Å; I329-A332 PolarHBondContact O-N 3.43Å; I329-A333 WeakPolarHBondContact O-CB 3.23Å; I329-A333 PolarHBondContact O-N 3.02Å; I329-R381 HydrophobicContact CD1-CB 3.75Å; I329-I382 HydrophobicContact CD1-CB 4.45Å; I329-I382 HydrophobicContact CD1-CG1 3.6Å; I329-I382 HydrophobicContact CG1-CG1 4.47Å; I329-T385 HydrophobicContact CG2-CG2 3.98Å; I329-F386 HydrophobicContact CG2-CE2 3.88Å |
| 330 | H | 86.1 | Confident | 87.9 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.023 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -26.2 | 177.7 | -71.9 | 88.2 | 0 | 0 | 0 | 112.9 | H150 C154 H157 S326 F334 | H150-H330 PolarHBondContact O-CD2 3.35Å; C154-H330 HydrophobicContact CB-CB 3.62Å; H157-H330 AromaticContact ND1-CE1 3.96Å; H157-H330 AromaticContact ND1-NE2 3.98Å; S326-H330 WeakPolarHBondContact O-CB 3.37Å; S326-H330 PolarHBondContact O-N 3.01Å; S326-H330 VanDerWaalsContact O-N 3.14Å; S326-H330 PolarHBondContact O-ND1 3.49Å; S326-H330 PolarHBondContact OG-CE1 2.94Å; S326-H330 PolarHBondContact OG-ND1 3.27Å; H330-F334 WeakPolarHBondContact O-CD2 3.36Å; H330-F334 WeakPolarHBondContact O-CE2 3.27Å |
| 331 | T | 84.5 | Confident | 87.4 | Confident | 72 Ų | 72 | 48 Ų | 48 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -86.9 | -44.4 | 177.3 | -51.4 | 0 | 0 | 0 | 0 | 112 | A327 F328 I329 A333 H335 | A327-T331 WeakPolarHBondContact O-CB 3.48Å; A327-T331 PolarHBondContact O-N 3.15Å; A327-T331 PolarHBondContact O-OG1 2.97Å; F328-T331 PolarHBondContact O-N 3.25Å; I329-T331 PolarHBondContact O-N 3.22Å; T331-A333 VanDerWaalsContact C-N 3.34Å; T331-A333 PolarHBondContact O-N 3.43Å; T331-H335 PolarHBondContact O-ND1 3.48Å |
| 332 | A | 86.5 | Confident | 86.9 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 12% | 0.116 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.8 | -22.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | F328 I329 F334 H335 V336 F341 | F328-A332 HydrophobicContact CE1-CB 4.3Å; F328-A332 HydrophobicContact CE2-CB 4.47Å; F328-A332 HydrophobicContact CZ-CB 4.22Å; F328-A332 VanDerWaalsContact O-CB 3.27Å; F328-A332 WeakPolarHBondContact O-CB 3.43Å; F328-A332 PolarHBondContact O-N 3.29Å; I329-A332 PolarHBondContact O-N 3.43Å; A332-F334 PolarHBondContact O-N 3.02Å; A332-F334 VanDerWaalsContact O-N 3.12Å; A332-H335 PolarHBondContact O-N 3.42Å; A332-V336 PolarHBondContact O-N 3.49Å; A332-F341 HydrophobicContact CB-CZ 3.74Å |
| 333 | A | 79.4 | Confident | 86.5 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I329 T331 F386 R389 | I329-A333 WeakPolarHBondContact O-CB 3.23Å; I329-A333 PolarHBondContact O-N 3.02Å; T331-A333 VanDerWaalsContact C-N 3.34Å; T331-A333 PolarHBondContact O-N 3.43Å; A333-F386 HydrophobicContact CB-CZ 3.99Å; A333-R389 PolarHBondContact O-NH1 3.1Å |
| 334 | F | 77.9 | Confident | 86.4 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -19.5 | 170.1 | -61.1 | -64.5 | 0 | 0 | 0 | 113.6 | H147 H150 H330 A332 | H147-F334 AromaticContact CD2-CE1 3.64Å; H147-F334 AromaticContact CD2-CE2 3.88Å; H147-F334 AromaticContact CD2-CZ 3.5Å; H150-F334 HydrophobicContact CB-CZ 3.81Å; H330-F334 WeakPolarHBondContact O-CD2 3.36Å; H330-F334 WeakPolarHBondContact O-CE2 3.27Å; A332-F334 PolarHBondContact O-N 3.02Å; A332-F334 VanDerWaalsContact O-N 3.12Å |
| 335 | H | 83.5 | Confident | 86.2 | Confident | 160 Ų | 160 | 48.9 Ų | 48.9 | 74% | 0.741 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -30.7 | -172.5 | -61.7 | 90.6 | 0 | 0 | 0 | 113.1 | T331 A332 | T331-H335 PolarHBondContact O-ND1 3.48Å; A332-H335 PolarHBondContact O-N 3.42Å |
| 336 | V | 83.9 | Confident | 86 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 38% | 0.382 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -113.2 | 144 | -175.8 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | A332 T340 F341 | A332-V336 PolarHBondContact O-N 3.49Å; V336-T340 HydrophobicContact CG1-CG2 3.9Å; V336-F341 HydrophobicContact CB-CD2 4.4Å; V336-F341 HydrophobicContact CB-CE2 3.59Å; V336-F341 HydrophobicContact CB-CZ 3.99Å; V336-F341 HydrophobicContact CG1-CD2 4.05Å; V336-F341 HydrophobicContact CG1-CE2 3.67Å; V336-F341 HydrophobicContact CG1-CZ 4.11Å |
| 337 | S | 81.5 | Confident | 86 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 47% | 0.469 | 28% | 0.277 | S | S | . | . | trans | -62.8 | 142 | -177.3 | 100.4 | 0 | 0 | 0 | 0 | 112.2 | M339 T340 F341 | S337-M339 PolarHBondContact O-N 3.32Å; S337-M339 PolarHBondContact OG-N 3.04Å; S337-T340 WeakPolarHBondContact O-CB 3.24Å; S337-T340 PolarHBondContact O-N 3.33Å; S337-T340 VanDerWaalsContact O-N 3.16Å; S337-T340 PolarHBondContact OG-N 3.12Å; S337-T340 PolarHBondContact OG-OG1 3.12Å; S337-F341 PolarHBondContact O-N 3.03Å | ||
| 338 | R | 78.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50.4 | -44.6 | 174 | 167.8 | 174.4 | 60.9 | -140.4 | -5 | 112.3 | T340 F341 L342 F386 E393 L449 | R338-T340 VanDerWaalsContact C-N 3.28Å; R338-T340 PolarHBondContact O-N 3.28Å; R338-F341 PolarHBondContact O-N 2.96Å; R338-L342 HydrophobicContact CG-CD1 3.76Å; R338-L342 HydrophobicContact CG-CG 4.22Å; R338-L342 WeakPolarHBondContact O-CG 3.24Å; R338-L342 PolarHBondContact O-N 3.45Å; R338-L342 VanDerWaalsContact O-N 3.07Å; R338-F386 HydrophobicContact CB-CD1 4.22Å; R338-F386 HydrophobicContact CB-CE1 3.9Å; R338-F386 HydrophobicContact CG-CD1 3.69Å; R338-F386 HydrophobicContact CG-CE1 3.89Å; R338-E393 IonicContact CZ-OE2 3.69Å; R338-E393 IonicContact NH1-OE2 2.76Å; R338-E393 PolarHBondContact NH1-OE2 3.11Å; R338-L449 VanDerWaalsContact CZ-CD2 3.4Å; R338-L449 VanDerWaalsContact NH2-CD2 3.29Å |
| 339 | M | 80.1 | Confident | 86.2 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 17% | 0.167 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.6 | -31.8 | -173.1 | -47.2 | -41.8 | -137.4 | 0 | 0 | 111.1 | S337 L342 W343 L446 F450 | S337-M339 PolarHBondContact O-N 3.32Å; S337-M339 PolarHBondContact OG-N 3.04Å; M339-L342 PolarHBondContact O-N 3.42Å; M339-L342 HydrophobicContact SD-CD1 4.27Å; M339-W343 PolarHBondContact O-N 3.13Å; M339-L446 HydrophobicContact CE-CD2 4.01Å; M339-L446 VanDerWaalsContact CE-O 3.28Å; M339-L446 WeakPolarHBondContact CE-O 3.25Å; M339-L446 HydrophobicContact SD-CD2 3.8Å; M339-F450 HydrophobicContact CE-CB 4.29Å |
| 340 | T | 85.7 | Confident | 86.3 | Confident | 69 Ų | 69 | 50 Ų | 50 | 42% | 0.423 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 172.7 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | V336 S337 R338 V344 | V336-T340 HydrophobicContact CG1-CG2 3.9Å; S337-T340 WeakPolarHBondContact O-CB 3.24Å; S337-T340 PolarHBondContact O-N 3.33Å; S337-T340 VanDerWaalsContact O-N 3.16Å; S337-T340 PolarHBondContact OG-N 3.12Å; S337-T340 PolarHBondContact OG-OG1 3.12Å; R338-T340 VanDerWaalsContact C-N 3.28Å; R338-T340 PolarHBondContact O-N 3.28Å; T340-V344 VanDerWaalsContact O-CG2 3.31Å; T340-V344 WeakPolarHBondContact O-CG2 3.41Å; T340-V344 PolarHBondContact O-N 3.21Å |
| 341 | F | 87.5 | Confident | 86.6 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.7 | -75.3 | -72.3 | 0 | 0 | 0 | 112.7 | A332 V336 S337 R338 W343 V344 G345 I382 F386 | A332-F341 HydrophobicContact CB-CZ 3.74Å; V336-F341 HydrophobicContact CB-CD2 4.4Å; V336-F341 HydrophobicContact CB-CE2 3.59Å; V336-F341 HydrophobicContact CB-CZ 3.99Å; V336-F341 HydrophobicContact CG1-CD2 4.05Å; V336-F341 HydrophobicContact CG1-CE2 3.67Å; V336-F341 HydrophobicContact CG1-CZ 4.11Å; S337-F341 PolarHBondContact O-N 3.03Å; R338-F341 PolarHBondContact O-N 2.96Å; F341-W343 PolarHBondContact O-N 3.29Å; F341-V344 PolarHBondContact O-N 2.98Å; F341-G345 PolarHBondContact O-N 3.45Å; F341-I382 HydrophobicContact CB-CG2 4.2Å; F341-I382 WeakPolarHBondContact O-CG2 3.38Å; F341-F386 HydrophobicContact CB-CD2 3.97Å; F341-F386 HydrophobicContact CB-CE2 3.35Å; F341-F386 HydrophobicContact CB-CZ 3.82Å; F341-F386 HydrophobicContact CD1-CE2 4.21Å; F341-F386 HydrophobicContact CD2-CE1 4.47Å; F341-F386 AromaticContact CD2-CE2 3.63Å; F341-F386 HydrophobicContact CD2-CE2 3.63Å; F341-F386 AromaticContact CD2-CZ 3.37Å; F341-F386 HydrophobicContact CD2-CZ 3.37Å; F341-F386 HydrophobicContact CE2-CE2 4.42Å; F341-F386 HydrophobicContact CE2-CZ 4.07Å; F341-F386 AromaticContact CG-CE2 3.49Å; F341-F386 HydrophobicContact CG-CE2 3.49Å; F341-F386 VanDerWaalsContact CG-CE2 3.49Å; F341-F386 AromaticContact CG-CZ 3.76Å; F341-F386 HydrophobicContact CG-CZ 3.76Å |
| 342 | L | 85.3 | Confident | 87.1 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 179.4 | -67.2 | 174.7 | 0 | 0 | 0 | 111.9 | R338 M339 G345 F346 W383 F386 M390 L446 | R338-L342 HydrophobicContact CG-CD1 3.76Å; R338-L342 HydrophobicContact CG-CG 4.22Å; R338-L342 WeakPolarHBondContact O-CG 3.24Å; R338-L342 PolarHBondContact O-N 3.45Å; R338-L342 VanDerWaalsContact O-N 3.07Å; M339-L342 PolarHBondContact O-N 3.42Å; M339-L342 HydrophobicContact SD-CD1 4.27Å; L342-G345 PolarHBondContact O-N 3.36Å; L342-F346 WeakPolarHBondContact O-CB 3.36Å; L342-F346 PolarHBondContact O-N 3.11Å; L342-W383 HydrophobicContact CD2-CE3 4.08Å; L342-W383 HydrophobicContact CD2-CZ3 3.82Å; L342-F386 HydrophobicContact CD2-CB 3.92Å; L342-F386 HydrophobicContact CD2-CG 4.41Å; L342-M390 HydrophobicContact CD1-SD 4.22Å; L342-L446 HydrophobicContact CB-CD2 4.31Å; L342-L446 HydrophobicContact CD1-CD1 4.5Å; L342-L446 HydrophobicContact CD1-CD2 3.8Å; L342-L446 HydrophobicContact CD1-CG 4.13Å |
| 343 | W | 87.4 | Confident | 87.4 | Confident | 146 Ų | 146 | 48.2 Ų | 48.2 | 55% | 0.553 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 173.1 | -78.7 | 117.1 | 0 | 0 | 0 | 112.9 | M339 F341 F346 I347 | M339-W343 PolarHBondContact O-N 3.13Å; F341-W343 PolarHBondContact O-N 3.29Å; W343-F346 HydrophobicContact CE3-CD1 4.45Å; W343-F346 HydrophobicContact CZ3-CD1 4.38Å; W343-F346 PolarHBondContact O-N 2.85Å; W343-I347 WeakPolarHBondContact O-CB 3.47Å; W343-I347 VanDerWaalsContact O-CG1 3.27Å; W343-I347 WeakPolarHBondContact O-CG1 3.46Å; W343-I347 PolarHBondContact O-N 3.28Å |
| 344 | V | 91.4 | Very high | 88.1 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 33% | 0.333 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 175 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | T340 F341 T348 F378 I382 | T340-V344 VanDerWaalsContact O-CG2 3.31Å; T340-V344 WeakPolarHBondContact O-CG2 3.41Å; T340-V344 PolarHBondContact O-N 3.21Å; F341-V344 PolarHBondContact O-N 2.98Å; V344-T348 WeakPolarHBondContact O-CB 3.41Å; V344-T348 WeakPolarHBondContact O-CG2 3.46Å; V344-T348 PolarHBondContact O-N 2.79Å; V344-T348 PolarHBondContact O-OG1 3.25Å; V344-F378 HydrophobicContact CG1-CE1 3.6Å; V344-F378 HydrophobicContact CG1-CZ 3.71Å; V344-I382 HydrophobicContact CG1-CD1 4.06Å |
| 345 | G | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.6 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F341 L342 T348 Q349 W383 | F341-G345 PolarHBondContact O-N 3.45Å; L342-G345 PolarHBondContact O-N 3.36Å; G345-T348 PolarHBondContact O-OG1 3.07Å; G345-Q349 WeakPolarHBondContact O-CB 3.34Å; G345-Q349 PolarHBondContact O-N 2.97Å; G345-W383 PolarHBondContact O-NE1 3.38Å |
| 346 | F | 90.4 | Very high | 89.2 | Confident | 40 Ų | 40 | 43.9 Ų | 43.9 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.9 | -51.4 | 173.7 | -178.4 | -91.7 | 0 | 0 | 0 | 112.2 | L342 W343 T348 Q349 A350 W383 L437 I438 S441 | L342-F346 WeakPolarHBondContact O-CB 3.36Å; L342-F346 PolarHBondContact O-N 3.11Å; W343-F346 HydrophobicContact CE3-CD1 4.45Å; W343-F346 HydrophobicContact CZ3-CD1 4.38Å; W343-F346 PolarHBondContact O-N 2.85Å; F346-T348 PolarHBondContact O-N 2.62Å; F346-Q349 PolarHBondContact O-N 2.75Å; F346-A350 WeakPolarHBondContact O-CB 3.36Å; F346-A350 PolarHBondContact O-N 3.13Å; F346-W383 HydrophobicContact CB-CH2 4.38Å; F346-W383 HydrophobicContact CB-CZ2 4Å; F346-L437 HydrophobicContact CD2-CD2 3.95Å; F346-L437 HydrophobicContact CD2-CG 3.89Å; F346-L437 HydrophobicContact CE2-CD2 3.99Å; F346-L437 HydrophobicContact CE2-CG 3.96Å; F346-I438 HydrophobicContact CE2-CG1 4.41Å; F346-I438 HydrophobicContact CZ-CG1 4.32Å; F346-S441 WeakPolarHBondContact CE2-OG 3.33Å |
| 347 | I | 92.2 | Very high | 89.5 | Confident | 110 Ų | 110 | 45 Ų | 45 | 56% | 0.564 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.2 | -43.5 | -177.6 | -67.5 | 164.6 | 0 | 0 | 0 | 110.9 | W343 G351 | W343-I347 WeakPolarHBondContact O-CB 3.47Å; W343-I347 VanDerWaalsContact O-CG1 3.27Å; W343-I347 WeakPolarHBondContact O-CG1 3.46Å; W343-I347 PolarHBondContact O-N 3.28Å; I347-G351 PolarHBondContact O-N 3.44Å |
| 348 | T | 93.7 | Very high | 90 | Very high | 36 Ų | 36 | 46.9 Ų | 46.9 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 176.2 | 50.3 | 0 | 0 | 0 | 0 | 112.4 | V344 G345 F346 G351 I352 F378 | V344-T348 WeakPolarHBondContact O-CB 3.41Å; V344-T348 WeakPolarHBondContact O-CG2 3.46Å; V344-T348 PolarHBondContact O-N 2.79Å; V344-T348 PolarHBondContact O-OG1 3.25Å; G345-T348 PolarHBondContact O-OG1 3.07Å; F346-T348 PolarHBondContact O-N 2.62Å; T348-G351 PolarHBondContact O-N 2.93Å; T348-I352 VanDerWaalsContact O-CG2 3.32Å; T348-I352 WeakPolarHBondContact O-CG2 3.39Å; T348-I352 PolarHBondContact O-N 3.37Å; T348-I352 VanDerWaalsContact O-N 3.11Å; T348-F378 HydrophobicContact CG2-CD1 4.13Å; T348-F378 HydrophobicContact CG2-CE1 3.94Å |
| 349 | Q | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.1 | -35.2 | 178.2 | -169.5 | 60.6 | 29.3 | 0 | 0 | 113.1 | N289 G345 F346 I352 L353 S379 L437 | N289-Q349 PolarHBondContact ND2-NE2 3.34Å; N289-Q349 PolarHBondContact OD1-NE2 2.89Å; G345-Q349 WeakPolarHBondContact O-CB 3.34Å; G345-Q349 PolarHBondContact O-N 2.97Å; F346-Q349 PolarHBondContact O-N 2.75Å; Q349-I352 WeakPolarHBondContact O-CG2 3.23Å; Q349-L353 HydrophobicContact CG-CD1 4.48Å; Q349-L353 WeakPolarHBondContact O-CD1 3.13Å; Q349-L353 VanDerWaalsContact O-CG 3.27Å; Q349-L353 WeakPolarHBondContact O-CG 3.3Å; Q349-L353 PolarHBondContact O-N 3.43Å; Q349-S379 PolarHBondContact OE1-OG 2.91Å; Q349-L437 HydrophobicContact CB-CD1 4.19Å; Q349-L437 HydrophobicContact CB-CD2 3.94Å; Q349-L437 HydrophobicContact CG-CD1 3.74Å; Q349-L437 HydrophobicContact CG-CD2 3.8Å; Q349-L437 HydrophobicContact CG-CG 4.41Å |
| 350 | A | 92.4 | Very high | 91 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.5 | -43.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F346 I352 L353 L354 L437 | F346-A350 WeakPolarHBondContact O-CB 3.36Å; F346-A350 PolarHBondContact O-N 3.13Å; A350-I352 PolarHBondContact O-N 2.83Å; A350-L353 PolarHBondContact O-N 3.36Å; A350-L354 PolarHBondContact O-N 3.47Å; A350-L437 HydrophobicContact CB-CD2 4.49Å |
| 351 | G | 93.8 | Very high | 91.2 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I347 T348 L354 V355 | I347-G351 PolarHBondContact O-N 3.44Å; T348-G351 PolarHBondContact O-N 2.93Å; G351-L354 PolarHBondContact O-N 3.45Å; G351-V355 WeakPolarHBondContact O-CG2 3.14Å; G351-V355 PolarHBondContact O-N 3.02Å |
| 352 | I | 94.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.9 | -35.4 | 178 | -172.5 | 158.4 | 0 | 0 | 0 | 113.4 | T348 Q349 A350 L354 V355 M356 I372 T375 W376 | T348-I352 VanDerWaalsContact O-CG2 3.32Å; T348-I352 WeakPolarHBondContact O-CG2 3.39Å; T348-I352 PolarHBondContact O-N 3.37Å; T348-I352 VanDerWaalsContact O-N 3.11Å; Q349-I352 WeakPolarHBondContact O-CG2 3.23Å; A350-I352 PolarHBondContact O-N 2.83Å; I352-L354 VanDerWaalsContact C-N 3.34Å; I352-V355 PolarHBondContact O-N 3.26Å; I352-M356 HydrophobicContact CG1-CE 4.43Å; I352-M356 WeakPolarHBondContact O-CG 3.36Å; I352-M356 PolarHBondContact O-N 3.35Å; I352-I372 HydrophobicContact CD1-CB 4.13Å; I352-I372 HydrophobicContact CD1-CG2 3.64Å; I352-I372 WeakPolarHBondContact CD1-O 3.27Å; I352-I372 HydrophobicContact CG1-CG2 4Å; I352-T375 HydrophobicContact CD1-CG2 4.35Å; I352-W376 HydrophobicContact CB-CE3 4.46Å; I352-W376 HydrophobicContact CD1-CB 3.95Å; I352-W376 HydrophobicContact CD1-CE3 3.8Å; I352-W376 HydrophobicContact CG1-CE3 3.96Å; I352-W376 HydrophobicContact CG1-CZ3 4.46Å; I352-W376 HydrophobicContact CG2-CE3 3.63Å; I352-W376 HydrophobicContact CG2-CZ3 3.9Å |
| 353 | L | 93 | Very high | 91 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 172.4 | -72.3 | 166.6 | 0 | 0 | 0 | 111 | F292 Q349 A350 M356 W357 W376 I430 V433 L437 | F292-L353 HydrophobicContact CE1-CD2 4.43Å; Q349-L353 HydrophobicContact CG-CD1 4.48Å; Q349-L353 WeakPolarHBondContact O-CD1 3.13Å; Q349-L353 VanDerWaalsContact O-CG 3.27Å; Q349-L353 WeakPolarHBondContact O-CG 3.3Å; Q349-L353 PolarHBondContact O-N 3.43Å; A350-L353 PolarHBondContact O-N 3.36Å; L353-M356 HydrophobicContact CD2-CE 4.14Å; L353-M356 PolarHBondContact O-N 2.97Å; L353-W357 WeakPolarHBondContact O-CB 3.19Å; L353-W357 PolarHBondContact O-N 3.01Å; L353-W376 HydrophobicContact CD2-CH2 3.93Å; L353-W376 HydrophobicContact CD2-CZ3 3.98Å; L353-W376 HydrophobicContact CG-CZ3 4.3Å; L353-I430 HydrophobicContact CD2-CG2 4.19Å; L353-V433 HydrophobicContact CD1-CG1 4.16Å; L353-V433 HydrophobicContact CD2-CB 4.31Å; L353-V433 HydrophobicContact CD2-CG1 4.08Å; L353-L437 HydrophobicContact CD1-CD2 4.49Å |
| 354 | L | 92.7 | Very high | 90.9 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 174 | 179.3 | 62.3 | 0 | 0 | 0 | 112.2 | A350 G351 I352 M356 W357 L358 | A350-L354 PolarHBondContact O-N 3.47Å; G351-L354 PolarHBondContact O-N 3.45Å; I352-L354 VanDerWaalsContact C-N 3.34Å; L354-M356 PolarHBondContact O-N 3.23Å; L354-W357 HydrophobicContact CD1-CE3 4.29Å; L354-W357 PolarHBondContact O-N 2.98Å; L354-L358 HydrophobicContact CD1-CD1 4.01Å; L354-L358 HydrophobicContact CD1-CG 4.18Å; L354-L358 HydrophobicContact CG-CD1 4.03Å; L354-L358 WeakPolarHBondContact O-CG 3.35Å; L354-L358 PolarHBondContact O-N 3.35Å |
| 355 | V | 93.3 | Very high | 90.6 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 175 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | G351 I352 W357 L358 W359 I372 | G351-V355 WeakPolarHBondContact O-CG2 3.14Å; G351-V355 PolarHBondContact O-N 3.02Å; I352-V355 PolarHBondContact O-N 3.26Å; V355-W357 VanDerWaalsContact C-N 3.28Å; V355-W357 PolarHBondContact O-N 3.35Å; V355-L358 PolarHBondContact O-N 3.2Å; V355-W359 VanDerWaalsContact O-CB 3.26Å; V355-W359 WeakPolarHBondContact O-CB 3.43Å; V355-W359 PolarHBondContact O-N 3.36Å; V355-I372 HydrophobicContact CG1-CD1 4.28Å; V355-I372 HydrophobicContact CG1-CG1 4.4Å |
| 356 | M | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.2 | -26.3 | 178 | -70.1 | -170.7 | -57.5 | 0 | 0 | 113.5 | F292 V297 Y301 I352 L353 L354 I372 W376 I430 | F292-M356 HydrophobicContact CE1-CE 3.93Å; V297-M356 HydrophobicContact CG1-SD 3.91Å; V297-M356 HydrophobicContact CG2-CE 4.13Å; V297-M356 HydrophobicContact CG2-SD 3.76Å; Y301-M356 HydrophobicContact CE1-CB 4.3Å; Y301-M356 HydrophobicContact CE1-CG 4.48Å; Y301-M356 PolarHBondContact OH-O 3.39Å; I352-M356 HydrophobicContact CG1-CE 4.43Å; I352-M356 WeakPolarHBondContact O-CG 3.36Å; I352-M356 PolarHBondContact O-N 3.35Å; L353-M356 HydrophobicContact CD2-CE 4.14Å; L353-M356 PolarHBondContact O-N 2.97Å; L354-M356 PolarHBondContact O-N 3.23Å; M356-I372 HydrophobicContact CG-CD1 4.18Å; M356-I372 HydrophobicContact CG-CG2 4.36Å; M356-I372 HydrophobicContact SD-CG2 4.01Å; M356-W376 HydrophobicContact CE-CE3 4.11Å; M356-W376 HydrophobicContact CE-CH2 4.13Å; M356-W376 HydrophobicContact CE-CZ3 3.4Å; M356-I430 HydrophobicContact CB-CD1 4.44Å |
| 357 | W | 91.7 | Very high | 90.5 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75.3 | -32.8 | 174 | -175.4 | 81 | 0 | 0 | 0 | 113 | R199 L353 L354 V355 I430 Y431 | R199-W357 WeakPolarHBondContact CD-O 3.37Å; R199-W357 PolarHBondContact NH1-O 3.42Å; L353-W357 WeakPolarHBondContact O-CB 3.19Å; L353-W357 PolarHBondContact O-N 3.01Å; L354-W357 HydrophobicContact CD1-CE3 4.29Å; L354-W357 PolarHBondContact O-N 2.98Å; V355-W357 VanDerWaalsContact C-N 3.28Å; V355-W357 PolarHBondContact O-N 3.35Å; W357-I430 HydrophobicContact CB-CG2 4.42Å; W357-Y431 AromaticContact CD1-CE1 3.96Å; W357-Y431 AromaticContact NE1-CE1 3.63Å; W357-Y431 AromaticContact NE1-CZ 3.5Å; W357-Y431 PolarHBondContact NE1-OH 3.4Å |
| 358 | L | 91 | Very high | 90.5 | Very high | 106 Ų | 106 | 55.3 Ų | 55.3 | 56% | 0.555 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -84.6 | -42.4 | 178.5 | -69.6 | 172.7 | 0 | 0 | 0 | 113.3 | L354 V355 | L354-L358 HydrophobicContact CD1-CD1 4.01Å; L354-L358 HydrophobicContact CD1-CG 4.18Å; L354-L358 HydrophobicContact CG-CD1 4.03Å; L354-L358 WeakPolarHBondContact O-CG 3.35Å; L354-L358 PolarHBondContact O-N 3.35Å; V355-L358 PolarHBondContact O-N 3.2Å |
| 359 | W | 91.2 | Very high | 90.5 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 16% | 0.163 | 30% | 0.303 | C | S | . | . | trans | -86.4 | 143.1 | -169.7 | 177.5 | 69.9 | 0 | 0 | 0 | 113.1 | Y301 V355 P361 D365 V368 F369 I372 | Y301-W359 AromaticContact CD1-CE3 3.97Å; Y301-W359 HydrophobicContact CD1-CE3 3.97Å; Y301-W359 AromaticContact CD1-CZ3 3.81Å; Y301-W359 HydrophobicContact CD1-CZ3 3.81Å; Y301-W359 HydrophobicContact CE1-CE3 4.26Å; V355-W359 VanDerWaalsContact O-CB 3.26Å; V355-W359 WeakPolarHBondContact O-CB 3.43Å; V355-W359 PolarHBondContact O-N 3.36Å; W359-P361 HydrophobicContact CH2-CB 3.79Å; W359-P361 HydrophobicContact CZ2-CB 4.18Å; W359-P361 HydrophobicContact CZ3-CB 3.98Å; W359-D365 HydrophobicContact CZ2-CB 3.67Å; W359-D365 PolarHBondContact NE1-OD2 3.16Å; W359-V368 HydrophobicContact CD2-CG1 4.06Å; W359-V368 HydrophobicContact CE3-CG1 4.1Å; W359-V368 HydrophobicContact CH2-CB 3.87Å; W359-V368 HydrophobicContact CH2-CG1 3.71Å; W359-V368 HydrophobicContact CZ2-CB 3.72Å; W359-V368 HydrophobicContact CZ2-CG1 3.68Å; W359-V368 HydrophobicContact CZ2-CG2 4.25Å; W359-V368 HydrophobicContact CZ3-CG1 3.93Å; W359-F369 AromaticContact CH2-CD1 3.73Å; W359-F369 HydrophobicContact CH2-CD1 3.73Å; W359-F369 AromaticContact CH2-CE1 3.5Å; W359-F369 HydrophobicContact CH2-CE1 3.5Å; W359-F369 HydrophobicContact CH2-CZ 4.26Å; W359-F369 HydrophobicContact CZ3-CD1 4.19Å; W359-F369 HydrophobicContact CZ3-CE1 4.1Å; W359-I372 HydrophobicContact CE3-CD1 3.9Å; W359-I372 HydrophobicContact CZ3-CD1 3.72Å | ||
| 360 | V | 88.7 | Confident | 90.6 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | trans | -112.8 | 126.9 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | S362 | V360-S362 PolarHBondContact O-N 2.97Š| ||
| 361 | P | 88.8 | Confident | 90.7 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | trans | -74.7 | 117.1 | -169.3 | 31 | -37.7 | 0 | 0 | 0 | 112.6 | K197 Y301 V305 W359 F369 | K197-P361 HydrophobicContact CB-CG 3.94Å; Y301-P361 HydrophobicContact CD1-CB 4.16Å; Y301-P361 HydrophobicContact CD1-CG 4Å; V305-P361 HydrophobicContact CG2-CB 4.05Å; V305-P361 HydrophobicContact CG2-CG 4.2Å; W359-P361 HydrophobicContact CH2-CB 3.79Å; W359-P361 HydrophobicContact CZ2-CB 4.18Å; W359-P361 HydrophobicContact CZ3-CB 3.98Å; P361-F369 HydrophobicContact CB-CE1 3.84Å; P361-F369 HydrophobicContact CB-CZ 4.17Å | ||
| 362 | S | 86.9 | Confident | 90.7 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | trans | -94.4 | 161.2 | 170.5 | -167.7 | 0 | 0 | 0 | 0 | 112.3 | V305 V360 D364 | V305-S362 WeakPolarHBondContact CG1-O 3.14Å; V360-S362 PolarHBondContact O-N 2.97Å; S362-D364 VanDerWaalsContact C-N 3.35Å; S362-D364 PolarHBondContact OG-OD2 3.4Å | ||
| 363 | K | 82 | Confident | 90.7 | Very high | 106 Ų | 106 | 57.2 Ų | 57.2 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -70.6 | -30.9 | 176.9 | -173.4 | 171.7 | 177.1 | 175 | 0 | 112.5 | V305 Q366 | V305-K363 VanDerWaalsContact CG1-CA 3.41Å; V305-K363 HydrophobicContact CG1-CB 3.95Å; V305-K363 HydrophobicContact CG1-CG 4.44Å; K363-Q366 VanDerWaalsContact O-CG 3.28Å; K363-Q366 WeakPolarHBondContact O-CG 3.45Å |
| 364 | D | 85.3 | Confident | 90.9 | Very high | 145 Ų | 145 | 60.2 Ų | 60.2 | 78% | 0.775 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -78.6 | -25.6 | -178.1 | -43.5 | -65.4 | 0 | 0 | 0 | 111.8 | S362 Q366 | S362-D364 VanDerWaalsContact C-N 3.35Å; S362-D364 PolarHBondContact OG-OD2 3.4Å; D364-Q366 PolarHBondContact O-N 2.72Å |
| 365 | D | 86.3 | Confident | 91 | Very high | 61 Ų | 61 | 58 Ų | 58 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | trans | -78.3 | 26.4 | -177 | -71.6 | -15.9 | 0 | 0 | 0 | 113.9 | W359 A367 V368 | W359-D365 HydrophobicContact CZ2-CB 3.67Å; W359-D365 PolarHBondContact NE1-OD2 3.16Å; D365-A367 PolarHBondContact O-N 3.28Å; D365-V368 HydrophobicContact CB-CB 4.4Å; D365-V368 HydrophobicContact CB-CG2 3.96Å; D365-V368 WeakPolarHBondContact O-CB 3.41Å; D365-V368 PolarHBondContact O-N 3.33Å | ||
| 366 | Q | 86.8 | Confident | 91.1 | Very high | 73 Ų | 73 | 54.9 Ų | 54.9 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.7 | -31.7 | -172.1 | -66 | -158.3 | -25.8 | 0 | 0 | 113.8 | S306 K363 D364 V368 F369 Y370 | S306-Q366 PolarHBondContact OG-NE2 3.07Å; K363-Q366 VanDerWaalsContact O-CG 3.28Å; K363-Q366 WeakPolarHBondContact O-CG 3.45Å; D364-Q366 PolarHBondContact O-N 2.72Å; Q366-V368 PolarHBondContact O-N 3.34Å; Q366-F369 HydrophobicContact CB-CD2 4.36Å; Q366-F369 HydrophobicContact CG-CE2 4.4Å; Q366-F369 PolarHBondContact O-N 2.99Å; Q366-Y370 WeakPolarHBondContact O-CD2 3.19Å |
| 367 | A | 92.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 54.9 Ų | 54.9 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -56.6 | -34.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D365 F369 Y370 V371 | D365-A367 PolarHBondContact O-N 3.28Å; A367-F369 PolarHBondContact O-N 2.92Å; A367-Y370 PolarHBondContact O-N 3.48Å; A367-V371 WeakPolarHBondContact O-CG2 3.24Å; A367-V371 PolarHBondContact O-N 3.31Å; A367-V371 VanDerWaalsContact O-N 3.08Å |
| 368 | V | 92.8 | Very high | 91.4 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | -177.7 | -176 | 0 | 0 | 0 | 0 | 111.1 | W359 D365 Q366 Y370 V371 I372 | W359-V368 HydrophobicContact CD2-CG1 4.06Å; W359-V368 HydrophobicContact CE3-CG1 4.1Å; W359-V368 HydrophobicContact CH2-CB 3.87Å; W359-V368 HydrophobicContact CH2-CG1 3.71Å; W359-V368 HydrophobicContact CZ2-CB 3.72Å; W359-V368 HydrophobicContact CZ2-CG1 3.68Å; W359-V368 HydrophobicContact CZ2-CG2 4.25Å; W359-V368 HydrophobicContact CZ3-CG1 3.93Å; D365-V368 HydrophobicContact CB-CB 4.4Å; D365-V368 HydrophobicContact CB-CG2 3.96Å; D365-V368 WeakPolarHBondContact O-CB 3.41Å; D365-V368 PolarHBondContact O-N 3.33Å; Q366-V368 PolarHBondContact O-N 3.34Å; V368-Y370 VanDerWaalsContact C-N 3.32Å; V368-Y370 PolarHBondContact O-N 2.96Å; V368-V371 PolarHBondContact O-N 3.46Å; V368-I372 HydrophobicContact CG1-CD1 3.78Å; V368-I372 HydrophobicContact CG1-CG1 4.19Å; V368-I372 WeakPolarHBondContact O-CB 3.07Å; V368-I372 VanDerWaalsContact O-CG1 3.3Å; V368-I372 WeakPolarHBondContact O-CG1 3.4Å; V368-I372 PolarHBondContact O-N 3.14Å |
| 369 | F | 92.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.7 | -45.9 | 174.6 | -57.7 | -50.9 | 0 | 0 | 0 | 111.6 | Y301 V302 V305 V314 W359 P361 Q366 A367 V373 | Y301-F369 WeakPolarHBondContact O-CE1 3.49Å; Y301-F369 WeakPolarHBondContact O-CZ 3.41Å; V302-F369 HydrophobicContact CG2-CB 4.34Å; V302-F369 HydrophobicContact CG2-CD1 3.9Å; V302-F369 HydrophobicContact CG2-CE1 4.41Å; V302-F369 HydrophobicContact CG2-CG 4.13Å; V305-F369 HydrophobicContact CB-CZ 4.12Å; V305-F369 HydrophobicContact CG1-CE2 4.41Å; V305-F369 HydrophobicContact CG1-CZ 4.06Å; V314-F369 HydrophobicContact CG2-CB 4.07Å; W359-F369 AromaticContact CH2-CD1 3.73Å; W359-F369 HydrophobicContact CH2-CD1 3.73Å; W359-F369 AromaticContact CH2-CE1 3.5Å; W359-F369 HydrophobicContact CH2-CE1 3.5Å; W359-F369 HydrophobicContact CH2-CZ 4.26Å; W359-F369 HydrophobicContact CZ3-CD1 4.19Å; W359-F369 HydrophobicContact CZ3-CE1 4.1Å; P361-F369 HydrophobicContact CB-CE1 3.84Å; P361-F369 HydrophobicContact CB-CZ 4.17Å; Q366-F369 HydrophobicContact CB-CD2 4.36Å; Q366-F369 HydrophobicContact CG-CE2 4.4Å; Q366-F369 PolarHBondContact O-N 2.99Å; A367-F369 PolarHBondContact O-N 2.92Å; F369-V373 WeakPolarHBondContact O-CB 3.07Å; F369-V373 VanDerWaalsContact O-CG2 3.29Å; F369-V373 WeakPolarHBondContact O-CG2 3.3Å; F369-V373 PolarHBondContact O-N 2.77Å |
| 370 | Y | 94.5 | Very high | 91.6 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 178.5 | -61 | -76.1 | 0 | 0 | 0 | 111.8 | V314 C317 Q366 A367 V368 I372 V373 M374 | V314-Y370 HydrophobicContact CB-CD1 4.47Å; V314-Y370 HydrophobicContact CB-CE1 4.27Å; V314-Y370 HydrophobicContact CG2-CD1 3.94Å; V314-Y370 HydrophobicContact CG2-CE1 3.6Å; V314-Y370 HydrophobicContact CG2-CE2 4.49Å; C317-Y370 HydrophobicContact CB-CD1 4Å; Q366-Y370 WeakPolarHBondContact O-CD2 3.19Å; A367-Y370 PolarHBondContact O-N 3.48Å; V368-Y370 VanDerWaalsContact C-N 3.32Å; V368-Y370 PolarHBondContact O-N 2.96Å; Y370-I372 PolarHBondContact O-N 3.45Å; Y370-V373 PolarHBondContact O-N 3.28Å; Y370-M374 WeakPolarHBondContact O-CB 3.07Å; Y370-M374 WeakPolarHBondContact O-CE 3.21Å; Y370-M374 VanDerWaalsContact O-CG 3.24Å; Y370-M374 WeakPolarHBondContact O-CG 3.48Å; Y370-M374 PolarHBondContact O-N 3.02Å |
| 371 | V | 95.2 | Very high | 91.9 | Very high | 85 Ų | 85 | 42.3 Ų | 42.3 | 52% | 0.515 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | A367 V368 T375 | A367-V371 WeakPolarHBondContact O-CG2 3.24Å; A367-V371 PolarHBondContact O-N 3.31Å; A367-V371 VanDerWaalsContact O-N 3.08Å; V368-V371 PolarHBondContact O-N 3.46Å; V371-T375 WeakPolarHBondContact O-CB 3.29Å; V371-T375 PolarHBondContact O-N 3.37Å; V371-T375 VanDerWaalsContact O-N 3.1Å; V371-T375 PolarHBondContact O-OG1 3.35Å |
| 372 | I | 94.5 | Very high | 92.1 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.8 | -58.3 | 172 | -73.1 | 174.1 | 0 | 0 | 0 | 109.1 | I352 V355 M356 W359 V368 Y370 M374 T375 W376 | I352-I372 HydrophobicContact CD1-CB 4.13Å; I352-I372 HydrophobicContact CD1-CG2 3.64Å; I352-I372 WeakPolarHBondContact CD1-O 3.27Å; I352-I372 HydrophobicContact CG1-CG2 4Å; V355-I372 HydrophobicContact CG1-CD1 4.28Å; V355-I372 HydrophobicContact CG1-CG1 4.4Å; M356-I372 HydrophobicContact CG-CD1 4.18Å; M356-I372 HydrophobicContact CG-CG2 4.36Å; M356-I372 HydrophobicContact SD-CG2 4.01Å; W359-I372 HydrophobicContact CE3-CD1 3.9Å; W359-I372 HydrophobicContact CZ3-CD1 3.72Å; V368-I372 HydrophobicContact CG1-CD1 3.78Å; V368-I372 HydrophobicContact CG1-CG1 4.19Å; V368-I372 WeakPolarHBondContact O-CB 3.07Å; V368-I372 VanDerWaalsContact O-CG1 3.3Å; V368-I372 WeakPolarHBondContact O-CG1 3.4Å; V368-I372 PolarHBondContact O-N 3.14Å; Y370-I372 PolarHBondContact O-N 3.45Å; I372-M374 PolarHBondContact O-N 3.33Å; I372-T375 WeakPolarHBondContact O-CB 3.22Å; I372-T375 PolarHBondContact O-N 3.41Å; I372-T375 VanDerWaalsContact O-N 3.08Å; I372-W376 PolarHBondContact O-N 3.29Å |
| 373 | V | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.4 | -31.5 | -168.7 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | M298 V314 Y318 F369 Y370 G377 | M298-V373 HydrophobicContact CE-CG1 4.16Å; M298-V373 HydrophobicContact CE-CG2 3.61Å; V314-V373 HydrophobicContact CG1-CB 3.84Å; V314-V373 HydrophobicContact CG1-CG1 3.9Å; V314-V373 HydrophobicContact CG1-CG2 3.63Å; Y318-V373 VanDerWaalsContact CB-CG1 3.48Å; Y318-V373 HydrophobicContact CD2-CG1 4.05Å; Y318-V373 HydrophobicContact CG-CG1 4.08Å; F369-V373 WeakPolarHBondContact O-CB 3.07Å; F369-V373 VanDerWaalsContact O-CG2 3.29Å; F369-V373 WeakPolarHBondContact O-CG2 3.3Å; F369-V373 PolarHBondContact O-N 2.77Å; Y370-V373 PolarHBondContact O-N 3.28Å; V373-G377 PolarHBondContact O-N 3.41Å |
| 374 | M | 95.6 | Very high | 92.7 | Very high | 73 Ų | 73 | 36.7 Ų | 36.7 | 36% | 0.36 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -45 | 168.8 | -69.8 | -173.2 | -66.7 | 0 | 0 | 111.7 | C317 T321 Y370 I372 W376 G377 F378 | C317-M374 HydrophobicContact CB-CG 4.19Å; T321-M374 WeakPolarHBondContact CG2-O 3.48Å; T321-M374 WeakPolarHBondContact OG1-CB 3.45Å; T321-M374 WeakPolarHBondContact OG1-CG 3.18Å; Y370-M374 WeakPolarHBondContact O-CB 3.07Å; Y370-M374 WeakPolarHBondContact O-CE 3.21Å; Y370-M374 VanDerWaalsContact O-CG 3.24Å; Y370-M374 WeakPolarHBondContact O-CG 3.48Å; Y370-M374 PolarHBondContact O-N 3.02Å; I372-M374 PolarHBondContact O-N 3.33Å; M374-W376 VanDerWaalsContact C-N 3.29Å; M374-W376 PolarHBondContact O-N 3.32Å; M374-G377 WeakPolarHBondContact O-CA 3.48Å; M374-G377 PolarHBondContact O-N 2.9Å; M374-F378 PolarHBondContact O-N 3.1Å |
| 375 | T | 95.6 | Very high | 93 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 31% | 0.307 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.3 | -37.4 | 178 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | I352 V371 I372 F378 S379 | I352-T375 HydrophobicContact CD1-CG2 4.35Å; V371-T375 WeakPolarHBondContact O-CB 3.29Å; V371-T375 PolarHBondContact O-N 3.37Å; V371-T375 VanDerWaalsContact O-N 3.1Å; V371-T375 PolarHBondContact O-OG1 3.35Å; I372-T375 WeakPolarHBondContact O-CB 3.22Å; I372-T375 PolarHBondContact O-N 3.41Å; I372-T375 VanDerWaalsContact O-N 3.08Å; T375-F378 WeakPolarHBondContact O-CB 3.49Å; T375-F378 PolarHBondContact O-N 2.99Å; T375-S379 PolarHBondContact O-N 3.14Å; T375-S379 VanDerWaalsContact O-N 3.14Å; T375-S379 PolarHBondContact O-OG 2.95Å |
| 376 | W | 94.9 | Very high | 93 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.6 | -34.1 | 172.4 | -159.6 | -74.7 | 0 | 0 | 0 | 112.8 | N289 F292 V293 I352 L353 M356 I372 M374 F378 S379 H380 V433 | N289-W376 PolarHBondContact ND2-NE1 3.23Å; N289-W376 PolarHBondContact O-NE1 3.25Å; N289-W376 WeakPolarHBondContact OD1-CZ2 3.46Å; F292-W376 AromaticContact CD1-CH2 3.46Å; F292-W376 HydrophobicContact CD1-CH2 3.46Å; F292-W376 VanDerWaalsContact CD1-CH2 3.46Å; F292-W376 AromaticContact CD1-CZ2 3.78Å; F292-W376 HydrophobicContact CD1-CZ2 3.78Å; F292-W376 HydrophobicContact CD1-CZ3 4.44Å; F292-W376 AromaticContact CE1-CH2 3.84Å; F292-W376 HydrophobicContact CE1-CH2 3.84Å; F292-W376 HydrophobicContact CE1-CZ3 4.49Å; V293-W376 HydrophobicContact CB-CD2 4.07Å; V293-W376 HydrophobicContact CB-CG 4.03Å; V293-W376 HydrophobicContact CB-CZ2 4.19Å; V293-W376 HydrophobicContact CG1-CG 4.34Å; V293-W376 VanDerWaalsContact CG1-NE1 3.32Å; V293-W376 HydrophobicContact CG2-CB 4.32Å; V293-W376 HydrophobicContact CG2-CD2 4.23Å; V293-W376 HydrophobicContact CG2-CG 3.89Å; I352-W376 HydrophobicContact CB-CE3 4.46Å; I352-W376 HydrophobicContact CD1-CB 3.95Å; I352-W376 HydrophobicContact CD1-CE3 3.8Å; I352-W376 HydrophobicContact CG1-CE3 3.96Å; I352-W376 HydrophobicContact CG1-CZ3 4.46Å; I352-W376 HydrophobicContact CG2-CE3 3.63Å; I352-W376 HydrophobicContact CG2-CZ3 3.9Å; L353-W376 HydrophobicContact CD2-CH2 3.93Å; L353-W376 HydrophobicContact CD2-CZ3 3.98Å; L353-W376 HydrophobicContact CG-CZ3 4.3Å; M356-W376 HydrophobicContact CE-CE3 4.11Å; M356-W376 HydrophobicContact CE-CH2 4.13Å; M356-W376 HydrophobicContact CE-CZ3 3.4Å; I372-W376 PolarHBondContact O-N 3.29Å; M374-W376 VanDerWaalsContact C-N 3.29Å; M374-W376 PolarHBondContact O-N 3.32Å; W376-F378 VanDerWaalsContact C-N 3.35Å; W376-S379 PolarHBondContact O-OG 3.03Å; W376-S379 VanDerWaalsContact O-OG 3.12Å; W376-H380 WeakPolarHBondContact O-CB 3.31Å; W376-H380 PolarHBondContact O-N 2.87Å; W376-V433 HydrophobicContact CH2-CG1 4.42Å |
| 377 | G | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N322 V373 M374 R381 | N322-G377 PolarHBondContact OD1-O 3.4Å; V373-G377 PolarHBondContact O-N 3.41Å; M374-G377 WeakPolarHBondContact O-CA 3.48Å; M374-G377 PolarHBondContact O-N 2.9Å; G377-R381 WeakPolarHBondContact O-CG 3.2Å; G377-R381 PolarHBondContact O-N 3.22Å |
| 378 | F | 94.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 20.8 Ų | 20.8 | 21% | 0.206 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.7 | -55.9 | 176.2 | 174.4 | -100.8 | 0 | 0 | 0 | 112.4 | T321 M325 V344 T348 M374 T375 W376 H380 R381 I382 | T321-F378 HydrophobicContact CG2-CB 4.34Å; M325-F378 HydrophobicContact CE-CD2 3.91Å; M325-F378 HydrophobicContact CE-CE2 4.46Å; M325-F378 HydrophobicContact CG-CD2 3.91Å; M325-F378 HydrophobicContact SD-CD2 3.67Å; M325-F378 HydrophobicContact SD-CE2 4.08Å; V344-F378 HydrophobicContact CG1-CE1 3.6Å; V344-F378 HydrophobicContact CG1-CZ 3.71Å; T348-F378 HydrophobicContact CG2-CD1 4.13Å; T348-F378 HydrophobicContact CG2-CE1 3.94Å; M374-F378 PolarHBondContact O-N 3.1Å; T375-F378 WeakPolarHBondContact O-CB 3.49Å; T375-F378 PolarHBondContact O-N 2.99Å; W376-F378 VanDerWaalsContact C-N 3.35Å; F378-H380 PolarHBondContact O-N 3.44Å; F378-R381 PolarHBondContact O-N 2.88Å; F378-I382 HydrophobicContact CD1-CD1 4.2Å; F378-I382 HydrophobicContact CE1-CD1 3.71Å; F378-I382 HydrophobicContact CE2-CD1 4.32Å; F378-I382 HydrophobicContact CZ-CD1 3.79Å; F378-I382 PolarHBondContact O-N 2.95Å |
| 379 | S | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 179.3 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | Q349 T375 W376 R381 I382 W383 | Q349-S379 PolarHBondContact OE1-OG 2.91Å; T375-S379 PolarHBondContact O-N 3.14Å; T375-S379 VanDerWaalsContact O-N 3.14Å; T375-S379 PolarHBondContact O-OG 2.95Å; W376-S379 PolarHBondContact O-OG 3.03Å; W376-S379 VanDerWaalsContact O-OG 3.12Å; S379-R381 PolarHBondContact O-N 3.38Å; S379-I382 WeakPolarHBondContact O-CB 3.34Å; S379-I382 PolarHBondContact O-N 3.49Å; S379-I382 VanDerWaalsContact O-N 3.17Å; S379-W383 PolarHBondContact O-N 2.81Å |
| 380 | H | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | -179.4 | 174.3 | 97 | 0 | 0 | 0 | 112.7 | E290 W376 F378 W383 R384 | E290-H380 IonicContact OE2-CE1 3.74Å; E290-H380 IonicContact OE2-NE2 4Å; W376-H380 WeakPolarHBondContact O-CB 3.31Å; W376-H380 PolarHBondContact O-N 2.87Å; F378-H380 PolarHBondContact O-N 3.44Å; H380-W383 PolarHBondContact O-N 3.19Å; H380-R384 PolarHBondContact CE1-NH2 2.99Å; H380-R384 PolarHBondContact O-N 2.59Å |
| 381 | R | 94.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 172.8 | -73.5 | -52.8 | 116.5 | -157.2 | 2.2 | 112.4 | H161 N322 M325 I329 G377 F378 S379 T385 | H161-R381 PolarHBondContact CE1-NH1 3.14Å; H161-R381 VanDerWaalsContact NE2-CZ 3.3Å; H161-R381 PolarHBondContact NE2-NH1 3.01Å; N322-R381 HydrophobicContact CB-CG 4.29Å; N322-R381 VanDerWaalsContact CG-NH2 3.35Å; N322-R381 WeakPolarHBondContact O-CD 3.29Å; N322-R381 PolarHBondContact OD1-NE 2.83Å; N322-R381 PolarHBondContact OD1-NH2 3.17Å; N322-R381 VanDerWaalsContact OD1-NH2 3.16Å; M325-R381 HydrophobicContact CB-CB 4.09Å; M325-R381 HydrophobicContact CB-CG 4.02Å; I329-R381 HydrophobicContact CD1-CB 3.75Å; G377-R381 WeakPolarHBondContact O-CG 3.2Å; G377-R381 PolarHBondContact O-N 3.22Å; F378-R381 PolarHBondContact O-N 2.88Å; S379-R381 PolarHBondContact O-N 3.38Å; R381-T385 WeakPolarHBondContact O-CB 3.42Å; R381-T385 PolarHBondContact O-N 2.79Å; R381-T385 PolarHBondContact O-OG1 3.03Å |
| 382 | I | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.4 | -54.4 | 174.5 | -67.6 | 171.4 | 0 | 0 | 0 | 109.6 | I329 F341 V344 F378 S379 R384 T385 F386 | I329-I382 HydrophobicContact CD1-CB 4.45Å; I329-I382 HydrophobicContact CD1-CG1 3.6Å; I329-I382 HydrophobicContact CG1-CG1 4.47Å; F341-I382 HydrophobicContact CB-CG2 4.2Å; F341-I382 WeakPolarHBondContact O-CG2 3.38Å; V344-I382 HydrophobicContact CG1-CD1 4.06Å; F378-I382 HydrophobicContact CD1-CD1 4.2Å; F378-I382 HydrophobicContact CE1-CD1 3.71Å; F378-I382 HydrophobicContact CE2-CD1 4.32Å; F378-I382 HydrophobicContact CZ-CD1 3.79Å; F378-I382 PolarHBondContact O-N 2.95Å; S379-I382 WeakPolarHBondContact O-CB 3.34Å; S379-I382 PolarHBondContact O-N 3.49Å; S379-I382 VanDerWaalsContact O-N 3.17Å; I382-R384 PolarHBondContact O-N 2.8Å; I382-T385 PolarHBondContact O-N 3.16Å; I382-F386 HydrophobicContact CG2-CD2 4.07Å; I382-F386 WeakPolarHBondContact O-CB 3.48Å; I382-F386 WeakPolarHBondContact O-CD2 3.49Å; I382-F386 PolarHBondContact O-N 3.43Å |
| 383 | W | 90.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 17.8 Ų | 17.8 | 5% | 0.053 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | -177.8 | -68.1 | 118.4 | 0 | 0 | 0 | 113 | L282 I286 L342 G345 F346 S379 H380 G387 L437 | L282-W383 HydrophobicContact CD1-CE3 3.83Å; L282-W383 HydrophobicContact CD1-CZ3 3.91Å; I286-W383 HydrophobicContact CD1-CB 4.39Å; I286-W383 VanDerWaalsContact CD1-O 3.31Å; I286-W383 WeakPolarHBondContact CD1-O 3.49Å; I286-W383 HydrophobicContact CG1-CB 4.01Å; L342-W383 HydrophobicContact CD2-CE3 4.08Å; L342-W383 HydrophobicContact CD2-CZ3 3.82Å; G345-W383 PolarHBondContact O-NE1 3.38Å; F346-W383 HydrophobicContact CB-CH2 4.38Å; F346-W383 HydrophobicContact CB-CZ2 4Å; S379-W383 PolarHBondContact O-N 2.81Å; H380-W383 PolarHBondContact O-N 3.19Å; W383-G387 PolarHBondContact O-N 2.69Å; W383-L437 HydrophobicContact CZ2-CD1 3.89Å |
| 384 | R | 91.1 | Very high | 88.8 | Confident | 29 Ų | 29 | 19.2 Ų | 19.2 | 11% | 0.109 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.1 | -55 | 176.2 | -178.1 | 146.3 | -63.2 | 157.2 | 12.1 | 112.1 | E290 H380 I382 F386 G387 E388 Y406 | E290-R384 IonicContact OE2-CZ 3.75Å; E290-R384 IonicContact OE2-NH1 3.92Å; E290-R384 PolarHBondContact OE2-NH1 3.05Å; E290-R384 IonicContact OE2-NH2 2.65Å; E290-R384 PolarHBondContact OE2-NH2 3.33Å; H380-R384 PolarHBondContact CE1-NH2 2.99Å; H380-R384 PolarHBondContact O-N 2.59Å; I382-R384 PolarHBondContact O-N 2.8Å; R384-F386 PolarHBondContact O-N 3.38Å; R384-G387 PolarHBondContact O-N 3.28Å; R384-G387 VanDerWaalsContact O-N 3.16Å; R384-E388 WeakPolarHBondContact CG-OE1 3.49Å; R384-E388 PolarHBondContact O-N 2.94Å; R384-Y406 PolarHBondContact O-OH 2.85Å |
| 385 | T | 90.6 | Very high | 88.1 | Confident | 8 Ų | 8 | 16.9 Ų | 16.9 | 5% | 0.049 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | -174.8 | -45.3 | 0 | 0 | 0 | 0 | 111.9 | I329 R381 I382 R389 | I329-T385 HydrophobicContact CG2-CG2 3.98Å; R381-T385 WeakPolarHBondContact O-CB 3.42Å; R381-T385 PolarHBondContact O-N 2.79Å; R381-T385 PolarHBondContact O-OG1 3.03Å; I382-T385 PolarHBondContact O-N 3.16Å; T385-R389 WeakPolarHBondContact O-CB 3.15Å; T385-R389 PolarHBondContact O-N 2.76Å |
| 386 | F | 87.3 | Confident | 87 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -76.6 | -29.1 | 176.7 | -79.2 | -75.9 | 0 | 0 | 0 | 113.4 | I329 A333 R338 F341 L342 I382 R384 R389 M390 | I329-F386 HydrophobicContact CG2-CE2 3.88Å; A333-F386 HydrophobicContact CB-CZ 3.99Å; R338-F386 HydrophobicContact CB-CD1 4.22Å; R338-F386 HydrophobicContact CB-CE1 3.9Å; R338-F386 HydrophobicContact CG-CD1 3.69Å; R338-F386 HydrophobicContact CG-CE1 3.89Å; F341-F386 HydrophobicContact CB-CD2 3.97Å; F341-F386 HydrophobicContact CB-CE2 3.35Å; F341-F386 HydrophobicContact CB-CZ 3.82Å; F341-F386 HydrophobicContact CD1-CE2 4.21Å; F341-F386 HydrophobicContact CD2-CE1 4.47Å; F341-F386 AromaticContact CD2-CE2 3.63Å; F341-F386 HydrophobicContact CD2-CE2 3.63Å; F341-F386 AromaticContact CD2-CZ 3.37Å; F341-F386 HydrophobicContact CD2-CZ 3.37Å; F341-F386 HydrophobicContact CE2-CE2 4.42Å; F341-F386 HydrophobicContact CE2-CZ 4.07Å; F341-F386 AromaticContact CG-CE2 3.49Å; F341-F386 HydrophobicContact CG-CE2 3.49Å; F341-F386 VanDerWaalsContact CG-CE2 3.49Å; F341-F386 AromaticContact CG-CZ 3.76Å; F341-F386 HydrophobicContact CG-CZ 3.76Å; L342-F386 HydrophobicContact CD2-CB 3.92Å; L342-F386 HydrophobicContact CD2-CG 4.41Å; I382-F386 HydrophobicContact CG2-CD2 4.07Å; I382-F386 WeakPolarHBondContact O-CB 3.48Å; I382-F386 WeakPolarHBondContact O-CD2 3.49Å; I382-F386 PolarHBondContact O-N 3.43Å; R384-F386 PolarHBondContact O-N 3.38Å; F386-R389 PolarHBondContact O-N 3.2Å; F386-M390 HydrophobicContact CB-SD 4.42Å; F386-M390 VanDerWaalsContact O-CB 3.24Å; F386-M390 WeakPolarHBondContact O-CB 3.28Å; F386-M390 WeakPolarHBondContact O-CG 3.3Å; F386-M390 PolarHBondContact O-N 2.73Å; F386-M390 VanDerWaalsContact O-SD 3.4Å |
| 387 | G | 86.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.1 | -52.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W383 R384 R389 M390 V391 | W383-G387 PolarHBondContact O-N 2.69Å; R384-G387 PolarHBondContact O-N 3.28Å; R384-G387 VanDerWaalsContact O-N 3.16Å; G387-R389 PolarHBondContact O-N 3.26Å; G387-M390 PolarHBondContact O-N 3.17Å; G387-V391 VanDerWaalsContact O-CG2 3.23Å; G387-V391 WeakPolarHBondContact O-CG2 3.18Å; G387-V391 PolarHBondContact O-N 3.5Å |
| 388 | E | 86.6 | Confident | 85 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | 175.6 | -67.9 | 170.1 | -171.3 | 0 | 0 | 111.9 | H157 R384 M390 V391 Y392 F403 Y406 | H157-E388 IonicContact CE1-OE1 2.83Å; H157-E388 IonicContact CE1-OE2 3.48Å; H157-E388 PolarHBondContact CE1-OE2 3.46Å; H157-E388 IonicContact NE2-OE1 3.63Å; R384-E388 WeakPolarHBondContact CG-OE1 3.49Å; R384-E388 PolarHBondContact O-N 2.94Å; E388-M390 PolarHBondContact O-N 3.33Å; E388-V391 WeakPolarHBondContact O-CB 3.38Å; E388-V391 PolarHBondContact O-N 3.02Å; E388-Y392 PolarHBondContact O-N 2.99Å; E388-F403 HydrophobicContact CB-CE1 3.86Å; E388-F403 HydrophobicContact CB-CZ 4.08Å; E388-F403 HydrophobicContact CG-CE1 4.01Å; E388-F403 VanDerWaalsContact O-CZ 3.27Å; E388-F403 WeakPolarHBondContact O-CZ 2.99Å; E388-Y406 HydrophobicContact CG-CD1 4.25Å; E388-Y406 HydrophobicContact CG-CE1 3.54Å; E388-Y406 HydrophobicContact CG-CE2 4.47Å |
| 389 | R | 83.5 | Confident | 84.2 | Confident | 41 Ų | 41 | 27.8 Ų | 27.8 | 16% | 0.155 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 178.1 | 179.5 | 171.7 | 173.4 | 169.7 | 2.3 | 113 | H150 A333 T385 F386 G387 V391 Y392 E393 | H150-R389 WeakPolarHBondContact NE2-CB 3.47Å; H150-R389 WeakPolarHBondContact NE2-CD 3.47Å; H150-R389 WeakPolarHBondContact NE2-CG 2.95Å; A333-R389 PolarHBondContact O-NH1 3.1Å; T385-R389 WeakPolarHBondContact O-CB 3.15Å; T385-R389 PolarHBondContact O-N 2.76Å; F386-R389 PolarHBondContact O-N 3.2Å; G387-R389 PolarHBondContact O-N 3.26Å; R389-V391 VanDerWaalsContact C-N 3.34Å; R389-Y392 PolarHBondContact O-N 3.31Å; R389-E393 HydrophobicContact CG-CG 4.37Å; R389-E393 IonicContact CZ-OE1 3.37Å; R389-E393 VanDerWaalsContact CZ-OE1 3.25Å; R389-E393 IonicContact NE-OE1 2.69Å; R389-E393 PolarHBondContact NE-OE1 3.3Å; R389-E393 IonicContact NH2-OE1 3.53Å; R389-E393 PolarHBondContact NH2-OE1 2.67Å; R389-E393 WeakPolarHBondContact O-CB 3.28Å; R389-E393 PolarHBondContact O-N 3.16Å |
| 390 | M | 81.4 | Confident | 83.5 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.7 | -33.1 | 179.2 | -74.9 | 161.8 | 59.8 | 0 | 0 | 111.9 | L279 L282 L342 F386 G387 E388 A394 V445 | L279-M390 HydrophobicContact CD2-CE 3.78Å; L282-M390 HydrophobicContact CD2-CE 4.16Å; L342-M390 HydrophobicContact CD1-SD 4.22Å; F386-M390 HydrophobicContact CB-SD 4.42Å; F386-M390 VanDerWaalsContact O-CB 3.24Å; F386-M390 WeakPolarHBondContact O-CB 3.28Å; F386-M390 WeakPolarHBondContact O-CG 3.3Å; F386-M390 PolarHBondContact O-N 2.73Å; F386-M390 VanDerWaalsContact O-SD 3.4Å; G387-M390 PolarHBondContact O-N 3.17Å; E388-M390 PolarHBondContact O-N 3.33Å; M390-A394 WeakPolarHBondContact O-CB 3.48Å; M390-A394 PolarHBondContact O-N 3.36Å; M390-A394 VanDerWaalsContact O-N 3.07Å; M390-V445 HydrophobicContact CE-CG1 3.42Å; M390-V445 VanDerWaalsContact CE-CG1 3.42Å |
| 391 | V | 83.6 | Confident | 83 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 170.6 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | F283 G387 E388 R389 A394 F395 S402 F403 Y406 | F283-V391 HydrophobicContact CE1-CG2 3.87Å; F283-V391 HydrophobicContact CE2-CG2 4.08Å; F283-V391 HydrophobicContact CZ-CG2 3.3Å; G387-V391 VanDerWaalsContact O-CG2 3.23Å; G387-V391 WeakPolarHBondContact O-CG2 3.18Å; G387-V391 PolarHBondContact O-N 3.5Å; E388-V391 WeakPolarHBondContact O-CB 3.38Å; E388-V391 PolarHBondContact O-N 3.02Å; R389-V391 VanDerWaalsContact C-N 3.34Å; V391-A394 PolarHBondContact O-N 3.27Å; V391-F395 PolarHBondContact O-N 3.19Å; V391-S402 VanDerWaalsContact CG1-C 3.44Å; V391-S402 WeakPolarHBondContact CG1-O 3.3Å; V391-F403 HydrophobicContact CB-CE2 4.26Å; V391-F403 HydrophobicContact CG1-CD2 3.71Å; V391-F403 HydrophobicContact CG1-CE2 3.8Å; V391-F403 HydrophobicContact CG1-CG 4.26Å; V391-F403 HydrophobicContact CG1-CZ 4.42Å; V391-Y406 HydrophobicContact CG2-CD2 3.89Å; V391-Y406 HydrophobicContact CG2-CG 4.16Å |
| 392 | Y | 81.3 | Confident | 82.5 | Confident | 25 Ų | 25 | 29.3 Ų | 29.3 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 178.2 | -169.8 | -82.2 | 0 | 0 | 0 | 112.8 | F131 V145 C146 A149 E388 R389 A394 F403 | F131-Y392 HydrophobicContact CD1-CD2 4.1Å; F131-Y392 AromaticContact CD1-CE2 3.83Å; F131-Y392 HydrophobicContact CD1-CE2 3.83Å; F131-Y392 AromaticContact CE1-CD2 3.52Å; F131-Y392 HydrophobicContact CE1-CD2 3.52Å; F131-Y392 AromaticContact CE1-CE2 3.69Å; F131-Y392 HydrophobicContact CE1-CE2 3.69Å; F131-Y392 HydrophobicContact CZ-CD2 4.18Å; V145-Y392 WeakPolarHBondContact CG1-OH 3.28Å; C146-Y392 HydrophobicContact CB-CD1 4.46Å; C146-Y392 HydrophobicContact CB-CE1 3.75Å; A149-Y392 HydrophobicContact CB-CE2 4.48Å; E388-Y392 PolarHBondContact O-N 2.99Å; R389-Y392 PolarHBondContact O-N 3.31Å; Y392-A394 VanDerWaalsContact C-N 3.33Å; Y392-A394 PolarHBondContact O-N 3.28Å; Y392-F403 HydrophobicContact CD2-CE2 4.2Å |
| 393 | E | 76.4 | Confident | 82.2 | Confident | 63 Ų | 63 | 29.5 Ų | 29.5 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68.3 | -27.6 | 178.7 | -76.7 | -172.4 | -164.1 | 0 | 0 | 113.1 | R338 R389 K453 | R338-E393 IonicContact CZ-OE2 3.69Å; R338-E393 IonicContact NH1-OE2 2.76Å; R338-E393 PolarHBondContact NH1-OE2 3.11Å; R389-E393 HydrophobicContact CG-CG 4.37Å; R389-E393 IonicContact CZ-OE1 3.37Å; R389-E393 VanDerWaalsContact CZ-OE1 3.25Å; R389-E393 IonicContact NE-OE1 2.69Å; R389-E393 PolarHBondContact NE-OE1 3.3Å; R389-E393 IonicContact NH2-OE1 3.53Å; R389-E393 PolarHBondContact NH2-OE1 2.67Å; R389-E393 WeakPolarHBondContact O-CB 3.28Å; R389-E393 PolarHBondContact O-N 3.16Å; E393-K453 IonicContact OE2-NZ 2.79Å |
| 394 | A | 76.8 | Confident | 82.1 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 26% | 0.256 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -82.2 | -27.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M390 V391 Y392 | M390-A394 WeakPolarHBondContact O-CB 3.48Å; M390-A394 PolarHBondContact O-N 3.36Å; M390-A394 VanDerWaalsContact O-N 3.07Å; V391-A394 PolarHBondContact O-N 3.27Å; Y392-A394 VanDerWaalsContact C-N 3.33Å; Y392-A394 PolarHBondContact O-N 3.28Å |
| 395 | F | 80.2 | Confident | 81.9 | Confident | 24 Ų | 24 | 28.1 Ų | 28.1 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | trans | -142.8 | 63.9 | -174.1 | -62.6 | -76.4 | 0 | 0 | 0 | 112 | L270 R275 L276 V391 D397 N398 W399 S402 | L270-F395 HydrophobicContact CD1-CD1 4.17Å; L270-F395 HydrophobicContact CD1-CE1 3.8Å; L270-F395 HydrophobicContact CD1-CZ 4.08Å; R275-F395 HydrophobicContact CB-CZ 4.05Å; L276-F395 HydrophobicContact CB-CE2 3.92Å; L276-F395 HydrophobicContact CB-CZ 4.07Å; L276-F395 HydrophobicContact CD1-CE2 4.17Å; L276-F395 HydrophobicContact CG-CE2 4.44Å; V391-F395 PolarHBondContact O-N 3.19Å; F395-D397 VanDerWaalsContact C-N 3.28Å; F395-D397 PolarHBondContact O-N 2.98Å; F395-N398 CarbonylContact O-C 3.6Å; F395-N398 PolarHBondContact O-N 3.41Å; F395-W399 PolarHBondContact O-N 3.07Å; F395-S402 WeakPolarHBondContact CB-OG 3.49Å | ||
| 396 | P | 71.8 | Confident | 81.9 | Confident | 66 Ų | 66 | 28 Ų | 28 | 43% | 0.429 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -60.7 | -34.2 | -175.7 | 25 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 397 | D | 72.3 | Confident | 82.1 | Confident | 138 Ų | 138 | 28.6 Ų | 28.6 | 74% | 0.738 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -25.8 | -176.3 | -43.1 | -69.4 | 0 | 0 | 0 | 113.4 | F395 | F395-D397 VanDerWaalsContact C-N 3.28Å; F395-D397 PolarHBondContact O-N 2.98Å |
| 398 | N | 76.1 | Confident | 82.4 | Confident | 77 Ų | 77 | 29.3 Ų | 29.3 | 41% | 0.412 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 45.1 | -177.6 | -76 | -66.1 | 0 | 0 | 0 | 110.9 | F395 D400 S402 | F395-N398 CarbonylContact O-C 3.6Å; F395-N398 PolarHBondContact O-N 3.41Å; N398-D400 PolarHBondContact O-N 3.21Å; N398-S402 WeakPolarHBondContact O-CB 3.2Å; N398-S402 PolarHBondContact O-N 3.16Å; N398-S402 VanDerWaalsContact O-N 3.15Å; N398-S402 PolarHBondContact O-OG 3.44Å |
| 399 | W | 78.7 | Confident | 82.6 | Confident | 47 Ų | 47 | 29.4 Ų | 29.4 | 18% | 0.178 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -31.7 | 179.5 | 60.5 | -97.3 | 0 | 0 | 0 | 112.3 | A128 F131 F395 S402 F403 | A128-W399 HydrophobicContact CB-CH2 4.43Å; F131-W399 HydrophobicContact CB-CD2 4.08Å; F131-W399 HydrophobicContact CB-CE3 3.76Å; F131-W399 HydrophobicContact CB-CH2 3.67Å; F131-W399 HydrophobicContact CB-CZ2 3.95Å; F131-W399 HydrophobicContact CB-CZ3 3.57Å; F131-W399 HydrophobicContact CD2-CD2 4.49Å; F131-W399 AromaticContact CD2-CE3 3.65Å; F131-W399 HydrophobicContact CD2-CE3 3.65Å; F131-W399 AromaticContact CD2-CZ3 3.79Å; F131-W399 HydrophobicContact CD2-CZ3 3.79Å; F131-W399 HydrophobicContact CG-CD2 4.3Å; F131-W399 AromaticContact CG-CE3 3.85Å; F131-W399 HydrophobicContact CG-CE3 3.85Å; F131-W399 HydrophobicContact CG-CZ3 4.03Å; F395-W399 PolarHBondContact O-N 3.07Å; W399-S402 PolarHBondContact O-N 3.07Å; W399-F403 HydrophobicContact CB-CD2 4.49Å; W399-F403 WeakPolarHBondContact O-CB 3.12Å; W399-F403 WeakPolarHBondContact O-CD2 3.32Å; W399-F403 PolarHBondContact O-N 3.08Å |
| 400 | D | 77.8 | Confident | 83.1 | Confident | 22 Ų | 22 | 27.7 Ų | 27.7 | 12% | 0.118 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -52.6 | -177.7 | 60 | -19.6 | 0 | 0 | 0 | 113.1 | Y252 K255 N398 S402 T404 | Y252-D400 PolarHBondContact OH-OD2 3.23Å; K255-D400 IonicContact NZ-OD1 2.74Å; K255-D400 PolarHBondContact NZ-OD1 3.42Å; K255-D400 IonicContact NZ-OD2 2.74Å; K255-D400 PolarHBondContact NZ-OD2 2.77Å; N398-D400 PolarHBondContact O-N 3.21Å; D400-S402 VanDerWaalsContact C-N 3.29Å; D400-S402 PolarHBondContact O-N 3.38Å; D400-T404 WeakPolarHBondContact O-CB 3.26Å; D400-T404 PolarHBondContact O-N 3.47Å; D400-T404 PolarHBondContact O-OG1 3.37Å |
| 401 | S | 82.6 | Confident | 83.8 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -34.7 | 172.9 | -73.6 | 0 | 0 | 0 | 0 | 111.8 | N267 T404 I405 | N267-S401 WeakPolarHBondContact OD1-CB 3.4Å; N267-S401 PolarHBondContact OD1-OG 3.21Å; S401-T404 WeakPolarHBondContact O-CB 3.36Å; S401-T404 PolarHBondContact O-N 3.44Å; S401-I405 WeakPolarHBondContact O-CD1 3.38Å; S401-I405 WeakPolarHBondContact O-CG1 3.34Å; S401-I405 PolarHBondContact O-N 3.39Å |
| 402 | S | 84.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72 | -41.3 | -177.6 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | V391 F395 N398 W399 D400 I405 Y406 | V391-S402 VanDerWaalsContact CG1-C 3.44Å; V391-S402 WeakPolarHBondContact CG1-O 3.3Å; F395-S402 WeakPolarHBondContact CB-OG 3.49Å; N398-S402 WeakPolarHBondContact O-CB 3.2Å; N398-S402 PolarHBondContact O-N 3.16Å; N398-S402 VanDerWaalsContact O-N 3.15Å; N398-S402 PolarHBondContact O-OG 3.44Å; W399-S402 PolarHBondContact O-N 3.07Å; D400-S402 VanDerWaalsContact C-N 3.29Å; D400-S402 PolarHBondContact O-N 3.38Å; S402-I405 PolarHBondContact O-N 3.23Å; S402-Y406 PolarHBondContact O-N 3.46Å |
| 403 | F | 86.6 | Confident | 85 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.8 | -31.4 | 171.7 | -89.1 | -95.8 | 0 | 0 | 0 | 112.6 | Y127 F131 E388 V391 Y392 W399 Y406 H407 | Y127-F403 HydrophobicContact CD1-CD1 4.12Å; Y127-F403 HydrophobicContact CD1-CE1 4.49Å; Y127-F403 HydrophobicContact CD2-CD1 4.43Å; Y127-F403 HydrophobicContact CE1-CD1 4.32Å; Y127-F403 HydrophobicContact CG-CD1 4.19Å; F131-F403 HydrophobicContact CE1-CE2 4.41Å; F131-F403 HydrophobicContact CE1-CZ 4.38Å; F131-F403 AromaticContact CE2-CD1 3.87Å; F131-F403 HydrophobicContact CE2-CD1 3.87Å; F131-F403 AromaticContact CE2-CD2 3.92Å; F131-F403 HydrophobicContact CE2-CD2 3.92Å; F131-F403 AromaticContact CE2-CE1 3.81Å; F131-F403 HydrophobicContact CE2-CE1 3.81Å; F131-F403 AromaticContact CE2-CE2 3.87Å; F131-F403 HydrophobicContact CE2-CE2 3.87Å; F131-F403 AromaticContact CE2-CG 3.94Å; F131-F403 HydrophobicContact CE2-CG 3.94Å; F131-F403 AromaticContact CE2-CZ 3.82Å; F131-F403 HydrophobicContact CE2-CZ 3.82Å; F131-F403 HydrophobicContact CZ-CD1 4.25Å; F131-F403 HydrophobicContact CZ-CD2 4.13Å; F131-F403 AromaticContact CZ-CE1 3.71Å; F131-F403 HydrophobicContact CZ-CE1 3.71Å; F131-F403 AromaticContact CZ-CE2 3.58Å; F131-F403 HydrophobicContact CZ-CE2 3.58Å; F131-F403 HydrophobicContact CZ-CG 4.45Å; F131-F403 AromaticContact CZ-CZ 3.36Å; F131-F403 HydrophobicContact CZ-CZ 3.36Å; E388-F403 HydrophobicContact CB-CE1 3.86Å; E388-F403 HydrophobicContact CB-CZ 4.08Å; E388-F403 HydrophobicContact CG-CE1 4.01Å; E388-F403 VanDerWaalsContact O-CZ 3.27Å; E388-F403 WeakPolarHBondContact O-CZ 2.99Å; V391-F403 HydrophobicContact CB-CE2 4.26Å; V391-F403 HydrophobicContact CG1-CD2 3.71Å; V391-F403 HydrophobicContact CG1-CE2 3.8Å; V391-F403 HydrophobicContact CG1-CG 4.26Å; V391-F403 HydrophobicContact CG1-CZ 4.42Å; Y392-F403 HydrophobicContact CD2-CE2 4.2Å; W399-F403 HydrophobicContact CB-CD2 4.49Å; W399-F403 WeakPolarHBondContact O-CB 3.12Å; W399-F403 WeakPolarHBondContact O-CD2 3.32Å; W399-F403 PolarHBondContact O-N 3.08Å; F403-Y406 WeakPolarHBondContact O-CB 3.37Å; F403-Y406 PolarHBondContact O-N 3.37Å; F403-H407 PolarHBondContact O-N 3.32Å |
| 404 | T | 88 | Confident | 85.9 | Confident | 12 Ų | 12 | 26.2 Ų | 26.2 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 169.6 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | S69 D400 S401 H407 V408 | S69-T404 WeakPolarHBondContact O-CG2 3.43Å; D400-T404 WeakPolarHBondContact O-CB 3.26Å; D400-T404 PolarHBondContact O-N 3.47Å; D400-T404 PolarHBondContact O-OG1 3.37Å; S401-T404 WeakPolarHBondContact O-CB 3.36Å; S401-T404 PolarHBondContact O-N 3.44Å; T404-H407 PolarHBondContact O-N 3.16Å; T404-V408 HydrophobicContact CG2-CG2 4.47Å; T404-V408 WeakPolarHBondContact O-CB 3.33Å; T404-V408 VanDerWaalsContact O-CG2 3.22Å; T404-V408 WeakPolarHBondContact O-CG2 3.45Å; T404-V408 PolarHBondContact O-N 3.17Å |
| 405 | I | 88.4 | Confident | 86.8 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.5 | -34.6 | -180 | -64.2 | 160.2 | 0 | 0 | 0 | 111.9 | L270 I271 L276 I280 S401 S402 V408 G409 | L270-I405 HydrophobicContact CB-CD1 3.91Å; L270-I405 HydrophobicContact CD2-CD1 3.78Å; L270-I405 HydrophobicContact CG-CD1 3.78Å; I271-I405 HydrophobicContact CD1-CG1 4.31Å; I271-I405 HydrophobicContact CG1-CD1 3.76Å; I271-I405 HydrophobicContact CG1-CG1 3.88Å; I271-I405 HydrophobicContact CG1-CG2 3.98Å; L276-I405 HydrophobicContact CD2-CB 4.09Å; L276-I405 HydrophobicContact CD2-CD1 3.53Å; L276-I405 HydrophobicContact CD2-CG1 4.4Å; L276-I405 HydrophobicContact CD2-CG2 3.76Å; L276-I405 HydrophobicContact CG-CG2 4.22Å; I280-I405 HydrophobicContact CD1-CG2 4.41Å; I280-I405 HydrophobicContact CG1-CG2 4.38Å; S401-I405 WeakPolarHBondContact O-CD1 3.38Å; S401-I405 WeakPolarHBondContact O-CG1 3.34Å; S401-I405 PolarHBondContact O-N 3.39Å; S402-I405 PolarHBondContact O-N 3.23Å; I405-V408 PolarHBondContact O-N 3.23Å; I405-G409 PolarHBondContact O-N 2.9Å |
| 406 | Y | 89.8 | Confident | 87.4 | Confident | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.6 | -50.3 | 170.1 | 173.8 | -103.7 | 0 | 0 | 0 | 112.1 | F283 I286 R384 E388 V391 S402 F403 G409 C410 | F283-Y406 AromaticContact CD1-CD2 3.52Å; F283-Y406 HydrophobicContact CD1-CD2 3.52Å; F283-Y406 AromaticContact CD1-CE2 3.8Å; F283-Y406 HydrophobicContact CD1-CE2 3.8Å; F283-Y406 HydrophobicContact CD2-CD2 4.2Å; F283-Y406 AromaticContact CE1-CD2 3.61Å; F283-Y406 HydrophobicContact CE1-CD2 3.61Å; F283-Y406 HydrophobicContact CE1-CE2 4.08Å; F283-Y406 HydrophobicContact CE2-CD2 4.26Å; F283-Y406 AromaticContact CG-CD2 3.85Å; F283-Y406 HydrophobicContact CG-CD2 3.85Å; F283-Y406 HydrophobicContact CG-CE2 4.38Å; F283-Y406 AromaticContact CZ-CD2 3.98Å; F283-Y406 HydrophobicContact CZ-CD2 3.98Å; I286-Y406 HydrophobicContact CD1-CE2 4.49Å; R384-Y406 PolarHBondContact O-OH 2.85Å; E388-Y406 HydrophobicContact CG-CD1 4.25Å; E388-Y406 HydrophobicContact CG-CE1 3.54Å; E388-Y406 HydrophobicContact CG-CE2 4.47Å; V391-Y406 HydrophobicContact CG2-CD2 3.89Å; V391-Y406 HydrophobicContact CG2-CG 4.16Å; S402-Y406 PolarHBondContact O-N 3.46Å; F403-Y406 WeakPolarHBondContact O-CB 3.37Å; F403-Y406 PolarHBondContact O-N 3.37Å; Y406-G409 PolarHBondContact O-N 3.4Å; Y406-C410 PolarHBondContact O-N 2.87Å; Y406-C410 PolarHBondContact O-SG 3.04Å |
| 407 | H | 90.7 | Very high | 88.4 | Confident | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 179.9 | -178.4 | 61 | 0 | 0 | 0 | 112.3 | S69 F123 F403 T404 C410 T411 | S69-H407 PolarHBondContact OG-CD2 2.79Å; S69-H407 VanDerWaalsContact OG-CD2 3.27Å; F123-H407 AromaticContact CD2-CE1 3.09Å; F123-H407 WeakPolarHBondContact CD2-CE1 3.22Å; F123-H407 AromaticContact CD2-ND1 3.98Å; F123-H407 AromaticContact CD2-NE2 3.31Å; F123-H407 VanDerWaalsContact CD2-NE2 3.31Å; F123-H407 WeakPolarHBondContact CD2-NE2 3.33Å; F123-H407 AromaticContact CE2-CE1 3.64Å; F123-H407 AromaticContact CG-CE1 3.39Å; F123-H407 WeakPolarHBondContact CG-CE1 3.3Å; F123-H407 AromaticContact CG-ND1 3.83Å; F123-H407 AromaticContact CG-NE2 3.7Å; F403-H407 PolarHBondContact O-N 3.32Å; T404-H407 PolarHBondContact O-N 3.16Å; H407-C410 PolarHBondContact O-N 3.41Å; H407-T411 WeakPolarHBondContact CE1-CG2 3.45Å; H407-T411 WeakPolarHBondContact O-CB 3.29Å; H407-T411 PolarHBondContact O-N 3.29Å; H407-T411 PolarHBondContact O-OG1 3.01Å |
| 408 | V | 92.8 | Very high | 89.4 | Confident | 16 Ų | 16 | 17.4 Ų | 17.4 | 10% | 0.097 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60 | -47.1 | 172.3 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | A66 L70 T404 I405 C410 T411 V412 | A66-V408 HydrophobicContact CB-CG1 4.34Å; L70-V408 HydrophobicContact CD1-CG1 4.49Å; L70-V408 HydrophobicContact CD2-CG2 3.92Å; L70-V408 HydrophobicContact CG-CG2 3.86Å; T404-V408 HydrophobicContact CG2-CG2 4.47Å; T404-V408 WeakPolarHBondContact O-CB 3.33Å; T404-V408 VanDerWaalsContact O-CG2 3.22Å; T404-V408 WeakPolarHBondContact O-CG2 3.45Å; T404-V408 PolarHBondContact O-N 3.17Å; I405-V408 PolarHBondContact O-N 3.23Å; V408-C410 PolarHBondContact O-N 3.33Å; V408-T411 WeakPolarHBondContact CA-OG1 3.41Å; V408-T411 PolarHBondContact O-N 3.09Å; V408-T411 PolarHBondContact O-OG1 3.37Å; V408-V412 HydrophobicContact CG1-CG2 4.44Å; V408-V412 WeakPolarHBondContact O-CB 3.42Å; V408-V412 VanDerWaalsContact O-CG2 3.3Å; V408-V412 WeakPolarHBondContact O-CG2 3.48Å; V408-V412 PolarHBondContact O-N 3.13Å |
| 409 | G | 92.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I284 I405 Y406 G413 | I284-G409 WeakPolarHBondContact CA-O 3.11Å; I405-G409 PolarHBondContact O-N 2.9Å; Y406-G409 PolarHBondContact O-N 3.4Å; G409-G413 PolarHBondContact O-N 3.28Å |
| 410 | C | 94 | Very high | 90.6 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.034 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 177.3 | -65 | 0 | 0 | 0 | 0 | 112.6 | F283 G287 Y406 H407 V408 G413 M414 | F283-C410 WeakPolarHBondContact O-CA 3.49Å; G287-C410 VanDerWaalsContact CA-O 3.27Å; G287-C410 WeakPolarHBondContact CA-O 3.22Å; Y406-C410 PolarHBondContact O-N 2.87Å; Y406-C410 PolarHBondContact O-SG 3.04Å; H407-C410 PolarHBondContact O-N 3.41Å; V408-C410 PolarHBondContact O-N 3.33Å; C410-G413 PolarHBondContact O-N 3.46Å; C410-M414 WeakPolarHBondContact O-CG 3.43Å; C410-M414 PolarHBondContact O-N 3.07Å |
| 411 | T | 94.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.2 | -36.3 | -179 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | Y62 H407 V408 G413 M414 S415 | Y62-T411 HydrophobicContact CD1-CG2 3.97Å; Y62-T411 HydrophobicContact CE1-CG2 4.48Å; H407-T411 WeakPolarHBondContact CE1-CG2 3.45Å; H407-T411 WeakPolarHBondContact O-CB 3.29Å; H407-T411 PolarHBondContact O-N 3.29Å; H407-T411 PolarHBondContact O-OG1 3.01Å; V408-T411 WeakPolarHBondContact CA-OG1 3.41Å; V408-T411 PolarHBondContact O-N 3.09Å; V408-T411 PolarHBondContact O-OG1 3.37Å; T411-G413 VanDerWaalsContact C-N 3.32Å; T411-G413 PolarHBondContact O-N 2.86Å; T411-M414 PolarHBondContact O-N 3.08Å; T411-S415 PolarHBondContact O-N 2.93Å |
| 412 | V | 95.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 17.9 Ų | 17.9 | 32% | 0.315 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 168.1 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | A66 V408 M414 S415 I416 | A66-V412 HydrophobicContact CB-CG2 3.79Å; V408-V412 HydrophobicContact CG1-CG2 4.44Å; V408-V412 WeakPolarHBondContact O-CB 3.42Å; V408-V412 VanDerWaalsContact O-CG2 3.3Å; V408-V412 WeakPolarHBondContact O-CG2 3.48Å; V408-V412 PolarHBondContact O-N 3.13Å; V412-M414 VanDerWaalsContact C-N 3.35Å; V412-M414 PolarHBondContact O-N 3.44Å; V412-S415 PolarHBondContact O-N 2.87Å; V412-I416 HydrophobicContact CG1-CD1 3.85Å; V412-I416 WeakPolarHBondContact O-CG1 3.23Å; V412-I416 PolarHBondContact O-N 3.15Å |
| 413 | G | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I284 I288 G409 C410 T411 I416 G417 | I284-G413 WeakPolarHBondContact O-CA 3.32Å; I288-G413 WeakPolarHBondContact CG1-O 3.38Å; I288-G413 PolarHBondContact N-O 2.99Å; G409-G413 PolarHBondContact O-N 3.28Å; C410-G413 PolarHBondContact O-N 3.46Å; T411-G413 VanDerWaalsContact C-N 3.32Å; T411-G413 PolarHBondContact O-N 2.86Å; G413-I416 PolarHBondContact O-N 3.36Å; G413-G417 PolarHBondContact O-N 3.3Å |
| 414 | M | 95.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 25.6 Ų | 25.6 | 7% | 0.069 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 175 | -67.1 | 177.5 | -170.2 | 0 | 0 | 112.1 | Y62 E290 V291 C410 T411 V412 I416 G417 F418 | Y62-M414 HydrophobicContact CD1-CB 4.08Å; Y62-M414 HydrophobicContact CD1-SD 4.04Å; Y62-M414 HydrophobicContact CD2-CB 3.99Å; Y62-M414 HydrophobicContact CE1-CB 4.38Å; Y62-M414 HydrophobicContact CE1-SD 3.56Å; Y62-M414 VanDerWaalsContact CE1-SD 3.56Å; Y62-M414 HydrophobicContact CE2-CB 4.31Å; Y62-M414 HydrophobicContact CG-CB 3.88Å; E290-M414 HydrophobicContact CB-CE 4.28Å; E290-M414 HydrophobicContact CG-CE 4.5Å; E290-M414 WeakPolarHBondContact OE2-CE 3.45Å; V291-M414 HydrophobicContact CG2-CB 3.73Å; V291-M414 HydrophobicContact CG2-CG 3.86Å; C410-M414 WeakPolarHBondContact O-CG 3.43Å; C410-M414 PolarHBondContact O-N 3.07Å; T411-M414 PolarHBondContact O-N 3.08Å; V412-M414 VanDerWaalsContact C-N 3.35Å; V412-M414 PolarHBondContact O-N 3.44Å; M414-I416 PolarHBondContact O-N 2.92Å; M414-G417 PolarHBondContact O-N 2.83Å; M414-F418 WeakPolarHBondContact O-CD2 3.43Å; M414-F418 PolarHBondContact O-N 2.91Å |
| 415 | S | 96.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.8 | 162.9 | 0 | 0 | 0 | 0 | 111.9 | S59 V63 T411 V412 G417 F418 L419 | S59-S415 PolarHBondContact O-OG 3.22Å; S59-S415 PolarHBondContact OG-O 2.74Å; S59-S415 PolarHBondContact OG-OG 3.5Å; V63-S415 WeakPolarHBondContact CG2-OG 3.24Å; T411-S415 PolarHBondContact O-N 2.93Å; V412-S415 PolarHBondContact O-N 2.87Å; S415-G417 VanDerWaalsContact C-N 3.32Å; S415-G417 PolarHBondContact O-N 3.4Å; S415-F418 PolarHBondContact O-N 3.34Å; S415-L419 WeakPolarHBondContact O-CB 3.16Å; S415-L419 PolarHBondContact O-N 3.45Å |
| 416 | I | 94.1 | Very high | 90.4 | Very high | 61 Ų | 61 | 28.4 Ų | 28.4 | 31% | 0.313 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 177 | -68.6 | 165.3 | 0 | 0 | 0 | 110.3 | I284 I288 V412 G413 M414 L419 M420 | I284-I416 HydrophobicContact CG2-CD1 4.2Å; I288-I416 HydrophobicContact CD1-CG2 4.06Å; I288-I416 HydrophobicContact CG1-CB 4.44Å; I288-I416 HydrophobicContact CG1-CG2 4.33Å; V412-I416 HydrophobicContact CG1-CD1 3.85Å; V412-I416 WeakPolarHBondContact O-CG1 3.23Å; V412-I416 PolarHBondContact O-N 3.15Å; G413-I416 PolarHBondContact O-N 3.36Å; M414-I416 PolarHBondContact O-N 2.92Å; I416-L419 PolarHBondContact O-N 3.44Å; I416-M420 HydrophobicContact CG2-CG 4.3Å; I416-M420 HydrophobicContact CG2-SD 3.83Å; I416-M420 WeakPolarHBondContact O-CB 3.28Å; I416-M420 VanDerWaalsContact O-CG 3.28Å; I416-M420 WeakPolarHBondContact O-CG 3.3Å; I416-M420 PolarHBondContact O-N 3.32Å |
| 417 | G | 92.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.7 | -51.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G413 M414 S415 L419 M420 K421 | G413-G417 PolarHBondContact O-N 3.3Å; M414-G417 PolarHBondContact O-N 2.83Å; S415-G417 VanDerWaalsContact C-N 3.32Å; S415-G417 PolarHBondContact O-N 3.4Å; G417-L419 VanDerWaalsContact C-N 3.32Å; G417-L419 PolarHBondContact O-N 3.33Å; G417-M420 PolarHBondContact O-N 3.21Å; G417-K421 PolarHBondContact O-N 2.99Å |
| 418 | F | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -31 | 179 | -73.3 | -63.8 | 0 | 0 | 0 | 112.9 | R41 S55 L58 Y62 V291 A295 M414 S415 | R41-F418 HydrophobicContact CG-CZ 4Å; S55-F418 WeakPolarHBondContact CB-O 3.24Å; L58-F418 HydrophobicContact CB-CB 4.3Å; L58-F418 HydrophobicContact CB-CD1 4.04Å; L58-F418 HydrophobicContact CB-CD2 3.99Å; L58-F418 HydrophobicContact CB-CE1 4.41Å; L58-F418 HydrophobicContact CB-CE2 4.37Å; L58-F418 HydrophobicContact CB-CG 3.84Å; L58-F418 HydrophobicContact CD1-CD1 3.96Å; L58-F418 HydrophobicContact CD1-CE1 3.73Å; L58-F418 HydrophobicContact CD1-CZ 4.14Å; Y62-F418 AromaticContact CD2-CD2 3.79Å; Y62-F418 HydrophobicContact CD2-CD2 3.79Å; Y62-F418 AromaticContact CD2-CE2 3.8Å; Y62-F418 HydrophobicContact CD2-CE2 3.8Å; Y62-F418 AromaticContact CE2-CD2 3.97Å; Y62-F418 HydrophobicContact CE2-CD2 3.97Å; Y62-F418 AromaticContact CE2-CE2 3.48Å; Y62-F418 HydrophobicContact CE2-CE2 3.48Å; Y62-F418 VanDerWaalsContact CE2-CE2 3.48Å; Y62-F418 HydrophobicContact CE2-CZ 4.48Å; V291-F418 HydrophobicContact CB-CD2 4.5Å; V291-F418 HydrophobicContact CB-CE2 4.21Å; V291-F418 HydrophobicContact CB-CZ 4.29Å; V291-F418 HydrophobicContact CG1-CD1 3.67Å; V291-F418 HydrophobicContact CG1-CD2 3.89Å; V291-F418 HydrophobicContact CG1-CE1 3.59Å; V291-F418 HydrophobicContact CG1-CE2 3.81Å; V291-F418 HydrophobicContact CG1-CG 3.8Å; V291-F418 HydrophobicContact CG1-CZ 3.67Å; V291-F418 HydrophobicContact CG2-CD2 3.76Å; V291-F418 HydrophobicContact CG2-CE2 3.32Å; V291-F418 HydrophobicContact CG2-CZ 3.78Å; A295-F418 HydrophobicContact CB-CE1 4.1Å; M414-F418 WeakPolarHBondContact O-CD2 3.43Å; M414-F418 PolarHBondContact O-N 2.91Å; S415-F418 PolarHBondContact O-N 3.34Å |
| 419 | L | 91.3 | Very high | 90.1 | Very high | 92 Ų | 92 | 35.3 Ų | 35.3 | 48% | 0.482 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.5 | -34.1 | 174.1 | -172.3 | 62.5 | 0 | 0 | 0 | 112.3 | S415 I416 G417 P422 F423 | S415-L419 WeakPolarHBondContact O-CB 3.16Å; S415-L419 PolarHBondContact O-N 3.45Å; I416-L419 PolarHBondContact O-N 3.44Å; G417-L419 VanDerWaalsContact C-N 3.32Å; G417-L419 PolarHBondContact O-N 3.33Å; L419-P422 WeakPolarHBondContact O-CD 3.29Å; L419-F423 WeakPolarHBondContact O-CD2 3.28Å; L419-F423 VanDerWaalsContact O-CE2 3.3Å; L419-F423 WeakPolarHBondContact O-CE2 3.27Å |
| 420 | M | 88.9 | Confident | 90 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 30% | 0.3 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74.9 | -28.7 | 176 | -75.8 | 179.2 | 66.3 | 0 | 0 | 113.5 | I416 G417 F423 T432 | I416-M420 HydrophobicContact CG2-CG 4.3Å; I416-M420 HydrophobicContact CG2-SD 3.83Å; I416-M420 WeakPolarHBondContact O-CB 3.28Å; I416-M420 VanDerWaalsContact O-CG 3.28Å; I416-M420 WeakPolarHBondContact O-CG 3.3Å; I416-M420 PolarHBondContact O-N 3.32Å; G417-M420 PolarHBondContact O-N 3.21Å; M420-F423 PolarHBondContact O-N 3.44Å; M420-T432 HydrophobicContact CE-CG2 3.89Å |
| 421 | K | 85.9 | Confident | 89.8 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -52.2 | -177.3 | 177.7 | 177 | -177.4 | -75.7 | 0 | 114.5 | S45 E203 A295 G417 F423 K429 | S45-K421 WeakPolarHBondContact O-CE 3.42Å; S45-K421 PolarHBondContact O-NZ 3.3Å; E203-K421 IonicContact OE1-NZ 3.96Å; E203-K421 PolarHBondContact OE1-NZ 3.02Å; E203-K421 IonicContact OE2-NZ 2.67Å; E203-K421 PolarHBondContact OE2-NZ 2.97Å; A295-K421 HydrophobicContact CB-CD 3.99Å; G417-K421 PolarHBondContact O-N 2.99Å; K421-F423 PolarHBondContact O-N 3.2Å; K421-F423 VanDerWaalsContact O-N 3.15Å; K421-K429 WeakPolarHBondContact O-CE 3.3Å; K421-K429 PolarHBondContact O-NZ 2.92Å |
| 422 | P | 82 | Confident | 89.4 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.104 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -0.7 | -178.3 | 28.2 | -36.8 | 0 | 0 | 0 | 115.4 | N52 L419 | N52-P422 HydrophobicContact CB-CB 3.8Å; N52-P422 HydrophobicContact CB-CG 4.14Å; N52-P422 VanDerWaalsContact ND2-CB 3.33Å; N52-P422 WeakPolarHBondContact ND2-CB 3.49Å; L419-P422 WeakPolarHBondContact O-CD 3.29Å |
| 423 | F | 82.6 | Confident | 89.1 | Confident | 134 Ų | 134 | 40.4 Ų | 40.4 | 59% | 0.588 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -114.3 | 132.8 | -174.1 | -58.8 | -66.5 | 0 | 0 | 0 | 113.2 | L419 M420 K421 K429 | L419-F423 WeakPolarHBondContact O-CD2 3.28Å; L419-F423 VanDerWaalsContact O-CE2 3.3Å; L419-F423 WeakPolarHBondContact O-CE2 3.27Å; M420-F423 PolarHBondContact O-N 3.44Å; K421-F423 PolarHBondContact O-N 3.2Å; K421-F423 VanDerWaalsContact O-N 3.15Å; F423-K429 VanDerWaalsContact O-CE 3.29Å; F423-K429 WeakPolarHBondContact O-CE 3.25Å |
| 424 | G | 80.6 | Confident | 88.7 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 32% | 0.32 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 74.2 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 425 | K | 85.5 | Confident | 88.3 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 32% | 0.317 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -74.9 | 151.4 | 169.9 | -63.6 | 179.6 | 178.5 | -178.3 | 0 | 110.9 | Y201 Q202 E427 Y428 | Y201-K425 WeakPolarHBondContact O-CA 3.33Å; Q202-K425 HydrophobicContact CB-CG 4.31Å; K425-E427 HydrophobicContact CB-CB 4.45Å; K425-E427 PolarHBondContact O-N 2.69Å; K425-Y428 HydrophobicContact CB-CD2 3.95Å; K425-Y428 HydrophobicContact CB-CE2 4.03Å; K425-Y428 HydrophobicContact CD-CE2 4.32Å; K425-Y428 HydrophobicContact CG-CE2 4.22Å; K425-Y428 PolarHBondContact O-N 3.15Å; K425-Y428 VanDerWaalsContact O-N 3.08Å |
| 426 | T | 86.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.3 | -33 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | Y201 A300 Y301 Y428 K429 I430 | Y201-T426 PolarHBondContact O-N 3.42Å; Y201-T426 PolarHBondContact O-OG1 3.05Å; Y201-T426 VanDerWaalsContact O-OG1 3.12Å; A300-T426 HydrophobicContact CB-CG2 3.98Å; Y301-T426 HydrophobicContact CE2-CG2 4.15Å; T426-Y428 PolarHBondContact O-N 3.06Å; T426-K429 WeakPolarHBondContact O-CA 3.05Å; T426-K429 WeakPolarHBondContact O-CB 2.99Å; T426-K429 PolarHBondContact O-N 3.46Å; T426-I430 HydrophobicContact CG2-CD1 4.4Å; T426-I430 WeakPolarHBondContact O-CG1 3.36Å; T426-I430 PolarHBondContact O-N 2.89Å |
| 427 | E | 88 | Confident | 87.2 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -51.8 | -46.1 | 173.4 | -154.8 | -169.6 | 147 | 0 | 0 | 113.5 | R199 H200 K425 K429 I430 Y431 | R199-E427 HydrophobicContact CB-CB 4.39Å; R199-E427 HydrophobicContact CB-CG 4.46Å; R199-E427 PolarHBondContact O-N 3.2Å; H200-E427 IonicContact CE1-OE2 3.75Å; H200-E427 IonicContact ND1-OE2 3.92Å; K425-E427 HydrophobicContact CB-CB 4.45Å; K425-E427 PolarHBondContact O-N 2.69Å; E427-K429 VanDerWaalsContact C-N 3.27Å; E427-K429 PolarHBondContact O-N 3.03Å; E427-I430 WeakPolarHBondContact O-CB 3.42Å; E427-I430 PolarHBondContact O-N 3.28Å; E427-Y431 HydrophobicContact CG-CD2 4.47Å; E427-Y431 HydrophobicContact CG-CE2 3.67Å; E427-Y431 VanDerWaalsContact O-CD2 3.23Å; E427-Y431 WeakPolarHBondContact O-CD2 3.44Å; E427-Y431 PolarHBondContact O-N 3.07Å; E427-Y431 WeakPolarHBondContact OE1-CE2 3.43Å; E427-Y431 PolarHBondContact OE1-OH 2.96Å |
| 428 | Y | 89.9 | Confident | 86.7 | Confident | 135 Ų | 135 | 49.4 Ų | 49.4 | 53% | 0.529 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.3 | -30.3 | 178 | -56.3 | -58.7 | 0 | 0 | 0 | 112.3 | K425 T426 Y431 T432 | K425-Y428 HydrophobicContact CB-CD2 3.95Å; K425-Y428 HydrophobicContact CB-CE2 4.03Å; K425-Y428 HydrophobicContact CD-CE2 4.32Å; K425-Y428 HydrophobicContact CG-CE2 4.22Å; K425-Y428 PolarHBondContact O-N 3.15Å; K425-Y428 VanDerWaalsContact O-N 3.08Å; T426-Y428 PolarHBondContact O-N 3.06Å; Y428-Y431 HydrophobicContact CD1-CD2 4.35Å; Y428-T432 PolarHBondContact O-N 3.45Å; Y428-T432 PolarHBondContact O-OG1 2.68Å |
| 429 | K | 90.1 | Very high | 86 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.9 | -39.7 | 176.1 | -55.3 | 177.1 | -172.2 | 166.6 | 0 | 110.8 | F292 D296 K421 F423 T426 E427 T432 V433 | F292-K429 HydrophobicContact CD2-CB 4.1Å; F292-K429 HydrophobicContact CE2-CB 3.59Å; D296-K429 HydrophobicContact CB-CD 4.44Å; D296-K429 WeakPolarHBondContact OD1-CD 3.41Å; D296-K429 WeakPolarHBondContact OD1-CE 3.3Å; D296-K429 IonicContact OD1-NZ 3.93Å; D296-K429 PolarHBondContact OD1-NZ 3.43Å; K421-K429 WeakPolarHBondContact O-CE 3.3Å; K421-K429 PolarHBondContact O-NZ 2.92Å; F423-K429 VanDerWaalsContact O-CE 3.29Å; F423-K429 WeakPolarHBondContact O-CE 3.25Å; T426-K429 WeakPolarHBondContact O-CA 3.05Å; T426-K429 WeakPolarHBondContact O-CB 2.99Å; T426-K429 PolarHBondContact O-N 3.46Å; E427-K429 VanDerWaalsContact C-N 3.27Å; E427-K429 PolarHBondContact O-N 3.03Å; K429-T432 PolarHBondContact O-N 2.86Å; K429-V433 WeakPolarHBondContact O-CG2 3.4Å; K429-V433 PolarHBondContact O-N 3.2Å |
| 430 | I | 89.9 | Confident | 85.1 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 171 | -64.8 | 168.2 | 0 | 0 | 0 | 110.3 | R199 F292 L353 M356 W357 T426 E427 T432 V433 G434 | R199-I430 HydrophobicContact CB-CD1 4.3Å; F292-I430 HydrophobicContact CZ-CG1 3.73Å; L353-I430 HydrophobicContact CD2-CG2 4.19Å; M356-I430 HydrophobicContact CB-CD1 4.44Å; W357-I430 HydrophobicContact CB-CG2 4.42Å; T426-I430 HydrophobicContact CG2-CD1 4.4Å; T426-I430 WeakPolarHBondContact O-CG1 3.36Å; T426-I430 PolarHBondContact O-N 2.89Å; E427-I430 WeakPolarHBondContact O-CB 3.42Å; E427-I430 PolarHBondContact O-N 3.28Å; I430-T432 VanDerWaalsContact C-N 3.3Å; I430-T432 PolarHBondContact O-N 3.47Å; I430-V433 PolarHBondContact O-N 3.06Å; I430-G434 PolarHBondContact O-N 2.83Å |
| 431 | Y | 89.3 | Confident | 84.1 | Confident | 107 Ų | 107 | 46.3 Ų | 46.3 | 42% | 0.42 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 175.6 | -61.4 | -46.6 | 0 | 0 | 0 | 112.3 | W357 E427 Y428 G434 F435 | W357-Y431 AromaticContact CD1-CE1 3.96Å; W357-Y431 AromaticContact NE1-CE1 3.63Å; W357-Y431 AromaticContact NE1-CZ 3.5Å; W357-Y431 PolarHBondContact NE1-OH 3.4Å; E427-Y431 HydrophobicContact CG-CD2 4.47Å; E427-Y431 HydrophobicContact CG-CE2 3.67Å; E427-Y431 VanDerWaalsContact O-CD2 3.23Å; E427-Y431 WeakPolarHBondContact O-CD2 3.44Å; E427-Y431 PolarHBondContact O-N 3.07Å; E427-Y431 WeakPolarHBondContact OE1-CE2 3.43Å; E427-Y431 PolarHBondContact OE1-OH 2.96Å; Y428-Y431 HydrophobicContact CD1-CD2 4.35Å; Y431-G434 PolarHBondContact O-N 2.77Å; Y431-F435 WeakPolarHBondContact O-CB 3.09Å; Y431-F435 PolarHBondContact O-N 2.84Å |
| 432 | T | 87.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66 | -46.3 | 178.4 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | M420 Y428 K429 I430 G434 F435 V436 | M420-T432 HydrophobicContact CE-CG2 3.89Å; Y428-T432 PolarHBondContact O-N 3.45Å; Y428-T432 PolarHBondContact O-OG1 2.68Å; K429-T432 PolarHBondContact O-N 2.86Å; I430-T432 VanDerWaalsContact C-N 3.3Å; I430-T432 PolarHBondContact O-N 3.47Å; T432-G434 VanDerWaalsContact C-N 3.33Å; T432-G434 PolarHBondContact O-N 3.2Å; T432-F435 PolarHBondContact O-N 3.03Å; T432-V436 HydrophobicContact CG2-CG2 4.42Å; T432-V436 WeakPolarHBondContact O-CB 3.31Å; T432-V436 VanDerWaalsContact O-CG2 3.3Å; T432-V436 WeakPolarHBondContact O-CG2 3.4Å; T432-V436 PolarHBondContact O-N 3.44Å |
| 433 | V | 88.6 | Confident | 81.9 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 176.6 | 177 | 0 | 0 | 0 | 0 | 110.9 | I288 N289 F292 L353 W376 K429 I430 L437 | I288-V433 HydrophobicContact CG2-CG2 4.09Å; N289-V433 WeakPolarHBondContact OD1-CG1 3.01Å; F292-V433 HydrophobicContact CB-CG2 4.14Å; F292-V433 HydrophobicContact CD1-CG2 4.21Å; F292-V433 HydrophobicContact CD2-CG2 4.12Å; F292-V433 HydrophobicContact CG-CG2 3.87Å; L353-V433 HydrophobicContact CD1-CG1 4.16Å; L353-V433 HydrophobicContact CD2-CB 4.31Å; L353-V433 HydrophobicContact CD2-CG1 4.08Å; W376-V433 HydrophobicContact CH2-CG1 4.42Å; K429-V433 WeakPolarHBondContact O-CG2 3.4Å; K429-V433 PolarHBondContact O-N 3.2Å; I430-V433 PolarHBondContact O-N 3.06Å; V433-L437 WeakPolarHBondContact O-CB 3.41Å; V433-L437 PolarHBondContact O-N 2.93Å |
| 434 | G | 87.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I430 Y431 T432 L437 I438 | I430-G434 PolarHBondContact O-N 2.83Å; Y431-G434 PolarHBondContact O-N 2.77Å; T432-G434 VanDerWaalsContact C-N 3.33Å; T432-G434 PolarHBondContact O-N 3.2Å; G434-L437 WeakPolarHBondContact O-CB 3.2Å; G434-L437 PolarHBondContact O-N 3.06Å; G434-I438 WeakPolarHBondContact O-CG1 3.38Å; G434-I438 PolarHBondContact O-N 3.45Å; G434-I438 VanDerWaalsContact O-N 3.13Å |
| 435 | F | 85.8 | Confident | 79.2 | Confident | 143 Ų | 143 | 47.6 Ų | 47.6 | 63% | 0.627 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.8 | -45.7 | 176.7 | -179.2 | -95 | 0 | 0 | 0 | 111.8 | Y431 T432 L437 I438 D439 | Y431-F435 WeakPolarHBondContact O-CB 3.09Å; Y431-F435 PolarHBondContact O-N 2.84Å; T432-F435 PolarHBondContact O-N 3.03Å; F435-L437 VanDerWaalsContact C-N 3.28Å; F435-L437 PolarHBondContact O-N 2.96Å; F435-I438 PolarHBondContact O-N 3.32Å; F435-I438 VanDerWaalsContact O-N 3.17Å; F435-D439 WeakPolarHBondContact O-CB 3.36Å; F435-D439 PolarHBondContact O-N 2.91Å |
| 436 | V | 83.7 | Confident | 77.5 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.5 | -27.2 | 179 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | C285 T432 A440 | C285-V436 HydrophobicContact CB-CG1 3.65Å; T432-V436 HydrophobicContact CG2-CG2 4.42Å; T432-V436 WeakPolarHBondContact O-CB 3.31Å; T432-V436 VanDerWaalsContact O-CG2 3.3Å; T432-V436 WeakPolarHBondContact O-CG2 3.4Å; T432-V436 PolarHBondContact O-N 3.44Å; V436-A440 WeakPolarHBondContact O-CB 3.44Å; V436-A440 PolarHBondContact O-N 3.01Å |
| 437 | L | 83.7 | Confident | 75.7 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 169.8 | -170.9 | 77.7 | 0 | 0 | 0 | 112.1 | F346 Q349 A350 L353 W383 V433 G434 F435 A440 S441 | F346-L437 HydrophobicContact CD2-CD2 3.95Å; F346-L437 HydrophobicContact CD2-CG 3.89Å; F346-L437 HydrophobicContact CE2-CD2 3.99Å; F346-L437 HydrophobicContact CE2-CG 3.96Å; Q349-L437 HydrophobicContact CB-CD1 4.19Å; Q349-L437 HydrophobicContact CB-CD2 3.94Å; Q349-L437 HydrophobicContact CG-CD1 3.74Å; Q349-L437 HydrophobicContact CG-CD2 3.8Å; Q349-L437 HydrophobicContact CG-CG 4.41Å; A350-L437 HydrophobicContact CB-CD2 4.49Å; L353-L437 HydrophobicContact CD1-CD2 4.49Å; W383-L437 HydrophobicContact CZ2-CD1 3.89Å; V433-L437 WeakPolarHBondContact O-CB 3.41Å; V433-L437 PolarHBondContact O-N 2.93Å; G434-L437 WeakPolarHBondContact O-CB 3.2Å; G434-L437 PolarHBondContact O-N 3.06Å; F435-L437 VanDerWaalsContact C-N 3.28Å; F435-L437 PolarHBondContact O-N 2.96Å; L437-A440 PolarHBondContact O-N 3.38Å; L437-S441 PolarHBondContact O-N 3.02Å; L437-S441 VanDerWaalsContact O-N 3.07Å |
| 438 | I | 82.2 | Confident | 74.1 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 42% | 0.421 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | 178.7 | -65.6 | 163.5 | 0 | 0 | 0 | 110.5 | F346 G434 F435 A440 S441 D442 | F346-I438 HydrophobicContact CE2-CG1 4.41Å; F346-I438 HydrophobicContact CZ-CG1 4.32Å; G434-I438 WeakPolarHBondContact O-CG1 3.38Å; G434-I438 PolarHBondContact O-N 3.45Å; G434-I438 VanDerWaalsContact O-N 3.13Å; F435-I438 PolarHBondContact O-N 3.32Å; F435-I438 VanDerWaalsContact O-N 3.17Å; I438-A440 PolarHBondContact O-N 3.06Å; I438-S441 PolarHBondContact O-N 2.92Å; I438-S441 VanDerWaalsContact O-N 3.08Å; I438-S441 PolarHBondContact O-OG 3.41Å; I438-D442 WeakPolarHBondContact O-CB 3.29Å; I438-D442 PolarHBondContact O-N 3.42Å |
| 439 | D | 77.4 | Confident | 72.4 | Confident | 59 Ų | 59 | 48.3 Ų | 48.3 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.8 | -37.4 | 172.8 | 178.9 | 71.3 | 0 | 0 | 0 | 111.3 | F435 N443 | F435-D439 WeakPolarHBondContact O-CB 3.36Å; F435-D439 PolarHBondContact O-N 2.91Å; D439-N443 WeakPolarHBondContact O-CB 3.42Å; D439-N443 PolarHBondContact O-N 3.17Å; D439-N443 PolarHBondContact O-ND2 2.92Å; D439-N443 PolarHBondContact OD1-ND2 3.36Å; D439-N443 PolarHBondContact OD2-ND2 2.93Å |
| 440 | A | 71.2 | Confident | 70.4 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.5 | -24.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L282 C285 V436 L437 I438 | L282-A440 HydrophobicContact CB-CB 4.46Å; L282-A440 HydrophobicContact CD1-CB 3.99Å; C285-A440 HydrophobicContact CB-CB 4.39Å; V436-A440 WeakPolarHBondContact O-CB 3.44Å; V436-A440 PolarHBondContact O-N 3.01Å; L437-A440 PolarHBondContact O-N 3.38Å; I438-A440 PolarHBondContact O-N 3.06Å |
| 441 | S | 69.2 | Low | 68.7 | Low | 15 Ų | 15 | 59.4 Ų | 59.4 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -82.1 | -39.3 | 170.7 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | F346 L437 I438 | F346-S441 WeakPolarHBondContact CE2-OG 3.33Å; L437-S441 PolarHBondContact O-N 3.02Å; L437-S441 VanDerWaalsContact O-N 3.07Å; I438-S441 PolarHBondContact O-N 2.92Å; I438-S441 VanDerWaalsContact O-N 3.08Å; I438-S441 PolarHBondContact O-OG 3.41Å |
| 442 | D | 65.4 | Low | 67.1 | Low | 119 Ų | 119 | 57.2 Ų | 57.2 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -81.6 | -25.4 | -174.3 | -71.9 | 3.5 | 0 | 0 | 0 | 112.7 | I438 G444 | I438-D442 WeakPolarHBondContact O-CB 3.29Å; I438-D442 PolarHBondContact O-N 3.42Å; D442-G444 PolarHBondContact O-N 3.23Å |
| 443 | N | 55.5 | Low | 65.4 | Low | 53 Ų | 53 | 59.4 Ų | 59.4 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -67 | 74.9 | 176.5 | -95.9 | -58.9 | 0 | 0 | 0 | 113 | D439 V445 | D439-N443 WeakPolarHBondContact O-CB 3.42Å; D439-N443 PolarHBondContact O-N 3.17Å; D439-N443 PolarHBondContact O-ND2 2.92Å; D439-N443 PolarHBondContact OD1-ND2 3.36Å; D439-N443 PolarHBondContact OD2-ND2 2.93Å; N443-V445 WeakPolarHBondContact O-CG2 3.36Å; N443-V445 PolarHBondContact O-N 3.4Å |
| 444 | G | 51.2 | Low | 63.3 | Low | 21 Ų | 21 | 61.1 Ų | 61.1 | 22% | 0.216 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 50.4 | 15.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | R278 D442 K448 | R278-G444 PolarHBondContact NH1-O 3.38Å; D442-G444 PolarHBondContact O-N 3.23Å; G444-K448 VanDerWaalsContact O-CB 3.25Å; G444-K448 WeakPolarHBondContact O-CB 3.4Å; G444-K448 VanDerWaalsContact O-CG 3.24Å; G444-K448 WeakPolarHBondContact O-CG 3.37Å |
| 445 | V | 54.5 | Low | 61.5 | Low | 17 Ų | 17 | 62.4 Ų | 62.4 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -111.5 | -55.7 | -179.4 | 172.8 | 0 | 0 | 0 | 0 | 107.7 | R278 L279 M390 N443 V447 K448 L449 | R278-V445 HydrophobicContact CB-CG2 3.67Å; L279-V445 HydrophobicContact CD2-CB 4.44Å; L279-V445 HydrophobicContact CD2-CG1 3.68Å; L279-V445 HydrophobicContact CD2-CG2 3.94Å; L279-V445 HydrophobicContact CG-CG2 4.23Å; M390-V445 HydrophobicContact CE-CG1 3.42Å; M390-V445 VanDerWaalsContact CE-CG1 3.42Å; N443-V445 WeakPolarHBondContact O-CG2 3.36Å; N443-V445 PolarHBondContact O-N 3.4Å; V445-V447 PolarHBondContact O-N 3.14Å; V445-K448 PolarHBondContact O-N 3.33Å; V445-L449 HydrophobicContact CG1-CD2 4.41Å; V445-L449 WeakPolarHBondContact O-CA 3.45Å; V445-L449 WeakPolarHBondContact O-CB 3.37Å; V445-L449 PolarHBondContact O-N 3.03Å |
| 446 | L | 50 | Low | 59.9 | Low | 34 Ų | 34 | 61.2 Ų | 61.2 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -45.8 | 172.1 | -95.6 | 151 | 0 | 0 | 0 | 111.7 | M339 L342 F450 | M339-L446 HydrophobicContact CE-CD2 4.01Å; M339-L446 VanDerWaalsContact CE-O 3.28Å; M339-L446 WeakPolarHBondContact CE-O 3.25Å; M339-L446 HydrophobicContact SD-CD2 3.8Å; L342-L446 HydrophobicContact CB-CD2 4.31Å; L342-L446 HydrophobicContact CD1-CD1 4.5Å; L342-L446 HydrophobicContact CD1-CD2 3.8Å; L342-L446 HydrophobicContact CD1-CG 4.13Å; L446-F450 WeakPolarHBondContact O-CB 3.47Å; L446-F450 PolarHBondContact O-N 3.46Å |
| 447 | V | 48.6 | Very low | 57.9 | Low | 84 Ų | 84 | 63.3 Ų | 63.3 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -59.3 | 177 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | V445 L449 F450 E451 | V445-V447 PolarHBondContact O-N 3.14Å; V447-L449 VanDerWaalsContact C-N 3.29Å; V447-L449 PolarHBondContact O-N 3.12Å; V447-F450 CarbonylContact O-C 3.59Å; V447-F450 WeakPolarHBondContact O-CA 3.35Å; V447-F450 VanDerWaalsContact O-CB 3.23Å; V447-F450 WeakPolarHBondContact O-CB 3.38Å; V447-F450 PolarHBondContact O-N 2.93Å; V447-E451 HydrophobicContact CG1-CG 4.45Å; V447-E451 PolarHBondContact O-N 3.04Å |
| 448 | K | 56.1 | Low | 55.8 | Low | 99 Ų | 99 | 68.4 Ų | 68.4 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.9 | -23.9 | -174.4 | -60.4 | -160.4 | 160.4 | -173.2 | 0 | 114.2 | G444 V445 F450 E451 D452 | G444-K448 VanDerWaalsContact O-CB 3.25Å; G444-K448 WeakPolarHBondContact O-CB 3.4Å; G444-K448 VanDerWaalsContact O-CG 3.24Å; G444-K448 WeakPolarHBondContact O-CG 3.37Å; V445-K448 PolarHBondContact O-N 3.33Å; K448-F450 VanDerWaalsContact C-N 3.27Å; K448-E451 WeakPolarHBondContact CG-OE2 3.24Å; K448-E451 PolarHBondContact O-N 3.01Å; K448-D452 WeakPolarHBondContact O-CB 3.43Å; K448-D452 PolarHBondContact O-N 2.95Å |
| 449 | L | 53.2 | Low | 54.2 | Low | 44 Ų | 44 | 70.1 Ų | 70.1 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -81.6 | -10.3 | 173.1 | -162.4 | 65.2 | 0 | 0 | 0 | 112 | R338 V445 V447 K453 | R338-L449 VanDerWaalsContact CZ-CD2 3.4Å; R338-L449 VanDerWaalsContact NH2-CD2 3.29Å; V445-L449 HydrophobicContact CG1-CD2 4.41Å; V445-L449 WeakPolarHBondContact O-CA 3.45Å; V445-L449 WeakPolarHBondContact O-CB 3.37Å; V445-L449 PolarHBondContact O-N 3.03Å; V447-L449 VanDerWaalsContact C-N 3.29Å; V447-L449 PolarHBondContact O-N 3.12Å; L449-K453 WeakPolarHBondContact O-CB 3.43Å |
| 450 | F | 49.3 | Very low | 52.6 | Low | 143 Ų | 143 | 73 Ų | 73 | 63% | 0.627 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -86.1 | -42 | 163.2 | -166.6 | -85.6 | 0 | 0 | 0 | 110.3 | M339 L446 V447 K448 K453 A454 | M339-F450 HydrophobicContact CE-CB 4.29Å; L446-F450 WeakPolarHBondContact O-CB 3.47Å; L446-F450 PolarHBondContact O-N 3.46Å; V447-F450 CarbonylContact O-C 3.59Å; V447-F450 WeakPolarHBondContact O-CA 3.35Å; V447-F450 VanDerWaalsContact O-CB 3.23Å; V447-F450 WeakPolarHBondContact O-CB 3.38Å; V447-F450 PolarHBondContact O-N 2.93Å; K448-F450 VanDerWaalsContact C-N 3.27Å; F450-K453 PolarHBondContact O-N 3.19Å; F450-A454 VanDerWaalsContact O-CB 3.27Å; F450-A454 WeakPolarHBondContact O-CB 3.5Å; F450-A454 PolarHBondContact O-N 3.42Å |
| 451 | E | 53.4 | Low | 50.9 | Low | 104 Ų | 104 | 77.8 Ų | 77.8 | 49% | 0.486 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.1 | -51.3 | 172 | -64 | 174.7 | 157 | 0 | 0 | 112 | V447 K448 K453 A454 A455 | V447-E451 HydrophobicContact CG1-CG 4.45Å; V447-E451 PolarHBondContact O-N 3.04Å; K448-E451 WeakPolarHBondContact CG-OE2 3.24Å; K448-E451 PolarHBondContact O-N 3.01Å; E451-K453 VanDerWaalsContact C-N 3.31Å; E451-K453 PolarHBondContact O-N 2.88Å; E451-A454 CarbonylContact O-C 3.59Å; E451-A454 PolarHBondContact O-N 2.8Å; E451-A454 VanDerWaalsContact O-N 3.13Å; E451-A455 WeakPolarHBondContact O-CB 3.25Å; E451-A455 PolarHBondContact O-N 3.19Å |
| 452 | D | 55.9 | Low | 49.6 | Very low | 62 Ų | 62 | 83.5 Ų | 83.5 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 178.1 | -75.2 | -27.6 | 0 | 0 | 0 | 110.9 | K448 Q456 | K448-D452 WeakPolarHBondContact O-CB 3.43Å; K448-D452 PolarHBondContact O-N 2.95Å; D452-Q456 WeakPolarHBondContact O-CB 3.42Å; D452-Q456 WeakPolarHBondContact O-CG 3.24Å; D452-Q456 PolarHBondContact O-N 2.98Å |
| 453 | K | 52.3 | Low | 48.7 | Very low | 96 Ų | 96 | 83.7 Ų | 83.7 | 42% | 0.417 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -73.7 | -34 | 174.7 | -81.2 | -160 | 171 | -170.6 | 0 | 113.2 | E393 L449 F450 E451 A455 C457 | E393-K453 IonicContact OE2-NZ 2.79Å; L449-K453 WeakPolarHBondContact O-CB 3.43Å; F450-K453 PolarHBondContact O-N 3.19Å; E451-K453 VanDerWaalsContact C-N 3.31Å; E451-K453 PolarHBondContact O-N 2.88Å; K453-A455 VanDerWaalsContact C-N 3.34Å; K453-C457 WeakPolarHBondContact O-CB 3.35Å; K453-C457 PolarHBondContact O-N 3.5Å; K453-C457 PolarHBondContact O-SG 2.64Å; K453-C457 VanDerWaalsContact O-SG 3.36Å |
| 454 | A | 44.3 | Very low | 48.1 | Very low | 43 Ų | 43 | 85.7 Ų | 85.7 | 36% | 0.355 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F450 E451 L458 | F450-A454 VanDerWaalsContact O-CB 3.27Å; F450-A454 WeakPolarHBondContact O-CB 3.5Å; F450-A454 PolarHBondContact O-N 3.42Å; E451-A454 CarbonylContact O-C 3.59Å; E451-A454 PolarHBondContact O-N 2.8Å; E451-A454 VanDerWaalsContact O-N 3.13Å; A454-L458 WeakPolarHBondContact O-CB 3.36Å; A454-L458 WeakPolarHBondContact O-CD1 3.18Å; A454-L458 VanDerWaalsContact O-CG 3.24Å; A454-L458 WeakPolarHBondContact O-CG 3.35Å; A454-L458 PolarHBondContact O-N 3.4Å |
| 455 | A | 49 | Very low | 47.6 | Very low | 45 Ų | 45 | 86.5 Ų | 86.5 | 37% | 0.372 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E451 K453 L458 Q459 | E451-A455 WeakPolarHBondContact O-CB 3.25Å; E451-A455 PolarHBondContact O-N 3.19Å; K453-A455 VanDerWaalsContact C-N 3.34Å; A455-L458 CarbonylContact O-C 3.48Å; A455-L458 WeakPolarHBondContact O-CB 3.23Å; A455-L458 PolarHBondContact O-N 3.18Å; A455-L458 VanDerWaalsContact O-N 3.15Å; A455-Q459 PolarHBondContact O-N 3.38Å |
| 456 | Q | 52.6 | Low | 47 | Very low | 118 Ų | 118 | 91 Ų | 91 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.1 | -45.1 | 173.8 | -78.1 | -177.7 | -32.4 | 0 | 0 | 111.9 | D452 L458 Q459 Q460 | D452-Q456 WeakPolarHBondContact O-CB 3.42Å; D452-Q456 WeakPolarHBondContact O-CG 3.24Å; D452-Q456 PolarHBondContact O-N 2.98Å; Q456-L458 VanDerWaalsContact C-N 3.29Å; Q456-L458 PolarHBondContact O-N 2.88Å; Q456-Q459 PolarHBondContact O-N 3.41Å; Q456-Q460 WeakPolarHBondContact O-CB 3.34Å; Q456-Q460 PolarHBondContact O-N 2.94Å |
| 457 | C | 41.4 | Very low | 46.5 | Very low | 73 Ų | 73 | 94 Ų | 94 | 49% | 0.493 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 171.9 | -74.9 | 0 | 0 | 0 | 0 | 111.8 | K453 I461 | K453-C457 WeakPolarHBondContact O-CB 3.35Å; K453-C457 PolarHBondContact O-N 3.5Å; K453-C457 PolarHBondContact O-SG 2.64Å; K453-C457 VanDerWaalsContact O-SG 3.36Å; C457-I461 WeakPolarHBondContact O-CB 3.43Å; C457-I461 VanDerWaalsContact O-CD1 3.3Å; C457-I461 WeakPolarHBondContact O-CD1 3.43Å; C457-I461 WeakPolarHBondContact O-CG1 3.37Å; C457-I461 PolarHBondContact O-N 3.34Å |
| 458 | L | 39.7 | Very low | 46.1 | Very low | 112 Ų | 112 | 94.9 Ų | 94.9 | 59% | 0.586 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.3 | -37.5 | 176.8 | -78.8 | 164.3 | 0 | 0 | 0 | 113.1 | A454 A455 Q456 K462 | A454-L458 WeakPolarHBondContact O-CB 3.36Å; A454-L458 WeakPolarHBondContact O-CD1 3.18Å; A454-L458 VanDerWaalsContact O-CG 3.24Å; A454-L458 WeakPolarHBondContact O-CG 3.35Å; A454-L458 PolarHBondContact O-N 3.4Å; A455-L458 CarbonylContact O-C 3.48Å; A455-L458 WeakPolarHBondContact O-CB 3.23Å; A455-L458 PolarHBondContact O-N 3.18Å; A455-L458 VanDerWaalsContact O-N 3.15Å; Q456-L458 VanDerWaalsContact C-N 3.29Å; Q456-L458 PolarHBondContact O-N 2.88Å; L458-K462 PolarHBondContact O-N 3.32Å |
| 459 | Q | 48.8 | Very low | 45.4 | Very low | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.1 | -47.7 | 173.9 | -73 | -173.5 | -94.3 | 0 | 0 | 111.5 | A455 Q456 I461 K462 E463 | A455-Q459 PolarHBondContact O-N 3.38Å; Q456-Q459 PolarHBondContact O-N 3.41Å; Q459-I461 VanDerWaalsContact C-N 3.31Å; Q459-I461 PolarHBondContact O-N 3.46Å; Q459-K462 WeakPolarHBondContact O-CA 3.35Å; Q459-K462 VanDerWaalsContact O-CB 3.28Å; Q459-K462 WeakPolarHBondContact O-CB 3.49Å; Q459-K462 PolarHBondContact O-N 3.26Å; Q459-E463 PolarHBondContact O-N 3.37Å |
| 460 | Q | 43.3 | Very low | 44.9 | Very low | 121 Ų | 121 | 98.2 Ų | 98.2 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -37.1 | -178.9 | -160.1 | 166.1 | 14.2 | 0 | 0 | 111.5 | Q456 K462 E463 D464 | Q456-Q460 WeakPolarHBondContact O-CB 3.34Å; Q456-Q460 PolarHBondContact O-N 2.94Å; Q460-K462 VanDerWaalsContact C-N 3.29Å; Q460-K462 PolarHBondContact O-N 2.81Å; Q460-E463 PolarHBondContact O-N 3.23Å; Q460-D464 WeakPolarHBondContact O-CB 3.48Å; Q460-D464 PolarHBondContact O-N 3.06Å |
| 461 | I | 35.8 | Very low | 44.6 | Very low | 113 Ų | 113 | 98.2 Ų | 98.2 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.8 | -27.6 | 170.7 | -72 | 166.7 | 0 | 0 | 0 | 112.5 | C457 Q459 G465 | C457-I461 WeakPolarHBondContact O-CB 3.43Å; C457-I461 VanDerWaalsContact O-CD1 3.3Å; C457-I461 WeakPolarHBondContact O-CD1 3.43Å; C457-I461 WeakPolarHBondContact O-CG1 3.37Å; C457-I461 PolarHBondContact O-N 3.34Å; Q459-I461 VanDerWaalsContact C-N 3.31Å; Q459-I461 PolarHBondContact O-N 3.46Å; I461-G465 PolarHBondContact O-N 2.68Å |
| 462 | K | 42.2 | Very low | 44.2 | Very low | 135 Ų | 135 | 98.2 Ų | 98.2 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -74.4 | -47.1 | 173.9 | -168.4 | -165.5 | 173.4 | -151.2 | 0 | 110.9 | L458 Q459 Q460 G465 E466 | L458-K462 PolarHBondContact O-N 3.32Å; Q459-K462 WeakPolarHBondContact O-CA 3.35Å; Q459-K462 VanDerWaalsContact O-CB 3.28Å; Q459-K462 WeakPolarHBondContact O-CB 3.49Å; Q459-K462 PolarHBondContact O-N 3.26Å; Q460-K462 VanDerWaalsContact C-N 3.29Å; Q460-K462 PolarHBondContact O-N 2.81Å; K462-G465 WeakPolarHBondContact O-CA 3.29Å; K462-G465 PolarHBondContact O-N 2.94Å; K462-E466 WeakPolarHBondContact CE-OE1 3.34Å; K462-E466 IonicContact NZ-OE1 3.94Å; K462-E466 PolarHBondContact NZ-OE1 2.96Å; K462-E466 PolarHBondContact O-N 2.91Å; K462-E466 VanDerWaalsContact O-N 3.13Å |
| 463 | E | 45.8 | Very low | 43.7 | Very low | 122 Ų | 122 | 103.2 Ų | 103.2 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 179.7 | -70.5 | 165.1 | -175.3 | 0 | 0 | 111.4 | Q459 Q460 G465 E466 L467 | Q459-E463 PolarHBondContact O-N 3.37Å; Q460-E463 PolarHBondContact O-N 3.23Å; E463-G465 PolarHBondContact O-N 3.3Å; E463-G465 VanDerWaalsContact O-N 3.17Å; E463-E466 PolarHBondContact O-N 2.76Å; E463-L467 WeakPolarHBondContact O-CB 2.91Å; E463-L467 PolarHBondContact O-N 2.79Å |
| 464 | D | 43.5 | Very low | 43.2 | Very low | 95 Ų | 95 | 101.1 Ų | 101.1 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -22.4 | 172 | -80.3 | -28.1 | 0 | 0 | 0 | 113.3 | Q460 K468 | Q460-D464 WeakPolarHBondContact O-CB 3.48Å; Q460-D464 PolarHBondContact O-N 3.06Å; D464-K468 PolarHBondContact O-N 2.69Å |
| 465 | G | 40.1 | Very low | 43 | Very low | 39 Ų | 39 | 104.6 Ų | 104.6 | 40% | 0.402 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75 | -49.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I461 K462 E463 L467 K468 L469 | I461-G465 PolarHBondContact O-N 2.68Å; K462-G465 WeakPolarHBondContact O-CA 3.29Å; K462-G465 PolarHBondContact O-N 2.94Å; E463-G465 PolarHBondContact O-N 3.3Å; E463-G465 VanDerWaalsContact O-N 3.17Å; G465-L467 VanDerWaalsContact C-N 3.34Å; G465-K468 PolarHBondContact O-N 2.95Å; G465-L469 PolarHBondContact O-N 3.38Å |
| 466 | E | 41.8 | Very low | 42.8 | Very low | 110 Ų | 110 | 105.1 Ų | 105.1 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.7 | -34.6 | 176.8 | -67.8 | -179 | -154.3 | 0 | 0 | 111.2 | K462 E463 K468 L469 L470 | K462-E466 WeakPolarHBondContact CE-OE1 3.34Å; K462-E466 IonicContact NZ-OE1 3.94Å; K462-E466 PolarHBondContact NZ-OE1 2.96Å; K462-E466 PolarHBondContact O-N 2.91Å; K462-E466 VanDerWaalsContact O-N 3.13Å; E463-E466 PolarHBondContact O-N 2.76Å; E466-K468 VanDerWaalsContact C-N 3.27Å; E466-K468 PolarHBondContact O-N 2.99Å; E466-L469 WeakPolarHBondContact O-CB 3.25Å; E466-L469 PolarHBondContact O-N 3.15Å; E466-L469 VanDerWaalsContact O-N 3.14Å; E466-L470 PolarHBondContact O-N 2.9Å; E466-L470 VanDerWaalsContact O-N 3.09Å |
| 467 | L | 38.9 | Very low | 42.4 | Very low | 97 Ų | 97 | 105 Ų | 105 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -28.1 | 176.1 | -149.7 | 77.9 | 0 | 0 | 0 | 113.4 | E463 G465 R471 | E463-L467 WeakPolarHBondContact O-CB 2.91Å; E463-L467 PolarHBondContact O-N 2.79Å; G465-L467 VanDerWaalsContact C-N 3.34Å; L467-R471 WeakPolarHBondContact O-CB 3.49Å; L467-R471 PolarHBondContact O-N 2.98Å |
| 468 | K | 41.5 | Very low | 42.3 | Very low | 103 Ų | 103 | 107.5 Ų | 107.5 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.5 | -43.2 | 169.9 | -81.9 | -179.8 | 174.9 | 179.7 | 0 | 112.4 | D464 G465 E466 L470 R471 D472 | D464-K468 PolarHBondContact O-N 2.69Å; G465-K468 PolarHBondContact O-N 2.95Å; E466-K468 VanDerWaalsContact C-N 3.27Å; E466-K468 PolarHBondContact O-N 2.99Å; K468-L470 PolarHBondContact O-N 3.48Å; K468-R471 WeakPolarHBondContact O-CB 3.46Å; K468-R471 PolarHBondContact O-N 3.38Å; K468-R471 VanDerWaalsContact O-N 3.07Å; K468-D472 PolarHBondContact O-N 3.36Å |
| 469 | L | 41.1 | Very low | 42.3 | Very low | 101 Ų | 101 | 110.2 Ų | 110.2 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59 | -36.9 | 178.8 | -162.4 | 82.1 | 0 | 0 | 0 | 112.1 | G465 E466 R473 | G465-L469 PolarHBondContact O-N 3.38Å; E466-L469 WeakPolarHBondContact O-CB 3.25Å; E466-L469 PolarHBondContact O-N 3.15Å; E466-L469 VanDerWaalsContact O-N 3.14Å; L469-R473 WeakPolarHBondContact O-CG 3.41Å; L469-R473 PolarHBondContact O-N 3.4Å |
| 470 | L | 41.4 | Very low | 42 | Very low | 113 Ų | 113 | 112.4 Ų | 112.4 | 59% | 0.592 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.2 | -44.9 | 172.9 | -72.6 | 164.9 | 0 | 0 | 0 | 112.2 | E466 K468 R473 A474 | E466-L470 PolarHBondContact O-N 2.9Å; E466-L470 VanDerWaalsContact O-N 3.09Å; K468-L470 PolarHBondContact O-N 3.48Å; L470-R473 PolarHBondContact O-N 2.87Å; L470-A474 PolarHBondContact O-N 2.73Å; L470-A474 VanDerWaalsContact O-N 3.07Å |
| 471 | R | 44.1 | Very low | 42 | Very low | 142 Ų | 142 | 116.2 Ų | 116.2 | 54% | 0.536 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.5 | -44.7 | 178.9 | -174.7 | 179.6 | -58.5 | 175.4 | 4.6 | 112.7 | L467 K468 R473 A474 M475 | L467-R471 WeakPolarHBondContact O-CB 3.49Å; L467-R471 PolarHBondContact O-N 2.98Å; K468-R471 WeakPolarHBondContact O-CB 3.46Å; K468-R471 PolarHBondContact O-N 3.38Å; K468-R471 VanDerWaalsContact O-N 3.07Å; R471-R473 VanDerWaalsContact C-N 3.31Å; R471-R473 PolarHBondContact O-N 3.13Å; R471-A474 PolarHBondContact O-N 2.86Å; R471-M475 HydrophobicContact CG-CG 4.34Å; R471-M475 WeakPolarHBondContact O-CB 3.35Å; R471-M475 WeakPolarHBondContact O-CG 3.22Å; R471-M475 PolarHBondContact O-N 3.17Å |
| 472 | D | 45.5 | Very low | 41.8 | Very low | 105 Ų | 105 | 115 Ų | 115 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.1 | -28.6 | -175.4 | -63.2 | -20.1 | 0 | 0 | 0 | 111.4 | K468 A476 | K468-D472 PolarHBondContact O-N 3.36Å; D472-A476 PolarHBondContact O-N 3.35Å |
| 473 | R | 45.4 | Very low | 41.5 | Very low | 166 Ų | 166 | 110.6 Ų | 110.6 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67 | -49.3 | 167.8 | -74.1 | 176 | 179.9 | 174.8 | 0.9 | 112 | L469 L470 R471 M475 A476 D477 | L469-R473 WeakPolarHBondContact O-CG 3.41Å; L469-R473 PolarHBondContact O-N 3.4Å; L470-R473 PolarHBondContact O-N 2.87Å; R471-R473 VanDerWaalsContact C-N 3.31Å; R471-R473 PolarHBondContact O-N 3.13Å; R473-M475 VanDerWaalsContact C-N 3.27Å; R473-M475 PolarHBondContact O-N 2.88Å; R473-A476 WeakPolarHBondContact O-CB 3.32Å; R473-A476 PolarHBondContact O-N 3.45Å; R473-A476 VanDerWaalsContact O-N 3.1Å; R473-D477 PolarHBondContact O-N 2.73Å |
| 474 | A | 41.9 | Very low | 41.2 | Very low | 52 Ų | 52 | 115.3 Ų | 115.3 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.5 | -35 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L470 R471 A476 I478 | L470-A474 PolarHBondContact O-N 2.73Å; L470-A474 VanDerWaalsContact O-N 3.07Å; R471-A474 PolarHBondContact O-N 2.86Å; A474-A476 VanDerWaalsContact C-N 3.34Å; A474-I478 WeakPolarHBondContact O-CD1 3.43Å; A474-I478 VanDerWaalsContact O-CG1 3.27Å; A474-I478 WeakPolarHBondContact O-CG1 3.21Å; A474-I478 PolarHBondContact O-N 3.48Å |
| 475 | M | 39.3 | Very low | 41.1 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.7 | -31.5 | 175.6 | -70.1 | -86.6 | -72.3 | 0 | 0 | 112.8 | R471 R473 Q479 | R471-M475 HydrophobicContact CG-CG 4.34Å; R471-M475 WeakPolarHBondContact O-CB 3.35Å; R471-M475 WeakPolarHBondContact O-CG 3.22Å; R471-M475 PolarHBondContact O-N 3.17Å; R473-M475 VanDerWaalsContact C-N 3.27Å; R473-M475 PolarHBondContact O-N 2.88Å; M475-Q479 WeakPolarHBondContact O-CB 3.44Å; M475-Q479 PolarHBondContact O-N 2.9Å |
| 476 | A | 45.7 | Very low | 41.1 | Very low | 57 Ų | 57 | 124 Ų | 124 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.8 | -50 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D472 R473 A474 I478 Q479 E480 | D472-A476 PolarHBondContact O-N 3.35Å; R473-A476 WeakPolarHBondContact O-CB 3.32Å; R473-A476 PolarHBondContact O-N 3.45Å; R473-A476 VanDerWaalsContact O-N 3.1Å; A474-A476 VanDerWaalsContact C-N 3.34Å; A476-I478 VanDerWaalsContact C-N 3.26Å; A476-I478 PolarHBondContact O-N 3.07Å; A476-Q479 PolarHBondContact O-N 3.28Å; A476-E480 PolarHBondContact O-N 3.17Å |
| 477 | D | 42.5 | Very low | 40.7 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 62% | 0.615 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.3 | -36.8 | 178.7 | -74.3 | -0.9 | 0 | 0 | 0 | 112.3 | R473 | R473-D477 PolarHBondContact O-N 2.73Å |
| 478 | I | 39.7 | Very low | 40.8 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 64% | 0.641 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.6 | -31.9 | 177.6 | -69 | 168.8 | 0 | 0 | 0 | 111.8 | A474 A476 E480 | A474-I478 WeakPolarHBondContact O-CD1 3.43Å; A474-I478 VanDerWaalsContact O-CG1 3.27Å; A474-I478 WeakPolarHBondContact O-CG1 3.21Å; A474-I478 PolarHBondContact O-N 3.48Å; A476-I478 VanDerWaalsContact C-N 3.26Å; A476-I478 PolarHBondContact O-N 3.07Å; I478-E480 VanDerWaalsContact C-N 3.34Å |
| 479 | Q | 39.6 | Very low | 40.8 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -78.8 | -18.1 | -177.5 | -167.1 | 166.8 | -25.7 | 0 | 0 | 113 | M475 A476 | M475-Q479 WeakPolarHBondContact O-CB 3.44Å; M475-Q479 PolarHBondContact O-N 2.9Å; A476-Q479 PolarHBondContact O-N 3.28Å |
| 480 | E | 43.3 | Very low | 40.7 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 77% | 0.766 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -85.4 | -17.1 | 176.9 | -148.8 | 177.1 | -126.5 | 0 | 0 | 113.3 | A476 I478 | A476-E480 PolarHBondContact O-N 3.17Å; I478-E480 VanDerWaalsContact C-N 3.34Å |
| 481 | R | 42.1 | Very low | 40.6 | Very low | 201 Ų | 201 | 123.6 Ų | 123.6 | 76% | 0.758 | 63% | 0.625 | S | S | * | * | trans | -121.9 | 75 | -171 | -60.4 | -173.5 | -174.5 | -168.7 | 3.8 | 113 | G483 | R481-G483 PolarHBondContact O-N 3.12Å; R481-G483 VanDerWaalsContact O-N 3.17Å | ||
| 482 | G | 33.7 | Very low | 40.3 | Very low | 88 Ų | 88 | 120 Ų | 120 | 91% | 0.907 | 62% | 0.621 | S | S | * | * | trans | -68.3 | 106.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 483 | G | 35.2 | Very low | 40.1 | Very low | 41 Ų | 41 | 121.7 Ų | 121.7 | 42% | 0.423 | 62% | 0.624 | S | S | . | * | trans | -154.5 | 71.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | R481 E485 | R481-G483 PolarHBondContact O-N 3.12Å; R481-G483 VanDerWaalsContact O-N 3.17Å; G483-E485 VanDerWaalsContact C-N 3.33Å; G483-E485 PolarHBondContact O-N 3.2Å | ||
| 484 | R | 38.4 | Very low | 39.7 | Very low | 221 Ų | 221 | 117.4 Ų | 117.4 | 83% | 0.834 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -17.4 | -171.4 | -149.7 | 177.5 | -167.9 | -170.2 | 0.9 | 114.7 | E533 | R484-E533 IonicContact NH2-OE1 3.25Å; R484-E533 PolarHBondContact NH2-OE1 3.27Å |
| 485 | E | 43.1 | Very low | 39.5 | Very low | 166 Ų | 166 | 117.1 Ų | 117.1 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -30.6 | -171.4 | -61.3 | -173.2 | 154.1 | 0 | 0 | 113.8 | G483 L487 F488 | G483-E485 VanDerWaalsContact C-N 3.33Å; G483-E485 PolarHBondContact O-N 3.2Å; E485-L487 PolarHBondContact O-N 3.41Å; E485-F488 PolarHBondContact O-N 3.46Å |
| 486 | E | 38.8 | Very low | 39.5 | Very low | 150 Ų | 150 | 117.4 Ų | 117.4 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.7 | -42.5 | 179.2 | -66.3 | -171.5 | 117.8 | 0 | 0 | 112.2 | F488 N489 V490 | E486-F488 PolarHBondContact O-N 3.09Å; E486-N489 PolarHBondContact O-N 3.44Å; E486-V490 WeakPolarHBondContact O-CG2 3.37Å; E486-V490 PolarHBondContact O-N 3.45Å |
| 487 | L | 34.7 | Very low | 39.1 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 39% | 0.387 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -57.2 | -34.2 | -179.4 | -161.5 | 75.7 | 0 | 0 | 0 | 112.5 | E485 V491 | E485-L487 PolarHBondContact O-N 3.41Å; L487-V491 WeakPolarHBondContact O-CG2 3.39Å; L487-V491 PolarHBondContact O-N 2.87Å |
| 488 | F | 40.4 | Very low | 38.8 | Very low | 165 Ų | 165 | 120.9 Ų | 120.9 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.6 | -34.2 | 179.4 | -154 | -87.3 | 0 | 0 | 0 | 112.1 | E485 E486 S492 | E485-F488 PolarHBondContact O-N 3.46Å; E486-F488 PolarHBondContact O-N 3.09Å; F488-S492 PolarHBondContact O-N 2.89Å |
| 489 | N | 40.3 | Very low | 38.8 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74 | -35.9 | 175.1 | -102.3 | -38 | 0 | 0 | 0 | 112.6 | E486 K493 | E486-N489 PolarHBondContact O-N 3.44Å; N489-K493 PolarHBondContact O-N 2.82Å |
| 490 | V | 39.9 | Very low | 38.9 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 47% | 0.473 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.2 | -50.6 | 178.9 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | E486 S492 K493 L494 | E486-V490 WeakPolarHBondContact O-CG2 3.37Å; E486-V490 PolarHBondContact O-N 3.45Å; V490-S492 VanDerWaalsContact C-N 3.27Å; V490-S492 PolarHBondContact O-N 2.79Å; V490-K493 PolarHBondContact O-N 3.1Å; V490-K493 VanDerWaalsContact O-N 3.09Å; V490-L494 HydrophobicContact CG1-CD1 3.67Å; V490-L494 VanDerWaalsContact O-CD1 3.29Å; V490-L494 WeakPolarHBondContact O-CD1 3.27Å; V490-L494 PolarHBondContact O-N 2.99Å; V490-L494 VanDerWaalsContact O-N 3.07Å |
| 491 | V | 38.6 | Very low | 38.9 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 54% | 0.539 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -59.2 | -38 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 112 | L487 K493 G495 | L487-V491 WeakPolarHBondContact O-CG2 3.39Å; L487-V491 PolarHBondContact O-N 2.87Å; V491-K493 PolarHBondContact O-N 3.25Å; V491-G495 PolarHBondContact O-N 3.35Å |
| 492 | S | 39.1 | Very low | 38.6 | Very low | 65 Ų | 65 | 119.4 Ų | 119.4 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.1 | -39.1 | 176.1 | -173.8 | 0 | 0 | 0 | 0 | 113 | F488 V490 | F488-S492 PolarHBondContact O-N 2.89Å; V490-S492 VanDerWaalsContact C-N 3.27Å; V490-S492 PolarHBondContact O-N 2.79Å |
| 493 | K | 41.3 | Very low | 38.7 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 61% | 0.613 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.9 | -45.3 | -179.7 | -77.8 | -178.4 | 172.4 | 179.9 | 0 | 113.3 | N489 V490 V491 G495 M496 N497 | N489-K493 PolarHBondContact O-N 2.82Å; V490-K493 PolarHBondContact O-N 3.1Å; V490-K493 VanDerWaalsContact O-N 3.09Å; V491-K493 PolarHBondContact O-N 3.25Å; K493-G495 VanDerWaalsContact C-N 3.3Å; K493-G495 PolarHBondContact O-N 3.18Å; K493-M496 PolarHBondContact O-N 3.31Å; K493-N497 PolarHBondContact O-N 3.4Å |
| 494 | L | 36.7 | Very low | 38.7 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 40% | 0.403 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.5 | -40.7 | 179.7 | -86.8 | 83.3 | 0 | 0 | 0 | 111.6 | V490 M496 F498 | V490-L494 HydrophobicContact CG1-CD1 3.67Å; V490-L494 VanDerWaalsContact O-CD1 3.29Å; V490-L494 WeakPolarHBondContact O-CD1 3.27Å; V490-L494 PolarHBondContact O-N 2.99Å; V490-L494 VanDerWaalsContact O-N 3.07Å; L494-M496 PolarHBondContact O-N 3.39Å; L494-F498 WeakPolarHBondContact O-CB 3.47Å; L494-F498 PolarHBondContact O-N 3.13Å |
| 495 | G | 36.7 | Very low | 38.6 | Very low | 46 Ų | 46 | 124.4 Ų | 124.4 | 47% | 0.474 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.6 | -19.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V491 K493 I499 | V491-G495 PolarHBondContact O-N 3.35Å; K493-G495 VanDerWaalsContact C-N 3.3Å; K493-G495 PolarHBondContact O-N 3.18Å; G495-I499 WeakPolarHBondContact O-CD1 3.27Å |
| 496 | M | 39.9 | Very low | 38.1 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 60% | 0.601 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -100.9 | -41 | 177 | -69.1 | -167.9 | -67.4 | 0 | 0 | 113 | K493 L494 F498 I499 | K493-M496 PolarHBondContact O-N 3.31Å; L494-M496 PolarHBondContact O-N 3.39Å; M496-F498 PolarHBondContact O-N 3.36Å; M496-I499 PolarHBondContact O-N 3.4Å |
| 497 | N | 36.8 | Very low | 38 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 52% | 0.519 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.6 | -42.3 | -179 | -71.6 | 18.9 | 0 | 0 | 0 | 111.8 | K493 I499 M500 E501 | K493-N497 PolarHBondContact O-N 3.4Å; N497-I499 PolarHBondContact O-N 3.3Å; N497-M500 PolarHBondContact O-N 3.48Å; N497-E501 PolarHBondContact O-N 3.37Å |
| 498 | F | 35.7 | Very low | 38.2 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.1 | -15.8 | -178.8 | -151.3 | -87.6 | 0 | 0 | 0 | 113.8 | L494 M496 | L494-F498 WeakPolarHBondContact O-CB 3.47Å; L494-F498 PolarHBondContact O-N 3.13Å; M496-F498 PolarHBondContact O-N 3.36Å |
| 499 | I | 39.5 | Very low | 38 | Very low | 142 Ų | 142 | 128 Ų | 128 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -93.5 | -16.8 | 177.8 | -62.8 | 179.1 | 0 | 0 | 0 | 111.9 | G495 M496 N497 | G495-I499 WeakPolarHBondContact O-CD1 3.27Å; M496-I499 PolarHBondContact O-N 3.4Å; N497-I499 PolarHBondContact O-N 3.3Å |
| 500 | M | 42.3 | Very low | 38.2 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 83% | 0.833 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -104.5 | -16.6 | -177.8 | -59.5 | -167.5 | 85.4 | 0 | 0 | 114.2 | N497 | N497-M500 PolarHBondContact O-N 3.48Å |
| 501 | E | 43.4 | Very low | 38.7 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -101 | 3.4 | -166.8 | -155.9 | 152.5 | -146.2 | 0 | 0 | 114.9 | N497 | N497-E501 PolarHBondContact O-N 3.37Š|
| 502 | Q | 35.9 | Very low | 39.1 | Very low | 158 Ų | 158 | 129 Ų | 129 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -130.8 | 86.6 | 172.4 | -70.5 | -166.8 | -12.4 | 0 | 0 | 112.7 | ||||
| 503 | Q | 35.1 | Very low | 39.3 | Very low | 188 Ų | 188 | 130.9 Ų | 130.9 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | trans | -103 | 159.3 | 154 | -97.7 | -164.2 | -38.9 | 0 | 0 | 110 | ||||
| 504 | P | 36.1 | Very low | 39.1 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | trans | -86.5 | 158.1 | -147.8 | 33.5 | -38 | 0 | 0 | 0 | 115.2 | ||||
| 505 | N | 36.2 | Very low | 39.2 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | trans | -141.9 | 160 | 147.8 | -86.1 | -52.1 | 0 | 0 | 0 | 108.3 | ||||
| 506 | D | 33.1 | Very low | 39.3 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | trans | -78.6 | -179.7 | -170.1 | -58.9 | -76.5 | 0 | 0 | 0 | 114.5 | ||||
| 507 | D | 35.4 | Very low | 39.2 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | trans | 63.2 | 81.5 | 172.3 | -61.3 | -24.8 | 0 | 0 | 0 | 117.8 | ||||
| 508 | D | 39.6 | Very low | 39.2 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 88% | 0.882 | 67% | 0.673 | S | S | * | * | -168.3 | 159.8 | 98.6 | -138.6 | -29.2 | 0 | 0 | 0 | 113.8 | D510 | D508-D510 PolarHBondContact O-N 3.04Š| |||
| 509 | N | 37.3 | Very low | 39.5 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 84% | 0.84 | 67% | 0.666 | S | S | * | * | trans | -95.7 | 74.5 | -179.7 | -88.5 | -77.2 | 0 | 0 | 0 | 113 | P511 | N509-P511 VanDerWaalsContact O-CD 3.26Å; N509-P511 WeakPolarHBondContact O-CD 3.47Å | ||
| 510 | D | 44.6 | Very low | 39.5 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 43% | 0.428 | 66% | 0.657 | S | S | . | * | trans | -99.7 | 101.5 | 168.9 | -169.9 | -2.1 | 0 | 0 | 0 | 112.9 | D508 N512 L513 | D508-D510 PolarHBondContact O-N 3.04Å; D510-N512 PolarHBondContact O-N 3.48Å; D510-N512 VanDerWaalsContact O-N 3.13Å; D510-N512 WeakPolarHBondContact OD1-CB 3.39Å; D510-N512 PolarHBondContact OD1-N 3.03Å; D510-L513 WeakPolarHBondContact O-CB 3.23Å; D510-L513 PolarHBondContact O-N 2.93Å; D510-L513 VanDerWaalsContact O-N 3.11Å | ||
| 511 | P | 50 | Low | 39.1 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -5.2 | 176.6 | 30.1 | -35.9 | 0 | 0 | 0 | 114.3 | N509 | N509-P511 VanDerWaalsContact O-CD 3.26Å; N509-P511 WeakPolarHBondContact O-CD 3.47Å |
| 512 | N | 46.9 | Very low | 38.7 | Very low | 99 Ų | 99 | 122 Ų | 122 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | 0.3 | 170.5 | -90.6 | -46.6 | 0 | 0 | 0 | 114.2 | D510 T514 S515 R516 | D510-N512 PolarHBondContact O-N 3.48Å; D510-N512 VanDerWaalsContact O-N 3.13Å; D510-N512 WeakPolarHBondContact OD1-CB 3.39Å; D510-N512 PolarHBondContact OD1-N 3.03Å; N512-T514 VanDerWaalsContact C-N 3.34Å; N512-T514 PolarHBondContact O-N 3.35Å; N512-S515 VanDerWaalsContact CA-OG 3.31Å; N512-S515 WeakPolarHBondContact CA-OG 3.48Å; N512-S515 PolarHBondContact O-N 3.27Å; N512-S515 PolarHBondContact O-OG 3.04Å; N512-S515 PolarHBondContact OD1-OG 2.92Å; N512-R516 WeakPolarHBondContact O-CB 3.37Å; N512-R516 WeakPolarHBondContact O-CG 3.48Å; N512-R516 PolarHBondContact O-N 2.98Å |
| 513 | L | 42 | Very low | 38.9 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 55% | 0.55 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.4 | -41 | 177.2 | -170.1 | 67.4 | 0 | 0 | 0 | 111.6 | D510 R516 L517 | D510-L513 WeakPolarHBondContact O-CB 3.23Å; D510-L513 PolarHBondContact O-N 2.93Å; D510-L513 VanDerWaalsContact O-N 3.11Å; L513-R516 PolarHBondContact O-N 3.25Å; L513-L517 HydrophobicContact CD1-CD1 4.33Å; L513-L517 HydrophobicContact CG-CD1 4.41Å; L513-L517 PolarHBondContact O-N 2.82Å |
| 514 | T | 37.6 | Very low | 38.9 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 58% | 0.577 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.3 | -34.2 | -179.9 | -36.4 | 0 | 0 | 0 | 0 | 112.8 | N512 Q518 | N512-T514 VanDerWaalsContact C-N 3.34Å; N512-T514 PolarHBondContact O-N 3.35Å; T514-Q518 WeakPolarHBondContact O-CB 3.39Å; T514-Q518 VanDerWaalsContact O-CG 3.27Å; T514-Q518 WeakPolarHBondContact O-CG 3.32Å; T514-Q518 PolarHBondContact O-N 3.08Å |
| 515 | S | 38.2 | Very low | 38.8 | Very low | 39 Ų | 39 | 116.4 Ų | 116.4 | 27% | 0.273 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72.8 | -37.7 | 175.2 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | N512 Q518 I519 | N512-S515 VanDerWaalsContact CA-OG 3.31Å; N512-S515 WeakPolarHBondContact CA-OG 3.48Å; N512-S515 PolarHBondContact O-N 3.27Å; N512-S515 PolarHBondContact O-OG 3.04Å; N512-S515 PolarHBondContact OD1-OG 2.92Å; S515-Q518 PolarHBondContact O-N 3.38Å; S515-I519 WeakPolarHBondContact O-CD1 3.18Å; S515-I519 VanDerWaalsContact O-CG1 3.25Å; S515-I519 WeakPolarHBondContact O-CG1 3.3Å; S515-I519 PolarHBondContact O-N 3.03Å |
| 516 | R | 39 | Very low | 39 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 58% | 0.577 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.2 | -51.7 | 170.5 | -76.7 | 177.6 | 124.8 | 168.3 | -4.2 | 112.1 | N512 L513 Q518 I519 E520 | N512-R516 WeakPolarHBondContact O-CB 3.37Å; N512-R516 WeakPolarHBondContact O-CG 3.48Å; N512-R516 PolarHBondContact O-N 2.98Å; L513-R516 PolarHBondContact O-N 3.25Å; R516-Q518 VanDerWaalsContact C-N 3.26Å; R516-Q518 PolarHBondContact O-N 3.44Å; R516-I519 PolarHBondContact O-N 3.1Å; R516-E520 PolarHBondContact O-N 3.49Å |
| 517 | L | 38.9 | Very low | 39.3 | Very low | 76 Ų | 76 | 115.8 Ų | 115.8 | 40% | 0.398 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -57.6 | -38.3 | 175.5 | -107.1 | 77.2 | 0 | 0 | 0 | 112.2 | L513 M521 | L513-L517 HydrophobicContact CD1-CD1 4.33Å; L513-L517 HydrophobicContact CG-CD1 4.41Å; L513-L517 PolarHBondContact O-N 2.82Å; L517-M521 WeakPolarHBondContact O-CB 3.48Å; L517-M521 PolarHBondContact O-N 3.35Å |
| 518 | Q | 37.2 | Very low | 39.4 | Very low | 115 Ų | 115 | 110.1 Ų | 110.1 | 54% | 0.537 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.2 | -35.2 | 176.1 | -78.4 | 177.7 | -0.5 | 0 | 0 | 113 | T514 S515 R516 L522 | T514-Q518 WeakPolarHBondContact O-CB 3.39Å; T514-Q518 VanDerWaalsContact O-CG 3.27Å; T514-Q518 WeakPolarHBondContact O-CG 3.32Å; T514-Q518 PolarHBondContact O-N 3.08Å; S515-Q518 PolarHBondContact O-N 3.38Å; R516-Q518 VanDerWaalsContact C-N 3.26Å; R516-Q518 PolarHBondContact O-N 3.44Å; Q518-L522 VanDerWaalsContact O-CB 3.24Å; Q518-L522 WeakPolarHBondContact O-CB 3.4Å; Q518-L522 WeakPolarHBondContact O-CD1 3.18Å; Q518-L522 WeakPolarHBondContact O-CG 3.47Å; Q518-L522 PolarHBondContact O-N 3.41Å |
| 519 | I | 41.2 | Very low | 39.2 | Very low | 97 Ų | 97 | 105.7 Ų | 105.7 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.4 | -47.6 | 176.8 | -70.5 | 164.2 | 0 | 0 | 0 | 110.6 | S515 R516 M521 L522 Q523 | S515-I519 WeakPolarHBondContact O-CD1 3.18Å; S515-I519 VanDerWaalsContact O-CG1 3.25Å; S515-I519 WeakPolarHBondContact O-CG1 3.3Å; S515-I519 PolarHBondContact O-N 3.03Å; R516-I519 PolarHBondContact O-N 3.1Å; I519-M521 PolarHBondContact O-N 2.75Å; I519-L522 WeakPolarHBondContact O-CB 3.17Å; I519-L522 PolarHBondContact O-N 3.37Å; I519-L522 VanDerWaalsContact O-N 3.16Å; I519-Q523 WeakPolarHBondContact O-CG 3.38Å; I519-Q523 PolarHBondContact O-N 3.11Å |
| 520 | E | 38.6 | Very low | 39.1 | Very low | 116 Ų | 116 | 104.9 Ų | 104.9 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.8 | -69.9 | 174.9 | 172.8 | 0 | 0 | 111.5 | R516 L522 Q523 H524 | R516-E520 PolarHBondContact O-N 3.49Å; E520-L522 VanDerWaalsContact C-N 3.34Å; E520-L522 PolarHBondContact O-N 2.98Å; E520-Q523 PolarHBondContact O-N 3.46Å; E520-H524 PolarHBondContact O-N 3.03Å |
| 521 | M | 35.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 105.7 Ų | 105.7 | 56% | 0.562 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.8 | -31.7 | 173.5 | -169.4 | -176.9 | 71.1 | 0 | 0 | 112.3 | L517 I519 L525 | L517-M521 WeakPolarHBondContact O-CB 3.48Å; L517-M521 PolarHBondContact O-N 3.35Å; I519-M521 PolarHBondContact O-N 2.75Å; M521-L525 HydrophobicContact CE-CD1 4.44Å; M521-L525 HydrophobicContact CG-CD1 4.09Å; M521-L525 VanDerWaalsContact O-CB 3.27Å; M521-L525 WeakPolarHBondContact O-CB 3.4Å; M521-L525 WeakPolarHBondContact O-CD1 3.49Å; M521-L525 WeakPolarHBondContact O-CG 3.3Å; M521-L525 PolarHBondContact O-N 2.88Å |
| 522 | L | 35 | Very low | 38.2 | Very low | 112 Ų | 112 | 104.9 Ų | 104.9 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | 171.2 | -86 | 165.9 | 0 | 0 | 0 | 111.6 | Q518 I519 E520 L525 E526 | Q518-L522 VanDerWaalsContact O-CB 3.24Å; Q518-L522 WeakPolarHBondContact O-CB 3.4Å; Q518-L522 WeakPolarHBondContact O-CD1 3.18Å; Q518-L522 WeakPolarHBondContact O-CG 3.47Å; Q518-L522 PolarHBondContact O-N 3.41Å; I519-L522 WeakPolarHBondContact O-CB 3.17Å; I519-L522 PolarHBondContact O-N 3.37Å; I519-L522 VanDerWaalsContact O-N 3.16Å; E520-L522 VanDerWaalsContact C-N 3.34Å; E520-L522 PolarHBondContact O-N 2.98Å; L522-L525 PolarHBondContact O-N 3.42Å; L522-L525 VanDerWaalsContact O-N 3.16Å; L522-E526 PolarHBondContact O-N 3.21Å |
| 523 | Q | 38.6 | Very low | 37.8 | Very low | 119 Ų | 119 | 106.3 Ų | 106.3 | 56% | 0.556 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.1 | -44.5 | 176.3 | -70.6 | 178.1 | -80.8 | 0 | 0 | 111.4 | I519 E520 L525 E526 | I519-Q523 WeakPolarHBondContact O-CG 3.38Å; I519-Q523 PolarHBondContact O-N 3.11Å; E520-Q523 PolarHBondContact O-N 3.46Å; Q523-L525 PolarHBondContact O-N 2.99Å; Q523-E526 PolarHBondContact O-N 2.7Å |
| 524 | H | 36.1 | Very low | 37.3 | Very low | 113 Ų | 113 | 109.3 Ų | 109.3 | 52% | 0.523 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69 | -27.6 | 173.4 | -100 | -28.7 | 0 | 0 | 0 | 114 | E520 E526 E527 | E520-H524 PolarHBondContact O-N 3.03Å; H524-E526 VanDerWaalsContact C-N 3.35Å; H524-E527 IonicContact CE1-OE2 3.53Å; H524-E527 IonicContact CG-OE2 3.85Å; H524-E527 IonicContact ND1-OE2 3.33Å; H524-E527 PolarHBondContact ND1-OE2 2.96Å |
| 525 | L | 34.7 | Very low | 37.2 | Very low | 104 Ų | 104 | 109.7 Ų | 109.7 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.4 | -24.3 | 174.8 | -79 | 167.7 | 0 | 0 | 0 | 112.8 | M521 L522 Q523 E527 S528 | M521-L525 HydrophobicContact CE-CD1 4.44Å; M521-L525 HydrophobicContact CG-CD1 4.09Å; M521-L525 VanDerWaalsContact O-CB 3.27Å; M521-L525 WeakPolarHBondContact O-CB 3.4Å; M521-L525 WeakPolarHBondContact O-CD1 3.49Å; M521-L525 WeakPolarHBondContact O-CG 3.3Å; M521-L525 PolarHBondContact O-N 2.88Å; L522-L525 PolarHBondContact O-N 3.42Å; L522-L525 VanDerWaalsContact O-N 3.16Å; Q523-L525 PolarHBondContact O-N 2.99Å; L525-E527 PolarHBondContact O-N 3.12Å; L525-S528 WeakPolarHBondContact O-CB 3.44Å; L525-S528 PolarHBondContact O-N 2.83Å |
| 526 | E | 39.9 | Very low | 37 | Very low | 170 Ų | 170 | 113.8 Ų | 113.8 | 79% | 0.794 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.6 | -20.1 | 176.3 | -154.5 | 159.5 | -149.7 | 0 | 0 | 112.3 | L522 Q523 H524 S528 | L522-E526 PolarHBondContact O-N 3.21Å; Q523-E526 PolarHBondContact O-N 2.7Å; H524-E526 VanDerWaalsContact C-N 3.35Å; E526-S528 VanDerWaalsContact C-N 3.33Å; E526-S528 PolarHBondContact O-N 2.9Å |
| 527 | E | 39.2 | Very low | 36.9 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -2.3 | 177.7 | -59.2 | 178.7 | 130.6 | 0 | 0 | 114.2 | H524 L525 S529 | H524-E527 IonicContact CE1-OE2 3.53Å; H524-E527 IonicContact CG-OE2 3.85Å; H524-E527 IonicContact ND1-OE2 3.33Å; H524-E527 PolarHBondContact ND1-OE2 2.96Å; L525-E527 PolarHBondContact O-N 3.12Å; E527-S529 PolarHBondContact O-N 3.32Å |
| 528 | S | 36.5 | Very low | 36.8 | Very low | 42 Ų | 42 | 111 Ų | 111 | 29% | 0.294 | 56% | 0.562 | S | S | . | * | trans | -81.6 | 100.9 | -171.3 | -176.5 | 0 | 0 | 0 | 0 | 114.6 | L525 E526 L530 V531 | L525-S528 WeakPolarHBondContact O-CB 3.44Å; L525-S528 PolarHBondContact O-N 2.83Å; E526-S528 VanDerWaalsContact C-N 3.33Å; E526-S528 PolarHBondContact O-N 2.9Å; S528-L530 VanDerWaalsContact C-N 3.28Å; S528-L530 PolarHBondContact O-N 3.43Å; S528-L530 VanDerWaalsContact O-N 3.14Å; S528-V531 PolarHBondContact O-N 2.94Å | ||
| 529 | S | 36.7 | Very low | 36.7 | Very low | 72 Ų | 72 | 109 Ų | 109 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.5 | -29.1 | -175.6 | 65.3 | 0 | 0 | 0 | 0 | 116 | E527 V531 N532 | E527-S529 PolarHBondContact O-N 3.32Å; S529-V531 PolarHBondContact O-N 3.18Å; S529-N532 PolarHBondContact O-N 3.14Å |
| 530 | L | 35.2 | Very low | 36.4 | Very low | 140 Ų | 140 | 109.9 Ų | 109.9 | 73% | 0.733 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.2 | -23.4 | -173.1 | -164.5 | 71.6 | 0 | 0 | 0 | 113.4 | S528 | S528-L530 VanDerWaalsContact C-N 3.28Å; S528-L530 PolarHBondContact O-N 3.43Å; S528-L530 VanDerWaalsContact O-N 3.14Å |
| 531 | V | 36.8 | Very low | 36.3 | Very low | 96 Ų | 96 | 114.1 Ų | 114.1 | 58% | 0.582 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.2 | -32.7 | 179.4 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | S528 S529 K534 L535 | S528-V531 PolarHBondContact O-N 2.94Å; S529-V531 PolarHBondContact O-N 3.18Å; V531-K534 PolarHBondContact O-N 2.95Å; V531-L535 PolarHBondContact O-N 3.37Å |
| 532 | N | 38.8 | Very low | 36.2 | Very low | 101 Ų | 101 | 114.9 Ų | 114.9 | 54% | 0.54 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.3 | -35.8 | -171.1 | -88.4 | -45 | 0 | 0 | 0 | 114.3 | S529 K534 L535 K536 | S529-N532 PolarHBondContact O-N 3.14Å; N532-K534 PolarHBondContact O-N 3.18Å; N532-L535 PolarHBondContact O-N 3.02Å; N532-K536 WeakPolarHBondContact O-CB 3.48Å; N532-K536 PolarHBondContact O-N 3.08Å |
| 533 | E | 37.3 | Very low | 36.1 | Very low | 130 Ų | 130 | 113.9 Ų | 113.9 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.5 | -38.1 | 178.6 | -91.5 | -168 | 177.9 | 0 | 0 | 112.7 | R484 K536 S537 | R484-E533 IonicContact NH2-OE1 3.25Å; R484-E533 PolarHBondContact NH2-OE1 3.27Å; E533-K536 PolarHBondContact O-N 3.03Å; E533-S537 PolarHBondContact O-N 3.39Å |
| 534 | K | 33.2 | Very low | 35.9 | Very low | 168 Ų | 168 | 112.4 Ų | 112.4 | 73% | 0.73 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65 | -42.1 | 175.6 | -112.4 | 173.5 | -177.8 | 168.3 | 0 | 111.5 | V531 N532 S537 | V531-K534 PolarHBondContact O-N 2.95Å; N532-K534 PolarHBondContact O-N 3.18Å; K534-S537 PolarHBondContact O-N 2.92Å; K534-S537 PolarHBondContact O-OG 3.31Å |
| 535 | L | 34.5 | Very low | 35.8 | Very low | 102 Ų | 102 | 110.7 Ų | 110.7 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -43.1 | 176.5 | -156.7 | 74.2 | 0 | 0 | 0 | 111.4 | V531 N532 S537 I538 V539 | V531-L535 PolarHBondContact O-N 3.37Å; N532-L535 PolarHBondContact O-N 3.02Å; L535-S537 PolarHBondContact O-N 3.38Å; L535-I538 WeakPolarHBondContact O-CB 3.21Å; L535-I538 PolarHBondContact O-N 3.21Å; L535-I538 VanDerWaalsContact O-N 3.08Å; L535-V539 PolarHBondContact O-N 3.35Å; L535-V539 VanDerWaalsContact O-N 3.11Å |
| 536 | K | 33.7 | Very low | 35.9 | Very low | 124 Ų | 124 | 110.6 Ų | 110.6 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -55.9 | -45.5 | 177.6 | -174.9 | 175.1 | 175.4 | 179.4 | 0 | 112.5 | N532 E533 I538 V539 E540 | N532-K536 WeakPolarHBondContact O-CB 3.48Å; N532-K536 PolarHBondContact O-N 3.08Å; E533-K536 PolarHBondContact O-N 3.03Å; K536-I538 PolarHBondContact O-N 3.32Å; K536-I538 VanDerWaalsContact O-N 3.16Å; K536-V539 PolarHBondContact O-N 2.92Å; K536-V539 VanDerWaalsContact O-N 3.12Å; K536-E540 WeakPolarHBondContact CE-OE1 3.45Å; K536-E540 HydrophobicContact CG-CG 4.39Å; K536-E540 WeakPolarHBondContact CG-OE1 3.47Å; K536-E540 WeakPolarHBondContact O-CG 3.43Å; K536-E540 PolarHBondContact O-N 3.44Å |
| 537 | S | 37.8 | Very low | 35.7 | Very low | 64 Ų | 64 | 106.3 Ų | 106.3 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.2 | -24.3 | 177.9 | 76.6 | 0 | 0 | 0 | 0 | 114.7 | E533 K534 L535 | E533-S537 PolarHBondContact O-N 3.39Å; K534-S537 PolarHBondContact O-N 2.92Å; K534-S537 PolarHBondContact O-OG 3.31Å; L535-S537 PolarHBondContact O-N 3.38Å |
| 538 | I | 35.6 | Very low | 35.5 | Very low | 108 Ų | 108 | 104.3 Ų | 104.3 | 55% | 0.554 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -84.4 | -39.7 | 177.2 | -62.1 | 169 | 0 | 0 | 0 | 110 | L535 K536 R541 Q542 | L535-I538 WeakPolarHBondContact O-CB 3.21Å; L535-I538 PolarHBondContact O-N 3.21Å; L535-I538 VanDerWaalsContact O-N 3.08Å; K536-I538 PolarHBondContact O-N 3.32Å; K536-I538 VanDerWaalsContact O-N 3.16Å; I538-R541 PolarHBondContact O-N 3.32Å; I538-Q542 PolarHBondContact O-N 2.72Å |
| 539 | V | 35.1 | Very low | 35.3 | Very low | 73 Ų | 73 | 107.5 Ų | 107.5 | 44% | 0.442 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.7 | -41.7 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 112 | L535 K536 R541 Q542 L543 | L535-V539 PolarHBondContact O-N 3.35Å; L535-V539 VanDerWaalsContact O-N 3.11Å; K536-V539 PolarHBondContact O-N 2.92Å; K536-V539 VanDerWaalsContact O-N 3.12Å; V539-R541 VanDerWaalsContact C-N 3.26Å; V539-R541 PolarHBondContact O-N 3.11Å; V539-Q542 PolarHBondContact O-N 3Å; V539-L543 HydrophobicContact CG1-CD1 4.07Å; V539-L543 PolarHBondContact O-N 2.63Å; V539-L543 VanDerWaalsContact O-N 3.13Å |
| 540 | E | 35.8 | Very low | 35.3 | Very low | 114 Ų | 114 | 106.8 Ų | 106.8 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61 | -34.9 | 178 | -73.6 | 172.6 | 173.5 | 0 | 0 | 112.2 | K536 Q542 L543 | K536-E540 WeakPolarHBondContact CE-OE1 3.45Å; K536-E540 HydrophobicContact CG-CG 4.39Å; K536-E540 WeakPolarHBondContact CG-OE1 3.47Å; K536-E540 WeakPolarHBondContact O-CG 3.43Å; K536-E540 PolarHBondContact O-N 3.44Å; E540-Q542 VanDerWaalsContact C-N 3.29Å; E540-Q542 PolarHBondContact O-N 3.39Å; E540-L543 PolarHBondContact O-N 2.94Å |
| 541 | R | 35.4 | Very low | 35.2 | Very low | 205 Ų | 205 | 104.8 Ų | 104.8 | 77% | 0.774 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.6 | -20.4 | 172.2 | -90.5 | -179.1 | 167.1 | 168.1 | -2.1 | 114.8 | I538 V539 S544 | I538-R541 PolarHBondContact O-N 3.32Å; V539-R541 VanDerWaalsContact C-N 3.26Å; V539-R541 PolarHBondContact O-N 3.11Å; R541-S544 PolarHBondContact O-OG 3.29Å |
| 542 | Q | 35 | Very low | 35 | Very low | 130 Ų | 130 | 103.3 Ų | 103.3 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -89.8 | -26.5 | 176.1 | -65.1 | -67.4 | -74.7 | 0 | 0 | 111.9 | I538 V539 E540 S544 | I538-Q542 PolarHBondContact O-N 2.72Å; V539-Q542 PolarHBondContact O-N 3Å; E540-Q542 VanDerWaalsContact C-N 3.29Å; E540-Q542 PolarHBondContact O-N 3.39Å; Q542-S544 VanDerWaalsContact C-N 3.28Å; Q542-S544 PolarHBondContact O-N 2.56Å |
| 543 | L | 33 | Very low | 34.9 | Very low | 91 Ų | 91 | 103.2 Ų | 103.2 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.3 | -18.7 | 179.1 | -109.3 | 75 | 0 | 0 | 0 | 114.5 | V539 E540 D545 F548 | V539-L543 HydrophobicContact CG1-CD1 4.07Å; V539-L543 PolarHBondContact O-N 2.63Å; V539-L543 VanDerWaalsContact O-N 3.13Å; E540-L543 PolarHBondContact O-N 2.94Å; L543-D545 VanDerWaalsContact C-N 3.29Å; L543-D545 PolarHBondContact O-N 2.79Å; L543-F548 HydrophobicContact CD1-CD1 4.35Å; L543-F548 HydrophobicContact CD1-CE1 3.76Å; L543-F548 HydrophobicContact CG-CD1 4.43Å; L543-F548 HydrophobicContact CG-CE1 4.26Å |
| 544 | S | 32.7 | Very low | 34.9 | Very low | 88 Ų | 88 | 103.6 Ų | 103.6 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6.5 | 179.8 | 54.3 | 0 | 0 | 0 | 0 | 114.8 | R541 Q542 | R541-S544 PolarHBondContact O-OG 3.29Å; Q542-S544 VanDerWaalsContact C-N 3.28Å; Q542-S544 PolarHBondContact O-N 2.56Å |
| 545 | D | 34.9 | Very low | 34.8 | Very low | 78 Ų | 78 | 98.9 Ų | 98.9 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | trans | -79.2 | 124.4 | -178.7 | -166.5 | -53.7 | 0 | 0 | 0 | 111.6 | L543 S547 F548 Q549 | L543-D545 VanDerWaalsContact C-N 3.29Å; L543-D545 PolarHBondContact O-N 2.79Å; D545-S547 VanDerWaalsContact CG-OG 3.3Å; D545-S547 PolarHBondContact O-N 3.28Å; D545-S547 WeakPolarHBondContact OD1-CB 3.23Å; D545-S547 PolarHBondContact OD1-N 3.27Å; D545-S547 PolarHBondContact OD1-OG 3.38Å; D545-F548 HydrophobicContact CB-CB 4.32Å; D545-F548 VanDerWaalsContact O-CB 3.28Å; D545-F548 WeakPolarHBondContact O-CB 3.41Å; D545-F548 PolarHBondContact O-N 3.5Å; D545-Q549 PolarHBondContact O-N 3.29Å | ||
| 546 | P | 37.1 | Very low | 34.8 | Very low | 101 Ų | 101 | 99.4 Ų | 99.4 | 66% | 0.656 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -20.6 | -179.5 | 26.3 | -34.7 | 0 | 0 | 0 | 113.9 | F548 S550 | P546-F548 VanDerWaalsContact C-N 3.33Å; P546-S550 PolarHBondContact O-N 3.08Å |
| 547 | S | 35.5 | Very low | 35 | Very low | 80 Ų | 80 | 102.1 Ų | 102.1 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -34.8 | 171.2 | 71.1 | 0 | 0 | 0 | 0 | 111.9 | D545 L551 | D545-S547 VanDerWaalsContact CG-OG 3.3Å; D545-S547 PolarHBondContact O-N 3.28Å; D545-S547 WeakPolarHBondContact OD1-CB 3.23Å; D545-S547 PolarHBondContact OD1-N 3.27Å; D545-S547 PolarHBondContact OD1-OG 3.38Å; S547-L551 PolarHBondContact O-N 3.31Å |
| 548 | F | 35 | Very low | 34.7 | Very low | 84 Ų | 84 | 106 Ų | 106 | 37% | 0.368 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | 178 | -157.2 | -104.6 | 0 | 0 | 0 | 111.3 | L543 D545 P546 S550 L551 I552 | L543-F548 HydrophobicContact CD1-CD1 4.35Å; L543-F548 HydrophobicContact CD1-CE1 3.76Å; L543-F548 HydrophobicContact CG-CD1 4.43Å; L543-F548 HydrophobicContact CG-CE1 4.26Å; D545-F548 HydrophobicContact CB-CB 4.32Å; D545-F548 VanDerWaalsContact O-CB 3.28Å; D545-F548 WeakPolarHBondContact O-CB 3.41Å; D545-F548 PolarHBondContact O-N 3.5Å; P546-F548 VanDerWaalsContact C-N 3.33Å; F548-S550 PolarHBondContact O-N 3.01Å; F548-L551 WeakPolarHBondContact O-CB 3.28Å; F548-L551 PolarHBondContact O-N 3.08Å; F548-L551 VanDerWaalsContact O-N 3.08Å; F548-I552 HydrophobicContact CD1-CD1 3.95Å; F548-I552 HydrophobicContact CE1-CD1 4.15Å; F548-I552 PolarHBondContact O-N 2.86Å |
| 549 | Q | 32.3 | Very low | 34.5 | Very low | 108 Ų | 108 | 105 Ų | 105 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 176.3 | -62 | -174 | 1.6 | 0 | 0 | 112.6 | D545 L551 I552 I553 | D545-Q549 PolarHBondContact O-N 3.29Å; Q549-L551 PolarHBondContact O-N 2.9Å; Q549-I552 PolarHBondContact O-N 3.28Å; Q549-I553 PolarHBondContact O-N 3.42Å |
| 550 | S | 36.5 | Very low | 34.3 | Very low | 57 Ų | 57 | 105.7 Ų | 105.7 | 40% | 0.399 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.7 | -30.4 | 172.9 | -165.4 | 0 | 0 | 0 | 0 | 112.9 | P546 F548 K554 | P546-S550 PolarHBondContact O-N 3.08Å; F548-S550 PolarHBondContact O-N 3.01Å; S550-K554 WeakPolarHBondContact O-CD 3.47Å; S550-K554 WeakPolarHBondContact O-CG 3.37Å |
| 551 | L | 33.8 | Very low | 34.4 | Very low | 99 Ų | 99 | 107.8 Ų | 107.8 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.8 | -47.5 | 178 | -148.7 | 83.2 | 0 | 0 | 0 | 111.2 | S547 F548 Q549 I553 K554 I555 | S547-L551 PolarHBondContact O-N 3.31Å; F548-L551 WeakPolarHBondContact O-CB 3.28Å; F548-L551 PolarHBondContact O-N 3.08Å; F548-L551 VanDerWaalsContact O-N 3.08Å; Q549-L551 PolarHBondContact O-N 2.9Å; L551-I553 PolarHBondContact O-N 3.27Å; L551-K554 PolarHBondContact O-N 3.05Å; L551-K554 VanDerWaalsContact O-N 3.09Å; L551-I555 HydrophobicContact CD2-CD1 4.25Å; L551-I555 HydrophobicContact CG-CD1 4.25Å; L551-I555 WeakPolarHBondContact O-CG1 3.46Å; L551-I555 PolarHBondContact O-N 3.23Å |
| 552 | I | 31.9 | Very low | 34.2 | Very low | 65 Ų | 65 | 102.3 Ų | 102.3 | 33% | 0.333 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.2 | -47.2 | -178.5 | -67.7 | 167.6 | 0 | 0 | 0 | 111.3 | F548 Q549 K554 I555 I556 | F548-I552 HydrophobicContact CD1-CD1 3.95Å; F548-I552 HydrophobicContact CE1-CD1 4.15Å; F548-I552 PolarHBondContact O-N 2.86Å; Q549-I552 PolarHBondContact O-N 3.28Å; I552-K554 VanDerWaalsContact C-N 3.26Å; I552-K554 PolarHBondContact O-N 2.74Å; I552-I555 PolarHBondContact O-N 2.95Å; I552-I555 VanDerWaalsContact O-N 3.13Å; I552-I556 HydrophobicContact CG2-CD1 3.93Å; I552-I556 WeakPolarHBondContact O-CG1 3.45Å; I552-I556 PolarHBondContact O-N 3.39Å; I552-I556 VanDerWaalsContact O-N 3.07Å |
| 553 | I | 37.3 | Very low | 34 | Very low | 99 Ų | 99 | 104.5 Ų | 104.5 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.1 | -31.7 | -179.5 | -64 | 170.5 | 0 | 0 | 0 | 112 | Q549 L551 R557 | Q549-I553 PolarHBondContact O-N 3.42Å; L551-I553 PolarHBondContact O-N 3.27Å; I553-R557 PolarHBondContact O-N 2.93Å |
| 554 | K | 36 | Very low | 34.1 | Very low | 137 Ų | 137 | 105.8 Ų | 105.8 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.9 | -30.2 | 176.4 | -71.8 | 169 | -178.9 | 159 | 0 | 112.8 | S550 L551 I552 K558 | S550-K554 WeakPolarHBondContact O-CD 3.47Å; S550-K554 WeakPolarHBondContact O-CG 3.37Å; L551-K554 PolarHBondContact O-N 3.05Å; L551-K554 VanDerWaalsContact O-N 3.09Å; I552-K554 VanDerWaalsContact C-N 3.26Å; I552-K554 PolarHBondContact O-N 2.74Å; K554-K558 PolarHBondContact O-N 2.97Å |
| 555 | I | 32.8 | Very low | 34.2 | Very low | 69 Ų | 69 | 107.3 Ų | 107.3 | 35% | 0.354 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.3 | -50.5 | 175.8 | -68.8 | 163.6 | 0 | 0 | 0 | 110 | L551 I552 R557 K558 V559 | L551-I555 HydrophobicContact CD2-CD1 4.25Å; L551-I555 HydrophobicContact CG-CD1 4.25Å; L551-I555 WeakPolarHBondContact O-CG1 3.46Å; L551-I555 PolarHBondContact O-N 3.23Å; I552-I555 PolarHBondContact O-N 2.95Å; I552-I555 VanDerWaalsContact O-N 3.13Å; I555-R557 VanDerWaalsContact C-N 3.25Å; I555-R557 PolarHBondContact O-N 3.06Å; I555-K558 PolarHBondContact O-N 3.4Å; I555-V559 HydrophobicContact CG2-CG2 4.25Å; I555-V559 PolarHBondContact O-N 3.15Å |
| 556 | I | 33.9 | Very low | 34.5 | Very low | 113 Ų | 113 | 109 Ų | 109 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -52.8 | -45 | 177.5 | -66.2 | 165.8 | 0 | 0 | 0 | 111 | I552 K558 V559 A560 | I552-I556 HydrophobicContact CG2-CD1 3.93Å; I552-I556 WeakPolarHBondContact O-CG1 3.45Å; I552-I556 PolarHBondContact O-N 3.39Å; I552-I556 VanDerWaalsContact O-N 3.07Å; I556-K558 PolarHBondContact O-N 3.15Å; I556-V559 PolarHBondContact O-N 3.08Å; I556-A560 PolarHBondContact O-N 2.84Å |
| 557 | R | 36.8 | Very low | 34.6 | Very low | 181 Ų | 181 | 111.5 Ų | 111.5 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.5 | -17.2 | -179.1 | -159.4 | 178.3 | -62.1 | 179.6 | -0.5 | 114.4 | I553 I555 | I553-R557 PolarHBondContact O-N 2.93Å; I555-R557 VanDerWaalsContact C-N 3.25Å; I555-R557 PolarHBondContact O-N 3.06Å |
| 558 | K | 32.4 | Very low | 34.8 | Very low | 146 Ų | 146 | 111.5 Ų | 111.5 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -95 | -36.8 | 174.6 | -90.4 | -168.5 | 167.4 | -168.1 | 0 | 113.4 | K554 I555 I556 A560 Q561 | K554-K558 PolarHBondContact O-N 2.97Å; I555-K558 PolarHBondContact O-N 3.4Å; I556-K558 PolarHBondContact O-N 3.15Å; K558-A560 PolarHBondContact O-N 3.39Å; K558-Q561 PolarHBondContact O-N 2.66Å |
| 559 | V | 30.5 | Very low | 35 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.1 | -37.5 | 176.6 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | I555 I556 Q561 S562 | I555-V559 HydrophobicContact CG2-CG2 4.25Å; I555-V559 PolarHBondContact O-N 3.15Å; I556-V559 PolarHBondContact O-N 3.08Å; V559-Q561 PolarHBondContact O-N 2.97Å; V559-S562 PolarHBondContact O-N 3.36Å |
| 560 | A | 32.6 | Very low | 35.3 | Very low | 89 Ų | 89 | 111.7 Ų | 111.7 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 3.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I556 K558 | I556-A560 PolarHBondContact O-N 2.84Å; K558-A560 PolarHBondContact O-N 3.39Å |
| 561 | Q | 36.4 | Very low | 35.4 | Very low | 158 Ų | 158 | 111.9 Ų | 111.9 | 74% | 0.738 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 3.7 | -179.2 | -62.3 | -170.3 | -43.5 | 0 | 0 | 113.9 | K558 V559 | K558-Q561 PolarHBondContact O-N 2.66Å; V559-Q561 PolarHBondContact O-N 2.97Å |
| 562 | S | 31.2 | Very low | 35.6 | Very low | 90 Ų | 90 | 112.1 Ų | 112.1 | 63% | 0.629 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -127.2 | 14.4 | -172.3 | 67.4 | 0 | 0 | 0 | 0 | 115.7 | V559 | V559-S562 PolarHBondContact O-N 3.36Š|
| 563 | Q | 32.1 | Very low | 35.7 | Very low | 175 Ų | 175 | 114 Ų | 114 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | trans | -104.2 | 100 | 170.8 | -77.1 | -169.7 | -29.2 | 0 | 0 | 110.9 | ||||
| 564 | T | 33.8 | Very low | 35.9 | Very low | 119 Ų | 119 | 115 Ų | 115 | 73% | 0.73 | 61% | 0.607 | S | S | * | * | trans | -146.4 | 71.1 | 171 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 565 | D | 36.1 | Very low | 35.9 | Very low | 120 Ų | 120 | 112.3 Ų | 112.3 | 64% | 0.642 | 61% | 0.61 | S | S | * | * | trans | -86.5 | 130.7 | 168.5 | -80.6 | -48.9 | 0 | 0 | 0 | 110.7 | E567 T568 V569 | D565-E567 PolarHBondContact O-N 3.44Å; D565-T568 PolarHBondContact O-N 2.94Å; D565-T568 VanDerWaalsContact O-N 3.17Å; D565-V569 WeakPolarHBondContact O-CG2 3.26Å; D565-V569 PolarHBondContact O-N 3.2Å | ||
| 566 | D | 40.5 | Very low | 35.8 | Very low | 112 Ų | 112 | 112.4 Ų | 112.4 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -13.5 | -171.9 | -104.8 | -16 | 0 | 0 | 0 | 113.6 | R588 | D566-R588 IonicContact OD2-NH2 3.34Š|
| 567 | E | 40.1 | Very low | 35.9 | Very low | 155 Ų | 155 | 115 Ų | 115 | 72% | 0.724 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -39.3 | 174.8 | -59 | -152.8 | 129.1 | 0 | 0 | 113.1 | D565 V569 K570 A571 | D565-E567 PolarHBondContact O-N 3.44Å; E567-V569 VanDerWaalsContact C-N 3.26Å; E567-V569 PolarHBondContact O-N 2.99Å; E567-K570 WeakPolarHBondContact O-CB 3.48Å; E567-K570 PolarHBondContact O-N 3.49Å; E567-A571 PolarHBondContact O-N 3.38Å |
| 568 | T | 38.8 | Very low | 35.8 | Very low | 79 Ų | 79 | 113 Ų | 113 | 49% | 0.485 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.1 | -36.9 | 171.3 | -34.1 | 0 | 0 | 0 | 0 | 110.5 | D565 K570 A571 I572 | D565-T568 PolarHBondContact O-N 2.94Å; D565-T568 VanDerWaalsContact O-N 3.17Å; T568-K570 PolarHBondContact O-N 3.47Å; T568-K570 VanDerWaalsContact C-N 3.28Å; T568-A571 PolarHBondContact O-N 2.91Å; T568-I572 HydrophobicContact CG2-CD1 4.08Å; T568-I572 WeakPolarHBondContact O-CB 3.33Å; T568-I572 VanDerWaalsContact O-CG1 3.29Å; T568-I572 WeakPolarHBondContact O-CG1 3.39Å; T568-I572 PolarHBondContact O-N 3.34Å |
| 569 | V | 38.6 | Very low | 35.6 | Very low | 55 Ų | 55 | 115.4 Ų | 115.4 | 33% | 0.333 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.4 | -33.9 | 172.2 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | D565 E567 N573 | D565-V569 WeakPolarHBondContact O-CG2 3.26Å; D565-V569 PolarHBondContact O-N 3.2Å; E567-V569 VanDerWaalsContact C-N 3.26Å; E567-V569 PolarHBondContact O-N 2.99Å; V569-N573 WeakPolarHBondContact CG1-ND2 3.29Å; V569-N573 WeakPolarHBondContact O-CB 3.23Å; V569-N573 PolarHBondContact O-N 3.01Å; V569-N573 PolarHBondContact O-ND2 3.35Å |
| 570 | K | 38.5 | Very low | 35.6 | Very low | 142 Ų | 142 | 117.3 Ų | 117.3 | 62% | 0.617 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.2 | -48.2 | 172 | -79.3 | 174.6 | 179.3 | 171.4 | 0 | 112.1 | E567 T568 I572 N573 T574 | E567-K570 WeakPolarHBondContact O-CB 3.48Å; E567-K570 PolarHBondContact O-N 3.49Å; T568-K570 PolarHBondContact O-N 3.47Å; T568-K570 VanDerWaalsContact C-N 3.28Å; K570-I572 VanDerWaalsContact C-N 3.27Å; K570-I572 PolarHBondContact O-N 2.86Å; K570-N573 PolarHBondContact O-N 3.42Å; K570-T574 VanDerWaalsContact O-OG1 3.12Å; K570-T574 PolarHBondContact O-OG1 3.29Å; K570-T574 PolarHBondContact O-N 3.39Å |
| 571 | A | 39.9 | Very low | 35.5 | Very low | 60 Ų | 60 | 116.2 Ų | 116.2 | 50% | 0.496 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -58.9 | -39.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E567 T568 T574 | E567-A571 PolarHBondContact O-N 3.38Å; T568-A571 PolarHBondContact O-N 2.91Å; A571-T574 WeakPolarHBondContact CA-OG1 3.41Å; A571-T574 PolarHBondContact O-OG1 3.01Å; A571-T574 PolarHBondContact O-N 3.01Å |
| 572 | I | 36.9 | Very low | 35 | Very low | 104 Ų | 104 | 119 Ų | 119 | 53% | 0.533 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -70.2 | -42.3 | 175.9 | -67.6 | 166.4 | 0 | 0 | 0 | 111.5 | T568 K570 T574 A575 S576 | T568-I572 HydrophobicContact CG2-CD1 4.08Å; T568-I572 WeakPolarHBondContact O-CB 3.33Å; T568-I572 VanDerWaalsContact O-CG1 3.29Å; T568-I572 WeakPolarHBondContact O-CG1 3.39Å; T568-I572 PolarHBondContact O-N 3.34Å; K570-I572 VanDerWaalsContact C-N 3.27Å; K570-I572 PolarHBondContact O-N 2.86Å; I572-T574 PolarHBondContact O-N 3.28Å; I572-A575 PolarHBondContact O-N 2.61Å; I572-S576 PolarHBondContact O-N 3.37Å |
| 573 | N | 35.3 | Very low | 35 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -65 | -22.8 | 176.4 | -81.5 | -57 | 0 | 0 | 0 | 113.6 | V569 K570 A575 | V569-N573 WeakPolarHBondContact CG1-ND2 3.29Å; V569-N573 WeakPolarHBondContact O-CB 3.23Å; V569-N573 PolarHBondContact O-N 3.01Å; V569-N573 PolarHBondContact O-ND2 3.35Å; K570-N573 PolarHBondContact O-N 3.42Å; N573-A575 VanDerWaalsContact C-N 3.35Å |
| 574 | T | 40.4 | Very low | 35 | Very low | 119 Ų | 119 | 116.7 Ų | 116.7 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -10.2 | 170.3 | 39.1 | 0 | 0 | 0 | 0 | 114.3 | K570 A571 I572 | K570-T574 VanDerWaalsContact O-OG1 3.12Å; K570-T574 PolarHBondContact O-OG1 3.29Å; K570-T574 PolarHBondContact O-N 3.39Å; A571-T574 WeakPolarHBondContact CA-OG1 3.41Å; A571-T574 PolarHBondContact O-OG1 3.01Å; A571-T574 PolarHBondContact O-N 3.01Å; I572-T574 PolarHBondContact O-N 3.28Å |
| 575 | A | 37.1 | Very low | 34.7 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 66% | 0.661 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -6.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | I572 N573 H577 | I572-A575 PolarHBondContact O-N 2.61Å; N573-A575 VanDerWaalsContact C-N 3.35Å; A575-H577 PolarHBondContact O-N 3.47Å |
| 576 | S | 30.8 | Very low | 34.4 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 50% | 0.497 | 69% | 0.687 | S | S | . | * | trans | -96.8 | 37.6 | -171.6 | 68.8 | 0 | 0 | 0 | 0 | 114.2 | I572 D578 | I572-S576 PolarHBondContact O-N 3.37Å; S576-D578 PolarHBondContact O-N 2.85Å | ||
| 577 | H | 34.1 | Very low | 33.8 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | trans | -83.9 | -4.1 | -165.7 | -135.6 | -64 | 0 | 0 | 0 | 115.5 | A575 | A575-H577 PolarHBondContact O-N 3.47Š| ||
| 578 | D | 34.7 | Very low | 33.1 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -117 | -5 | -165.9 | -70.3 | -56.4 | 0 | 0 | 0 | 116.9 | S576 | S576-D578 PolarHBondContact O-N 2.85Š|
| 579 | F | 29.2 | Very low | 32.6 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | -127.8 | 121.8 | -176.7 | -81.1 | -84.4 | 0 | 0 | 0 | 114.1 | ||||
| 580 | P | 30.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -87.9 | 144 | -174.6 | 33.8 | -34.8 | 0 | 0 | 0 | 113.5 | ||||
| 581 | G | 29.7 | Very low | 31.5 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 110.2 | 45.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 582 | F | 27.2 | Very low | 30.9 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 95% | 0.952 | 78% | 0.777 | S | S | * | * | trans | -156.6 | 117 | 149.3 | -112.1 | -76.2 | 0 | 0 | 0 | 111.2 | ||||
| 583 | A | 31.2 | Very low | 30.4 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -147 | 110.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 584 | P | 32.4 | Very low | 30 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -88.6 | 118.4 | 176.3 | 32.7 | -31.1 | 0 | 0 | 0 | 112.2 | V586 | P584-V586 PolarHBondContact O-N 2.75Š| ||
| 585 | R | 27.7 | Very low | 29.2 | Very low | 258 Ų | 258 | 147.9 Ų | 147.9 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | trans | -79.2 | 106.2 | 169.8 | -86.4 | -178.1 | 166.7 | 173.7 | -1.7 | 111 | ||||
| 586 | V | 28.9 | Very low | 28.8 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -112.8 | 118.2 | 169.5 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | P584 | P584-V586 PolarHBondContact O-N 2.75Š| ||
| 587 | K | 27.8 | Very low | 28.4 | Very low | 207 Ų | 207 | 153.4 Ų | 153.4 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | trans | -92.6 | 124.3 | 169.3 | -82.5 | -173.8 | 172.5 | -177.9 | 0 | 110 | ||||
| 588 | R | 25.5 | Very low | 28.1 | Very low | 223 Ų | 223 | 154 Ų | 154 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | trans | -66.8 | 137.5 | 166.7 | -76 | -179.3 | 173.9 | 163 | 1.3 | 110 | D566 | D566-R588 IonicContact OD2-NH2 3.34Š| ||
| 589 | Q | 28.4 | Very low | 27.6 | Very low | 199 Ų | 199 | 156.1 Ų | 156.1 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -137 | 150.3 | 149.9 | -158.7 | 165.8 | 0.2 | 0 | 0 | 108.8 | ||||
| 590 | R | 27 | Very low | 27.6 | Very low | 224 Ų | 224 | 153.4 Ų | 153.4 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -133.2 | 124.4 | -161.3 | 178.4 | -169 | -168.3 | 177.1 | 4.7 | 108.9 | ||||
| 591 | N | 27.1 | Very low | 27.3 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 172.3 | 154.4 | 138.5 | -89.9 | -11.9 | 0 | 0 | 0 | 114 | ||||
| 592 | S | 27.7 | Very low | 27.3 | Very low | 117 Ų | 117 | 157.4 Ų | 157.4 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 54.1 | 94.3 | 146.8 | -167.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 593 | G | 25.7 | Very low | 27.2 | Very low | 75 Ų | 75 | 151.5 Ų | 151.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | 60.9 | 96 | 124 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 594 | S | 26.4 | Very low | 27 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -164.1 | 151.4 | 143 | 41.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 595 | S | 25.3 | Very low | 26.9 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -76.8 | 125.1 | 171.6 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 596 | V | 27.3 | Very low | 26.9 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | trans | -114.2 | 115.4 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 597 | L | 23.4 | Very low | 26.9 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | -62.7 | 127.9 | 171.2 | -122.2 | 79.7 | 0 | 0 | 0 | 110.4 | K599 | L597-K599 PolarHBondContact O-N 3.2Š| ||
| 598 | F | 27.5 | Very low | 27 | Very low | 179 Ų | 179 | 141 Ų | 141 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -94.4 | 84.8 | 169.2 | -119.8 | -83.4 | 0 | 0 | 0 | 111.5 | L600 | F598-L600 HydrophobicContact CD1-CD1 4.34Å; F598-L600 HydrophobicContact CD1-CG 4.15Å; F598-L600 PolarHBondContact O-N 2.96Å | ||
| 599 | K | 24.5 | Very low | 27.1 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | -71.8 | 110.8 | 161.5 | -85.8 | -175.3 | 172.6 | -179 | 0 | 108.7 | L597 | L597-K599 PolarHBondContact O-N 3.2Š| ||
| 600 | L | 28.3 | Very low | 27.1 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | -99.4 | 106.8 | 166.5 | -94.4 | 164 | 0 | 0 | 0 | 110.3 | F598 L602 | F598-L600 HydrophobicContact CD1-CD1 4.34Å; F598-L600 HydrophobicContact CD1-CG 4.15Å; F598-L600 PolarHBondContact O-N 2.96Å; L600-L602 PolarHBondContact O-N 3.26Å | ||
| 601 | N | 24.4 | Very low | 27.2 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -83.9 | 99.5 | 177.6 | -174.5 | 27.8 | 0 | 0 | 0 | 109.8 | S603 | N601-S603 PolarHBondContact O-N 3.11Š| ||
| 602 | L | 30.4 | Very low | 27.3 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -94.7 | 61.3 | -179.2 | -89.2 | 163.1 | 0 | 0 | 0 | 111.9 | L600 S604 | L600-L602 PolarHBondContact O-N 3.26Å; L602-S604 VanDerWaalsContact C-N 3.35Å; L602-S604 PolarHBondContact O-N 2.86Å | ||
| 603 | S | 24.8 | Very low | 27.2 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -93.5 | 56 | 174.7 | 63.8 | 0 | 0 | 0 | 0 | 112 | N601 | N601-S603 PolarHBondContact O-N 3.11Š| ||
| 604 | S | 26.4 | Very low | 27.4 | Very low | 87 Ų | 87 | 135 Ų | 135 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | trans | -162.3 | 178.4 | 171.1 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | L602 | L602-S604 VanDerWaalsContact C-N 3.35Å; L602-S604 PolarHBondContact O-N 2.86Å | ||
| 605 | I | 29.9 | Very low | 27.6 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | 70.1 | 41.1 | -176 | -35.5 | 177.8 | 0 | 0 | 0 | 113.5 | ||||
| 606 | S | 28.1 | Very low | 27.7 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -80.7 | 128 | 146.5 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 607 | A | 28.5 | Very low | 28.1 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | 57.5 | 128.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 608 | T | 30.7 | Very low | 28.3 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 92% | 0.92 | 76% | 0.763 | S | S | * | * | -172.3 | 127.8 | 126.7 | 14.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 609 | K | 27.6 | Very low | 28.4 | Very low | 213 Ų | 213 | 134.5 Ų | 134.5 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | trans | -162.3 | 73 | 167.2 | -163.9 | -170.6 | -178.2 | -172.8 | 0 | 112.3 | ||||
| 610 | A | 28.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -167.1 | 153.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 611 | A | 29.6 | Very low | 28.7 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | trans | 52.1 | 98.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 612 | Q | 28 | Very low | 29.1 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | 59.4 | 117.9 | 119.8 | -70.4 | 169.9 | -82 | 0 | 0 | 123.5 | |||||
| 613 | Q | 26.3 | Very low | 29.1 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | 85.3 | 149 | 126.5 | -69.6 | 177.5 | -28.3 | 0 | 0 | 122.6 | |||||
| 614 | V | 29.9 | Very low | 29.5 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 82.1 | 131.3 | 169.2 | -162.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 615 | P | 30.9 | Very low | 29.7 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -127.9 | 149.3 | -169.3 | 41.4 | -26.3 | 0 | 0 | 0 | 118.4 | ||||
| 616 | F | 27.2 | Very low | 29.7 | Very low | 200 Ų | 200 | 134 Ų | 134 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | 60.5 | 171.2 | 145.2 | -79.3 | -51.8 | 0 | 0 | 0 | 120.8 | ||||
| 617 | P | 34.9 | Very low | 30 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | cis | -138.7 | -175.5 | -29.9 | 35.9 | -16.3 | 0 | 0 | 0 | 116.5 | ||||
| 618 | N | 27.1 | Very low | 30.2 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | 79.8 | 134.1 | 150.9 | -64.3 | -20.3 | 0 | 0 | 0 | 123.2 | ||||
| 619 | V | 30.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | 167 | 116.5 | 112 | 161.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 620 | N | 28.3 | Very low | 30.7 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 2.8 | 164.2 | 139.3 | -57.6 | -6.2 | 0 | 0 | 0 | 122 | ||||
| 621 | L | 29.8 | Very low | 31 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | cis | -165.4 | -171.3 | 2.1 | -144.2 | 76.2 | 0 | 0 | 0 | 112.7 | ||||
| 622 | V | 34.1 | Very low | 31.1 | Very low | 128 Ų | 128 | 141 Ų | 141 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 109.9 | 142.1 | 150.7 | -167 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 623 | D | 29.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -99 | -167.9 | -169.3 | -70.5 | -98 | 0 | 0 | 0 | 114 | ||||
| 624 | S | 33.2 | Very low | 31.8 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | cis | -164.2 | -159.8 | 26.6 | 76.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 625 | T | 30.5 | Very low | 31.9 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | -93.9 | 163.2 | -157.3 | 50.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 626 | L | 31.1 | Very low | 31.8 | Very low | 140 Ų | 140 | 137 Ų | 137 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | 164.5 | 137 | 114.5 | -87.3 | 162.3 | 0 | 0 | 0 | 118.3 | |||||
| 627 | K | 33.3 | Very low | 31.8 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 54.2 | 157.6 | 145.6 | -71.4 | 175.9 | 179.8 | 174.2 | 0 | 123 | ||||
| 628 | Q | 32.5 | Very low | 31.5 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | cis | -165.9 | 164.5 | -36.2 | -120 | 178.5 | -36.5 | 0 | 0 | 111.3 | ||||
| 629 | P | 38.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -128.9 | 175.3 | -165.8 | 44.7 | -32.7 | 0 | 0 | 0 | 118.9 | ||||
| 630 | M | 31.5 | Very low | 31.2 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -162 | 173.1 | 169.7 | -83 | -157 | 174.6 | 0 | 0 | 111.4 | ||||
| 631 | V | 33.4 | Very low | 31.3 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | cis | -167.5 | 113.2 | -28.1 | 144.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 632 | V | 32.5 | Very low | 31.1 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 84.1 | 148.1 | 114.3 | 176.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 633 | P | 38.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -133.7 | -151.3 | -147.2 | 47.4 | -31.1 | 0 | 0 | 0 | 117.4 | ||||
| 634 | A | 30.3 | Very low | 30.5 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 103 | 150.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 635 | A | 31.5 | Very low | 30.2 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | cis | -165.9 | 162.5 | -14.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 636 | K | 28.9 | Very low | 30.2 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 61.8 | 139.4 | 151.3 | -79.8 | -177.6 | 176.3 | -176.9 | 0 | 123.6 | ||||
| 637 | Q | 28.6 | Very low | 29.9 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 68.9 | 149.8 | 145.2 | -76.1 | 175 | -70.2 | 0 | 0 | 118.8 | ||||
| 638 | L | 26.5 | Very low | 29.7 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | cis | -160.4 | 162.7 | -17.3 | -167 | 77.5 | 0 | 0 | 0 | 109.2 | ||||
| 639 | T | 27.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 69.6 | 127 | 154.5 | 26.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 640 | N | 26.1 | Very low | 28.9 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 33.4 | 109.4 | 143.4 | -62.5 | -0.7 | 0 | 0 | 0 | 120.6 | ||||
| 641 | Q | 29.8 | Very low | 28.8 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | -154.4 | 161.3 | 124.8 | -116 | 172.1 | 29 | 0 | 0 | 112.6 | |||||
| 642 | T | 24.6 | Very low | 28.6 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -89.4 | 129.1 | -175.3 | 47.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 643 | S | 26.8 | Very low | 28.4 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -174.4 | 141.5 | 138.2 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 644 | Q | 25 | Very low | 28 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | 39.8 | 118.4 | 133.8 | -67.2 | 173.4 | -18.4 | 0 | 0 | 122.2 | ||||
| 645 | Y | 28.1 | Very low | 28.3 | Very low | 208 Ų | 208 | 155.3 Ų | 155.3 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | 71.2 | 165 | 140.3 | -76.3 | -58.9 | 0 | 0 | 0 | 117.4 | ||||
| 646 | P | 29.7 | Very low | 28.6 | Very low | 105 Ų | 105 | 156.2 Ų | 156.2 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | -118.9 | 162.5 | 19.9 | 41.8 | -29.5 | 0 | 0 | 0 | 118.1 | ||||
| 647 | S | 24.7 | Very low | 29.1 | Very low | 94 Ų | 94 | 152.8 Ų | 152.8 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -78.7 | 133.3 | 169 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | S649 | S647-S649 PolarHBondContact O-N 3.24Š| ||
| 648 | Y | 29.7 | Very low | 29.6 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -89.6 | 99.1 | 170.4 | -84.3 | -82.1 | 0 | 0 | 0 | 111.8 | ||||
| 649 | S | 26 | Very low | 30.5 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -86.3 | 107.9 | 172.7 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | S647 | S647-S649 PolarHBondContact O-N 3.24Š| ||
| 650 | W | 26.3 | Very low | 31.3 | Very low | 220 Ų | 220 | 153.3 Ų | 153.3 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -127.9 | 81.3 | 172.2 | -83 | 86.8 | 0 | 0 | 0 | 111 | ||||
| 651 | F | 29.5 | Very low | 32.2 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -174.7 | 126.1 | 146.8 | -98.7 | -63.7 | 0 | 0 | 0 | 109.4 | S653 | F651-S653 PolarHBondContact O-N 2.77Š| ||
| 652 | P | 29.9 | Very low | 32.9 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 107.5 | 179.5 | 30.6 | -33.1 | 0 | 0 | 0 | 111.6 | R654 | P652-R654 PolarHBondContact O-N 2.98Š| ||
| 653 | S | 28 | Very low | 33.9 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -79.4 | 97.3 | 177.6 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | F651 | F651-S653 PolarHBondContact O-N 2.77Š| ||
| 654 | R | 31.4 | Very low | 34.9 | Very low | 245 Ų | 245 | 147.1 Ų | 147.1 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -138.3 | 91.1 | 158.9 | -78.6 | -165.2 | 177.7 | -166.8 | 0.4 | 110.8 | P652 | P652-R654 PolarHBondContact O-N 2.98Š| ||
| 655 | F | 35.5 | Very low | 35.9 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 143.3 | 156.1 | -84.3 | -90.7 | 0 | 0 | 0 | 109.2 | ||
| 656 | P | 38.2 | Very low | 36.8 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 157.4 | 168.7 | 31.3 | -34.8 | 0 | 0 | 0 | 110.7 | ||
| 657 | P | 39.6 | Very low | 37.1 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 154.7 | 172.2 | 30 | -35.4 | 0 | 0 | 0 | 111.1 | ||
| 658 | P | 39.3 | Very low | 37.8 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 142.4 | 174.6 | 28.6 | -34.7 | 0 | 0 | 0 | 110.9 | ||
| 659 | M | 44.2 | Very low | 38 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 144.5 | 171.8 | -74.1 | -173.6 | -74.1 | 0 | 0 | 110.8 | ||
| 660 | P | 44 | Very low | 38.3 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 152.1 | 171.4 | 30 | -35 | 0 | 0 | 0 | 110.7 | ||
| 661 | P | 45.6 | Very low | 38.5 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 151.6 | 173.8 | 29.9 | -35.2 | 0 | 0 | 0 | 111 | ||
| 662 | P | 45 | Very low | 38.7 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 149.3 | 170.8 | 29.1 | -34.9 | 0 | 0 | 0 | 110.7 | ||
| 663 | P | 45.6 | Very low | 38.9 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66 | 150.4 | 176.1 | 29.2 | -35.1 | 0 | 0 | 0 | 111.1 | ||
| 664 | P | 47.4 | Very low | 39.5 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 147.6 | 174.7 | 29.6 | -34.9 | 0 | 0 | 0 | 111 | ||
| 665 | P | 47 | Very low | 39.6 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137.3 | 171.1 | 27.6 | -33.4 | 0 | 0 | 0 | 110.2 | ||
| 666 | A | 46.5 | Very low | 39.7 | Very low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 146.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S668 | A666-S668 PolarHBondContact O-N 3.35Š|
| 667 | P | 36 | Very low | 39.6 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -77.3 | 87.1 | 179 | 32.1 | -34.8 | 0 | 0 | 0 | 110.9 | L669 | P667-L669 PolarHBondContact O-N 2.99Å; P667-L669 VanDerWaalsContact O-N 3.14Å | ||
| 668 | S | 39.3 | Very low | 39.2 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -72.4 | 100.8 | 168.6 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | A666 D670 | A666-S668 PolarHBondContact O-N 3.35Å; S668-D670 PolarHBondContact O-N 3.31Å | ||
| 669 | L | 32.9 | Very low | 38.9 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 120.8 | 159.1 | -76.3 | 77 | 0 | 0 | 0 | 108.5 | P667 | P667-L669 PolarHBondContact O-N 2.99Å; P667-L669 VanDerWaalsContact O-N 3.14Å | ||
| 670 | D | 33.6 | Very low | 38.7 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -144.5 | 133.5 | 137.3 | -161.1 | -21.7 | 0 | 0 | 0 | 108.7 | S668 S672 | S668-D670 PolarHBondContact O-N 3.31Å; D670-S672 PolarHBondContact OD1-OG 3.14Å | ||
| 671 | S | 31.1 | Very low | 38.3 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -119.1 | 60.1 | -168.6 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 672 | S | 31.6 | Very low | 37.8 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 57% | 0.573 | 78% | 0.78 | S | S | * | * | trans | -156.6 | 95.2 | 173.8 | 59.7 | 0 | 0 | 0 | 0 | 116.1 | D670 | D670-S672 PolarHBondContact OD1-OG 3.14Š| ||
| 673 | R | 34.4 | Very low | 37.3 | Very low | 246 Ų | 246 | 134.2 Ų | 134.2 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | trans | -176 | 146.9 | 135.5 | -97.8 | 146.1 | -157 | -135.9 | 1.5 | 112.8 | ||||
| 674 | P | 40.6 | Very low | 36.6 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -84 | 162.3 | -177.8 | 35.1 | -36.3 | 0 | 0 | 0 | 113.1 | ||||
| 675 | P | 34.6 | Very low | 35.8 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -74.1 | 151.9 | 177.4 | 31.7 | -35.9 | 0 | 0 | 0 | 112.7 | ||||
| 676 | L | 37.9 | Very low | 35.2 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -109.4 | 152.8 | 168.3 | -77.2 | 170.8 | 0 | 0 | 0 | 110.9 | ||||
| 677 | P | 35.7 | Very low | 34.4 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -96 | 168.7 | -154.3 | 37.1 | -37.6 | 0 | 0 | 0 | 115.9 | ||||
| 678 | F | 31 | Very low | 34.3 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -56.2 | 154 | 168 | -88.3 | -104.6 | 0 | 0 | 0 | 113.5 | ||||
| 679 | N | 34 | Very low | 33.9 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -137.4 | 113.9 | 153.3 | -171.2 | 10.4 | 0 | 0 | 0 | 110.2 | ||||
| 680 | P | 38.3 | Very low | 33.7 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -109.3 | 139.4 | -176 | 37.2 | -29.6 | 0 | 0 | 0 | 114.1 | ||||
| 681 | Q | 36.6 | Very low | 33.6 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | -143.8 | 112.9 | 162.1 | -72.1 | -160.2 | 1.1 | 0 | 0 | 109.5 | ||||
| 682 | L | 34 | Very low | 33.6 | Very low | 140 Ų | 140 | 149 Ų | 149 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | 87.4 | 149.4 | 97.8 | -74.8 | 167.3 | 0 | 0 | 0 | 113.5 | |||||
| 683 | P | 35.6 | Very low | 33.6 | Very low | 103 Ų | 103 | 150 Ų | 150 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | cis | -133.9 | 165.7 | -20.2 | 37.2 | -19.9 | 0 | 0 | 0 | 115.8 | ||||
| 684 | H | 30.7 | Very low | 33.3 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | 20.5 | 128.8 | 154.1 | -56.7 | -64.1 | 0 | 0 | 0 | 122.9 | ||||
| 685 | Y | 31.6 | Very low | 32.8 | Very low | 232 Ų | 232 | 151.1 Ų | 151.1 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | -138.5 | 162.5 | 127.9 | -144.5 | -99.1 | 0 | 0 | 0 | 111.6 | |||||
| 686 | I | 34 | Very low | 32.7 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 65% | 0.651 | 80% | 0.795 | S | S | * | * | trans | -109.9 | 141.1 | -160.8 | -61.6 | 168.9 | 0 | 0 | 0 | 111.5 | ||||
| 687 | P | 29.4 | Very low | 32.3 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -89 | 117.8 | 174.8 | 33.3 | -32.2 | 0 | 0 | 0 | 113.3 | ||||
| 688 | T | 34 | Very low | 32.1 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -135.5 | 111.8 | 165.1 | 41.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 689 | Q | 31 | Very low | 32.1 | Very low | 173 Ų | 173 | 149.7 Ų | 149.7 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | 72.2 | 116.3 | 85.1 | -78 | -164.9 | -10.4 | 0 | 0 | 115.7 | |||||
| 690 | N | 28 | Very low | 31.8 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 37.2 | 92.4 | 148.7 | -69.7 | -6 | 0 | 0 | 0 | 119.5 | ||||
| 691 | I | 32.5 | Very low | 31.6 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -132.3 | 137 | 145.5 | -58.7 | -176.5 | 0 | 0 | 0 | 109.1 | ||||
| 692 | N | 30.6 | Very low | 31.3 | Very low | 150 Ų | 150 | 154.2 Ų | 154.2 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 162.8 | -178.7 | -95.7 | -40.5 | 0 | 0 | 0 | 113.1 | ||||
| 693 | P | 31.5 | Very low | 31 | Very low | 101 Ų | 101 | 155.3 Ų | 155.3 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -71 | 172.1 | -179.5 | 30.5 | -36.7 | 0 | 0 | 0 | 113.6 | ||
| 694 | F | 28.3 | Very low | 30.7 | Very low | 198 Ų | 198 | 155.6 Ų | 155.6 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | 72.6 | 83.5 | -178.7 | -62.1 | -90.5 | 0 | 0 | 0 | 116.8 | ||||
| 695 | M | 29.6 | Very low | 30.9 | Very low | 183 Ų | 183 | 155.9 Ų | 155.9 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | -162.6 | 119.2 | 124.3 | -112.8 | -174 | -72.2 | 0 | 0 | 112 | |||||
| 696 | L | 31.9 | Very low | 30.9 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -134.7 | 92.9 | 165.7 | -107.5 | 173.8 | 0 | 0 | 0 | 108.6 | ||||
| 697 | P | 30 | Very low | 30.6 | Very low | 92 Ų | 92 | 158.5 Ų | 158.5 | 60% | 0.597 | 82% | 0.816 | S | S | * | * | trans | -76.8 | 155.3 | 176.9 | 31.3 | -33.9 | 0 | 0 | 0 | 111.9 | ||||
| 698 | N | 32.3 | Very low | 30.8 | Very low | 158 Ų | 158 | 157.7 Ų | 157.7 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 69.8 | 33.1 | 158.7 | -57.2 | -30.4 | 0 | 0 | 0 | 119.7 | R700 | N698-R700 PolarHBondContact O-N 2.98Š| ||
| 699 | L | 29.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 164.7 Ų | 164.7 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | trans | -88.3 | 97.8 | 161 | -137.8 | 80 | 0 | 0 | 0 | 111.6 | L701 | L699-L701 PolarHBondContact O-N 3.38Å; L699-L701 VanDerWaalsContact O-N 3.15Å | ||
| 700 | R | 29 | Very low | 30.5 | Very low | 247 Ų | 247 | 164.3 Ų | 164.3 | 93% | 0.932 | 85% | 0.845 | S | S | * | * | trans | -75.2 | 96 | 172.8 | -75.4 | -175.1 | 176.7 | 179 | -0.2 | 110.7 | N698 | N698-R700 PolarHBondContact O-N 2.98Š| ||
| 701 | L | 32.6 | Very low | 30.7 | Very low | 152 Ų | 152 | 164.6 Ų | 164.6 | 80% | 0.796 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 134.9 | 166.2 | -76.9 | 166.1 | 0 | 0 | 0 | 110.5 | L699 N703 | L699-L701 PolarHBondContact O-N 3.38Å; L699-L701 VanDerWaalsContact O-N 3.15Å; L701-N703 PolarHBondContact O-N 3.46Å |
| 702 | P | 30.6 | Very low | 30.6 | Very low | 110 Ų | 110 | 164.2 Ų | 164.2 | 71% | 0.714 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 123.4 | 177.1 | 29.8 | -32.7 | 0 | 0 | 0 | 111.4 | P704 | P702-P704 WeakPolarHBondContact O-CD 3.14Š|
| 703 | N | 29.3 | Very low | 30.6 | Very low | 164 Ų | 164 | 165 Ų | 165 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 129 | 161.9 | -90.6 | -34.1 | 0 | 0 | 0 | 109.6 | L701 | L701-N703 PolarHBondContact O-N 3.46Š|
| 704 | P | 29.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 169 Ų | 169 | 71% | 0.708 | 86% | 0.857 | S | S | * | * | trans | -148.1 | 77.8 | 133.3 | 36.7 | -19 | 0 | 0 | 0 | 113.1 | P702 | P702-P704 WeakPolarHBondContact O-CD 3.14Š| ||
| 705 | F | 34 | Very low | 30.6 | Very low | 175 Ų | 175 | 167.1 Ų | 167.1 | 77% | 0.768 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -140.6 | 6.2 | 170.7 | -102.9 | -71.6 | 0 | 0 | 0 | 116.4 | ||
| 706 | F | 31.1 | Very low | 30.7 | Very low | 211 Ų | 211 | 165.9 Ų | 165.9 | 93% | 0.925 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -136.6 | 45.5 | -179.7 | -94.5 | -81 | 0 | 0 | 0 | 113.3 | ||
| 707 | Q | 28.2 | Very low | 30.6 | Very low | 203 Ų | 203 | 165.3 Ų | 165.3 | 95% | 0.949 | 85% | 0.849 | S | S | * | * | trans | -153.1 | 77.9 | 170.2 | -128.6 | 170.3 | 4.4 | 0 | 0 | 114.2 | ||||
| 708 | A | 33.8 | Very low | 30.7 | Very low | 103 Ų | 103 | 171.4 Ų | 171.4 | 85% | 0.851 | 87% | 0.87 | S | S | * | * | trans | -148.9 | 151.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 709 | Q | 28.5 | Very low | 30.5 | Very low | 266 Ų | 266 | 172.6 Ų | 172.6 | 100% | 1.243 | 87% | 0.872 | S | S | * | * | trans | -88.4 | 0 | -170 | -68.8 | -177.2 | -45.5 | 0 | 0 | 114.2 |
Retrieved 709 of 709 residues in 281.4 ms
(Link to these results)