| 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 | 59.7 | Low | 86 | Confident | 46 Ų | 46 | 45 Ų | 45 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | 0 | 163.3 | 0 | -67.9 | 161.3 | 70.9 | 0 | 0 | 111.6 | G3 P998 F1001 L1005 L1066 D1069 | M1-G3 PolarHBondContact O-N 3.1Å; M1-G3 VanDerWaalsContact O-N 3.17Å; M1-P998 HydrophobicContact CG-CB 4.33Å; M1-F1001 HydrophobicContact CE-CD1 3.41Å; M1-F1001 VanDerWaalsContact CE-CD1 3.41Å; M1-F1001 HydrophobicContact CE-CD2 4.1Å; M1-F1001 HydrophobicContact CE-CE1 3.39Å; M1-F1001 HydrophobicContact CE-CE2 4.04Å; M1-F1001 HydrophobicContact CE-CG 3.78Å; M1-F1001 HydrophobicContact CE-CZ 3.71Å; M1-F1001 HydrophobicContact CG-CD1 3.86Å; M1-F1001 HydrophobicContact CG-CE1 4.35Å; M1-F1001 HydrophobicContact SD-CD1 3.26Å; M1-F1001 WeakPolarHBondContact SD-CD1 3.06Å; M1-F1001 HydrophobicContact SD-CE1 3.16Å; M1-F1001 WeakPolarHBondContact SD-CE1 3.17Å; M1-F1001 HydrophobicContact SD-CG 4.2Å; M1-F1001 HydrophobicContact SD-CZ 4.02Å; M1-L1005 HydrophobicContact CE-CD2 4.19Å; M1-L1066 HydrophobicContact CE-CD2 3.52Å; M1-L1066 HydrophobicContact SD-CD2 4.19Å; M1-D1069 WeakPolarHBondContact CB-OD2 3.45Å; M1-D1069 HydrophobicContact CG-CB 4.49Å; M1-D1069 WeakPolarHBondContact CG-OD2 3.37Å; M1-D1069 PolarHBondContact N-OD2 3.18Å; M1-D1069 VanDerWaalsContact N-OD2 3.14Å; M1-D1069 HydrophobicContact SD-CB 3.43Å; M1-D1069 WeakPolarHBondContact SD-CB 3.48Å | |||
| 2 | K | 72.8 | Confident | 86.8 | Confident | 62 Ų | 62 | 43.3 Ų | 43.3 | 27% | 0.27 | 23% | 0.233 | S | C | . | . | trans | -85.6 | 55.1 | 168.9 | -72.8 | -173.2 | -177.9 | 173.5 | 0 | 111 | L4 T5 T463 E464 S1002 | K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.09Å; K2-T5 PolarHBondContact O-N 3.11Å; K2-T5 VanDerWaalsContact O-N 3.12Å; K2-T463 VanDerWaalsContact CD-O 3.29Å; K2-T463 WeakPolarHBondContact CD-O 3.24Å; K2-T463 PolarHBondContact NZ-O 3.4Å; K2-E464 PolarHBondContact NZ-O 2.73Å; K2-S1002 PolarHBondContact N-OG 3.31Å | ||
| 3 | G | 79.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 40 Ų | 40 | 12% | 0.124 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.5 | -38.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1 T5 V6 L7 | M1-G3 PolarHBondContact O-N 3.1Å; M1-G3 VanDerWaalsContact O-N 3.17Å; G3-T5 VanDerWaalsContact C-N 3.3Å; G3-T5 PolarHBondContact O-N 2.93Å; G3-V6 PolarHBondContact O-N 3.15Å; G3-L7 PolarHBondContact O-N 2.9Å; G3-L7 VanDerWaalsContact O-N 3.09Å |
| 4 | L | 84.8 | Confident | 88.3 | Confident | 147 Ų | 147 | 37.4 Ų | 37.4 | 77% | 0.77 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61 | -37.4 | 178.7 | -172.7 | 67.8 | 0 | 0 | 0 | 112.6 | K2 S8 | K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.09Å; L4-S8 WeakPolarHBondContact O-CB 3.22Å; L4-S8 PolarHBondContact O-N 3.34Å; L4-S8 PolarHBondContact O-OG 3.09Å |
| 5 | T | 87.9 | Confident | 88.8 | Confident | 47 Ų | 47 | 38.3 Ų | 38.3 | 29% | 0.288 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 178.5 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | K2 G3 S8 L9 | K2-T5 PolarHBondContact O-N 3.11Å; K2-T5 VanDerWaalsContact O-N 3.12Å; G3-T5 VanDerWaalsContact C-N 3.3Å; G3-T5 PolarHBondContact O-N 2.93Å; T5-S8 PolarHBondContact O-N 3.43Å; T5-S8 PolarHBondContact O-OG 2.9Å; T5-L9 HydrophobicContact CG2-CD1 4.03Å; T5-L9 WeakPolarHBondContact O-CG 3.3Å; T5-L9 PolarHBondContact O-N 3.23Å; T5-L9 VanDerWaalsContact O-N 3.08Å |
| 6 | V | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -51.8 | 177.7 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | G3 S8 L9 L10 L1006 V1062 | G3-V6 PolarHBondContact O-N 3.15Å; V6-S8 PolarHBondContact O-N 2.91Å; V6-L9 PolarHBondContact O-N 3.3Å; V6-L10 HydrophobicContact CG1-CD1 4Å; V6-L10 WeakPolarHBondContact O-CG 3.49Å; V6-L10 PolarHBondContact O-N 3.26Å; V6-L1006 HydrophobicContact CG1-CB 4.21Å; V6-L1006 HydrophobicContact CG1-CD1 4.28Å; V6-L1006 HydrophobicContact CG2-CB 4.38Å; V6-V1062 HydrophobicContact CG1-CG1 4.32Å |
| 7 | L | 92.9 | Very high | 89.8 | Confident | 34 Ų | 34 | 34.1 Ų | 34.1 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 179.6 | -70.8 | 174.6 | 0 | 0 | 0 | 112.3 | G3 L9 L10 L11 L1059 V1062 T1063 L1066 | G3-L7 PolarHBondContact O-N 2.9Å; G3-L7 VanDerWaalsContact O-N 3.09Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.08Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-L11 WeakPolarHBondContact O-CB 2.8Å; L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.29Å; L7-L11 PolarHBondContact O-N 3.11Å; L7-L1059 HydrophobicContact CD2-CD2 4.29Å; L7-V1062 HydrophobicContact CD2-CG1 3.86Å; L7-T1063 WeakPolarHBondContact CD2-OG1 3.41Å; L7-L1066 HydrophobicContact CD1-CD1 3.69Å; L7-L1066 HydrophobicContact CD2-CD1 4.19Å; L7-L1066 HydrophobicContact CG-CD1 3.66Å |
| 8 | S | 92.4 | Very high | 90.3 | Very high | 45 Ų | 45 | 36.1 Ų | 36.1 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 179.2 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | L4 T5 V6 W12 L470 | L4-S8 WeakPolarHBondContact O-CB 3.22Å; L4-S8 PolarHBondContact O-N 3.34Å; L4-S8 PolarHBondContact O-OG 3.09Å; T5-S8 PolarHBondContact O-N 3.43Å; T5-S8 PolarHBondContact O-OG 2.9Å; V6-S8 PolarHBondContact O-N 2.91Å; S8-W12 WeakPolarHBondContact O-CB 2.99Å; S8-W12 PolarHBondContact O-N 2.97Å; S8-L470 WeakPolarHBondContact O-CD1 3.35Å |
| 9 | L | 93.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 178 | -73.4 | 167.9 | 0 | 0 | 0 | 111.9 | T5 V6 L7 L13 M455 L470 L1006 | T5-L9 HydrophobicContact CG2-CD1 4.03Å; T5-L9 WeakPolarHBondContact O-CG 3.3Å; T5-L9 PolarHBondContact O-N 3.23Å; T5-L9 VanDerWaalsContact O-N 3.08Å; V6-L9 PolarHBondContact O-N 3.3Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.08Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 PolarHBondContact O-N 3.04Å; L9-L13 VanDerWaalsContact O-N 3.11Å; L9-M455 HydrophobicContact CB-CE 4.23Å; L9-M455 HydrophobicContact CB-SD 3.96Å; L9-M455 HydrophobicContact CD2-CE 4.1Å; L9-L470 HydrophobicContact CD2-CD1 4.11Å; L9-L470 HydrophobicContact CD2-CD2 3.87Å; L9-L470 HydrophobicContact CD2-CG 3.76Å; L9-L470 HydrophobicContact CG-CD1 4.45Å; L9-L1006 HydrophobicContact CB-CD1 4.13Å; L9-L1006 HydrophobicContact CD1-CD1 4.46Å; L9-L1006 HydrophobicContact CD1-CD2 3.69Å |
| 10 | L | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 176.8 | -66.1 | 175.4 | 0 | 0 | 0 | 111.8 | V6 L7 W12 L13 C14 L1006 T1010 L1013 L1059 V1062 | V6-L10 HydrophobicContact CG1-CD1 4Å; V6-L10 WeakPolarHBondContact O-CG 3.49Å; V6-L10 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.37Å; L10-W12 VanDerWaalsContact C-N 3.35Å; L10-W12 PolarHBondContact O-N 3.39Å; L10-L13 PolarHBondContact O-N 2.76Å; L10-C14 PolarHBondContact O-N 2.79Å; L10-C14 PolarHBondContact O-SG 3.32Å; L10-L1006 HydrophobicContact CD2-CD1 3.99Å; L10-L1006 HydrophobicContact CG-CD1 4.15Å; L10-T1010 HydrophobicContact CD2-CG2 3.86Å; L10-L1013 HydrophobicContact CD2-CD1 4.04Å; L10-L1059 HydrophobicContact CB-CD2 3.73Å; L10-L1059 HydrophobicContact CD1-CD2 4.25Å; L10-V1062 HydrophobicContact CD1-CG1 4.24Å; L10-V1062 HydrophobicContact CD1-CG2 4.32Å |
| 11 | L | 96 | Very high | 91.3 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60 | -44.2 | 177.8 | -76.8 | 168.1 | 0 | 0 | 0 | 112.2 | L7 L13 C14 A15 L1059 | L7-L11 WeakPolarHBondContact O-CB 2.8Å; L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.29Å; L7-L11 PolarHBondContact O-N 3.11Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.9Å; L11-C14 PolarHBondContact O-N 3.18Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 2.94Å; L11-L1059 HydrophobicContact CD2-CD1 3.6Å; L11-L1059 HydrophobicContact CD2-CD2 4.47Å; L11-L1059 HydrophobicContact CG-CD1 4.38Å; L11-L1059 HydrophobicContact CG-CD2 4.41Å |
| 12 | W | 96.1 | Very high | 93 | Very high | 25 Ų | 25 | 37 Ų | 37 | 10% | 0.095 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 175.8 | 169.6 | 79.8 | 0 | 0 | 0 | 112 | S8 L10 A15 A16 A451 M455 L470 S508 E509 F512 | S8-W12 WeakPolarHBondContact O-CB 2.99Å; S8-W12 PolarHBondContact O-N 2.97Å; L10-W12 VanDerWaalsContact C-N 3.35Å; L10-W12 PolarHBondContact O-N 3.39Å; W12-A15 PolarHBondContact O-N 3.34Å; W12-A16 PolarHBondContact O-N 3.34Å; W12-A451 HydrophobicContact CH2-CB 4.09Å; W12-A451 HydrophobicContact CZ3-CB 4.35Å; W12-M455 HydrophobicContact CE3-CE 3.77Å; W12-M455 HydrophobicContact CZ3-CE 3.59Å; W12-L470 HydrophobicContact CB-CD1 3.58Å; W12-L470 HydrophobicContact CB-CD2 3.92Å; W12-L470 HydrophobicContact CB-CG 4.39Å; W12-L470 HydrophobicContact CD2-CD2 3.52Å; W12-L470 HydrophobicContact CE3-CD2 3.97Å; W12-L470 HydrophobicContact CG-CD1 4.08Å; W12-L470 HydrophobicContact CG-CD2 3.48Å; W12-L470 VanDerWaalsContact CG-CD2 3.48Å; W12-L470 HydrophobicContact CG-CG 4.4Å; W12-S508 PolarHBondContact NE1-OG 3.19Å; W12-E509 HydrophobicContact CH2-CG 4.39Å; W12-E509 HydrophobicContact CZ2-CG 4.08Å; W12-F512 HydrophobicContact CH2-CB 3.7Å; W12-F512 AromaticContact CH2-CD1 3.57Å; W12-F512 HydrophobicContact CH2-CD1 3.57Å; W12-F512 HydrophobicContact CH2-CD2 4.08Å; W12-F512 HydrophobicContact CH2-CE1 4.21Å; W12-F512 AromaticContact CH2-CG 3.49Å; W12-F512 HydrophobicContact CH2-CG 3.49Å; W12-F512 VanDerWaalsContact CH2-CG 3.49Å; W12-F512 HydrophobicContact CZ2-CB 3.83Å; W12-F512 HydrophobicContact CZ2-CG 4.09Å; W12-F512 HydrophobicContact CZ3-CD1 4.05Å; W12-F512 HydrophobicContact CZ3-CD2 4.32Å; W12-F512 HydrophobicContact CZ3-CE1 4.23Å; W12-F512 HydrophobicContact CZ3-CE2 4.49Å; W12-F512 HydrophobicContact CZ3-CG 4.09Å; W12-F512 HydrophobicContact CZ3-CZ 4.45Å |
| 13 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 179.4 | -177.1 | 65.7 | 0 | 0 | 0 | 111.9 | L9 L10 L11 A15 A16 Y17 A451 C452 M455 T1010 L1013 | L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 PolarHBondContact O-N 3.04Å; L9-L13 VanDerWaalsContact O-N 3.11Å; L10-L13 PolarHBondContact O-N 2.76Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.9Å; L13-A15 VanDerWaalsContact C-N 3.29Å; L13-A15 PolarHBondContact O-N 3.48Å; L13-A16 PolarHBondContact O-N 3.07Å; L13-Y17 HydrophobicContact CD1-CD2 4.32Å; L13-Y17 HydrophobicContact CD1-CE2 4Å; L13-Y17 HydrophobicContact CG-CD2 4.19Å; L13-Y17 HydrophobicContact CG-CE2 4.04Å; L13-Y17 WeakPolarHBondContact O-CD2 3.31Å; L13-Y17 PolarHBondContact O-N 3.1Å; L13-Y17 VanDerWaalsContact O-N 3.14Å; L13-A451 HydrophobicContact CD1-CB 4.41Å; L13-C452 HydrophobicContact CD1-CB 3.97Å; L13-C452 HydrophobicContact CD2-CB 3.87Å; L13-C452 VanDerWaalsContact CD2-SG 3.58Å; L13-C452 HydrophobicContact CG-CB 4.44Å; L13-M455 HydrophobicContact CD2-SD 4.49Å; L13-T1010 HydrophobicContact CD2-CG2 4.25Å; L13-L1013 HydrophobicContact CD2-CD1 4.14Å |
| 14 | C | 97.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.1 | -43 | 174.2 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | L10 L11 A16 Y17 F18 C1055 | L10-C14 PolarHBondContact O-N 2.79Å; L10-C14 PolarHBondContact O-SG 3.32Å; L11-C14 PolarHBondContact O-N 3.18Å; C14-A16 VanDerWaalsContact C-N 3.35Å; C14-A16 PolarHBondContact O-N 3.26Å; C14-Y17 PolarHBondContact O-N 2.03Å; C14-F18 HydrophobicContact CB-CE2 4.31Å; C14-F18 HydrophobicContact CB-CZ 4.16Å; C14-F18 VanDerWaalsContact O-CD1 3.27Å; C14-F18 WeakPolarHBondContact O-CD1 3.44Å; C14-F18 WeakPolarHBondContact O-CG 3.48Å; C14-F18 PolarHBondContact O-N 3.35Å; C14-C1055 HydrophobicContact CB-CB 4.42Å; C14-C1055 VanDerWaalsContact SG-SG 3.6Å |
| 15 | A | 96.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 28 Ų | 28 | 41% | 0.413 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L11 W12 L13 F18 V19 | L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 2.94Å; W12-A15 PolarHBondContact O-N 3.34Å; L13-A15 VanDerWaalsContact C-N 3.29Å; L13-A15 PolarHBondContact O-N 3.48Å; A15-F18 PolarHBondContact O-N 2.79Å; A15-V19 WeakPolarHBondContact O-CG2 3.32Å; A15-V19 PolarHBondContact O-N 2.95Å |
| 16 | A | 96.8 | Very high | 95 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 5% | 0.05 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W12 L13 C14 F18 V19 G20 V444 A448 E509 | W12-A16 PolarHBondContact O-N 3.34Å; L13-A16 PolarHBondContact O-N 3.07Å; C14-A16 VanDerWaalsContact C-N 3.35Å; C14-A16 PolarHBondContact O-N 3.26Å; A16-F18 PolarHBondContact O-N 2.81Å; A16-V19 PolarHBondContact O-N 3.42Å; A16-G20 PolarHBondContact O-N 3.33Å; A16-V444 WeakPolarHBondContact O-CG1 3.32Å; A16-A448 HydrophobicContact CB-CB 4.33Å; A16-E509 HydrophobicContact CB-CG 4.24Å |
| 17 | Y | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.7 | -83.1 | -74.8 | 0 | 0 | 0 | 112.5 | L13 C14 V19 G20 I21 L445 A448 C449 C452 F1051 | L13-Y17 HydrophobicContact CD1-CD2 4.32Å; L13-Y17 HydrophobicContact CD1-CE2 4Å; L13-Y17 HydrophobicContact CG-CD2 4.19Å; L13-Y17 HydrophobicContact CG-CE2 4.04Å; L13-Y17 WeakPolarHBondContact O-CD2 3.31Å; L13-Y17 PolarHBondContact O-N 3.1Å; L13-Y17 VanDerWaalsContact O-N 3.14Å; C14-Y17 PolarHBondContact O-N 2.03Å; Y17-V19 VanDerWaalsContact C-N 3.34Å; Y17-V19 PolarHBondContact O-N 3.02Å; Y17-G20 PolarHBondContact O-N 3.09Å; Y17-I21 WeakPolarHBondContact O-CG1 3.48Å; Y17-I21 PolarHBondContact O-N 2.79Å; Y17-L445 HydrophobicContact CD1-CD2 3.71Å; Y17-L445 HydrophobicContact CE1-CD2 4.42Å; Y17-A448 HydrophobicContact CD1-CB 3.97Å; Y17-A448 HydrophobicContact CD2-CB 4.09Å; Y17-A448 HydrophobicContact CE1-CB 3.92Å; Y17-A448 HydrophobicContact CE2-CB 4.06Å; Y17-A448 HydrophobicContact CG-CB 4.05Å; Y17-C449 VanDerWaalsContact OH-CA 3.26Å; Y17-C449 WeakPolarHBondContact OH-CA 3.33Å; Y17-C449 PolarHBondContact OH-N 3.24Å; Y17-C449 PolarHBondContact OH-SG 3Å; Y17-C452 HydrophobicContact CE2-CB 4.23Å; Y17-F1051 VanDerWaalsContact CB-CE1 3.42Å; Y17-F1051 HydrophobicContact CD1-CE1 4.23Å; Y17-F1051 AromaticContact CD1-CZ 3.91Å; Y17-F1051 HydrophobicContact CD1-CZ 3.91Å; Y17-F1051 HydrophobicContact CD2-CE1 4.2Å; Y17-F1051 AromaticContact CD2-CZ 3.6Å; Y17-F1051 HydrophobicContact CD2-CZ 3.6Å; Y17-F1051 HydrophobicContact CE1-CZ 4.39Å; Y17-F1051 HydrophobicContact CE2-CZ 4.1Å; Y17-F1051 AromaticContact CG-CE1 3.73Å; Y17-F1051 HydrophobicContact CG-CE1 3.73Å; Y17-F1051 HydrophobicContact CG-CE2 4.5Å; Y17-F1051 AromaticContact CG-CZ 3.48Å; Y17-F1051 HydrophobicContact CG-CZ 3.48Å; Y17-F1051 VanDerWaalsContact CG-CZ 3.48Å |
| 18 | F | 97.7 | Very high | 94.5 | Very high | 69 Ų | 69 | 26.3 Ų | 26.3 | 30% | 0.303 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.5 | -40.1 | -179.7 | -63.5 | -10.9 | 0 | 0 | 0 | 112.1 | C14 A15 A16 I21 Y22 F1051 V1052 C1055 | C14-F18 HydrophobicContact CB-CE2 4.31Å; C14-F18 HydrophobicContact CB-CZ 4.16Å; C14-F18 VanDerWaalsContact O-CD1 3.27Å; C14-F18 WeakPolarHBondContact O-CD1 3.44Å; C14-F18 WeakPolarHBondContact O-CG 3.48Å; C14-F18 PolarHBondContact O-N 3.35Å; A15-F18 PolarHBondContact O-N 2.79Å; A16-F18 PolarHBondContact O-N 2.81Å; F18-I21 PolarHBondContact O-N 2.74Å; F18-Y22 WeakPolarHBondContact O-CB 3.21Å; F18-Y22 PolarHBondContact O-N 3.33Å; F18-F1051 HydrophobicContact CD1-CE1 4.36Å; F18-F1051 HydrophobicContact CE1-CD1 4.16Å; F18-F1051 HydrophobicContact CE1-CE1 4.03Å; F18-V1052 HydrophobicContact CD1-CG2 3.86Å; F18-V1052 HydrophobicContact CE1-CB 4.09Å; F18-V1052 HydrophobicContact CE1-CG1 4.25Å; F18-V1052 HydrophobicContact CE1-CG2 3.61Å; F18-V1052 HydrophobicContact CZ-CB 4.38Å; F18-V1052 HydrophobicContact CZ-CG1 4.09Å; F18-V1052 HydrophobicContact CZ-CG2 4.27Å; F18-C1055 HydrophobicContact CE1-CB 4.23Å; F18-C1055 HydrophobicContact CZ-CB 3.89Å |
| 19 | V | 97.4 | Very high | 94 | Very high | 25 Ų | 25 | 25.7 Ų | 25.7 | 15% | 0.152 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | A15 A16 Y17 Y22 L23 V444 L501 A505 | A15-V19 WeakPolarHBondContact O-CG2 3.32Å; A15-V19 PolarHBondContact O-N 2.95Å; A16-V19 PolarHBondContact O-N 3.42Å; Y17-V19 VanDerWaalsContact C-N 3.34Å; Y17-V19 PolarHBondContact O-N 3.02Å; V19-Y22 PolarHBondContact O-N 2.97Å; V19-L23 HydrophobicContact CG1-CD1 3.76Å; V19-L23 HydrophobicContact CG1-CG 4.35Å; V19-L23 WeakPolarHBondContact O-CB 3.49Å; V19-L23 VanDerWaalsContact O-CG 3.23Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L23 PolarHBondContact O-N 2.96Å; V19-V444 HydrophobicContact CG1-CG1 4.45Å; V19-L501 HydrophobicContact CG1-CB 4.03Å; V19-L501 HydrophobicContact CG2-CB 4.47Å; V19-A505 HydrophobicContact CB-CB 4.32Å; V19-A505 HydrophobicContact CG1-CB 3.87Å |
| 20 | G | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A16 Y17 F24 G441 | A16-G20 PolarHBondContact O-N 3.33Å; Y17-G20 PolarHBondContact O-N 3.09Å; G20-F24 PolarHBondContact O-N 2.77Å; G20-F24 VanDerWaalsContact O-N 3.08Å; G20-G441 WeakPolarHBondContact O-CA 3.4Å |
| 21 | I | 97.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.082 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -50.4 | 174.9 | -67.6 | 167.5 | 0 | 0 | 0 | 110.2 | Y17 F18 L23 F24 V25 L445 V1020 A1048 F1051 | Y17-I21 WeakPolarHBondContact O-CG1 3.48Å; Y17-I21 PolarHBondContact O-N 2.79Å; F18-I21 PolarHBondContact O-N 2.74Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.37Å; I21-F24 PolarHBondContact O-N 3.13Å; I21-V25 HydrophobicContact CG2-CG2 4.02Å; I21-V25 WeakPolarHBondContact O-CB 3.39Å; I21-V25 VanDerWaalsContact O-CG2 3.3Å; I21-V25 WeakPolarHBondContact O-CG2 3.3Å; I21-V25 PolarHBondContact O-N 3.23Å; I21-L445 HydrophobicContact CG1-CD2 4.15Å; I21-V1020 HydrophobicContact CD1-CG1 3.91Å; I21-V1020 HydrophobicContact CG1-CG1 3.84Å; I21-A1048 HydrophobicContact CD1-CB 4.42Å; I21-A1048 HydrophobicContact CG2-CB 3.81Å; I21-F1051 HydrophobicContact CD1-CD1 3.94Å |
| 22 | Y | 95.3 | Very high | 90.6 | Very high | 134 Ų | 134 | 24.1 Ų | 24.1 | 53% | 0.525 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -57 | -45.5 | -179.2 | 169.9 | -103.1 | 0 | 0 | 0 | 112 | F18 V19 G26 A498 | F18-Y22 WeakPolarHBondContact O-CB 3.21Å; F18-Y22 PolarHBondContact O-N 3.33Å; V19-Y22 PolarHBondContact O-N 2.97Å; Y22-G26 PolarHBondContact O-N 2.84Å; Y22-A498 HydrophobicContact CE1-CB 4.23Å |
| 23 | L | 95.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 177.8 | -71.5 | 168.1 | 0 | 0 | 0 | 112.2 | V19 I21 G27 A440 V444 A498 A502 | V19-L23 HydrophobicContact CG1-CD1 3.76Å; V19-L23 HydrophobicContact CG1-CG 4.35Å; V19-L23 WeakPolarHBondContact O-CB 3.49Å; V19-L23 VanDerWaalsContact O-CG 3.23Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L23 PolarHBondContact O-N 2.96Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.37Å; L23-G27 PolarHBondContact O-N 3.17Å; L23-G27 VanDerWaalsContact O-N 3.14Å; L23-A440 HydrophobicContact CD1-CB 4.5Å; L23-V444 HydrophobicContact CD1-CG2 4.22Å; L23-A498 HydrophobicContact CD2-CB 3.88Å; L23-A498 WeakPolarHBondContact CD2-O 3.3Å; L23-A502 HydrophobicContact CD1-CB 3.49Å; L23-A502 VanDerWaalsContact CD1-CB 3.49Å; L23-A502 HydrophobicContact CD2-CB 4.15Å; L23-A502 HydrophobicContact CG-CB 4.47Å |
| 24 | F | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.3 | -51.8 | -179.4 | -174.5 | -92 | 0 | 0 | 0 | 111.4 | G20 I21 G26 G27 F28 M438 L442 V1024 A1027 A1028 L1044 | G20-F24 PolarHBondContact O-N 2.77Å; G20-F24 VanDerWaalsContact O-N 3.08Å; I21-F24 PolarHBondContact O-N 3.13Å; F24-G26 VanDerWaalsContact C-N 3.31Å; F24-G26 PolarHBondContact O-N 2.97Å; F24-G27 CarbonylContact O-C 3.38Å; F24-G27 PolarHBondContact O-N 3.39Å; F24-F28 HydrophobicContact CD1-CB 4.06Å; F24-F28 HydrophobicContact CE1-CB 3.73Å; F24-F28 HydrophobicContact CE1-CD1 4.3Å; F24-F28 HydrophobicContact CE1-CD2 4.2Å; F24-F28 AromaticContact CE1-CG 3.81Å; F24-F28 HydrophobicContact CE1-CG 3.81Å; F24-F28 HydrophobicContact CZ-CB 4.21Å; F24-F28 HydrophobicContact CZ-CD2 4.24Å; F24-F28 HydrophobicContact CZ-CG 4.27Å; F24-F28 WeakPolarHBondContact O-CB 3.33Å; F24-F28 PolarHBondContact O-N 2.65Å; F24-M438 HydrophobicContact CD2-CB 3.96Å; F24-M438 HydrophobicContact CD2-CG 4.25Å; F24-M438 WeakPolarHBondContact CD2-O 3.2Å; F24-M438 HydrophobicContact CE2-CB 3.9Å; F24-M438 HydrophobicContact CE2-CE 3.77Å; F24-M438 HydrophobicContact CE2-CG 4.11Å; F24-M438 HydrophobicContact CZ-CE 3.79Å; F24-L442 HydrophobicContact CD2-CG 4.12Å; F24-L442 HydrophobicContact CE2-CD1 4.16Å; F24-L442 HydrophobicContact CE2-CG 4.15Å; F24-V1024 HydrophobicContact CB-CG1 4.29Å; F24-V1024 HydrophobicContact CD1-CB 4.31Å; F24-V1024 HydrophobicContact CD1-CG1 3.78Å; F24-V1024 HydrophobicContact CD1-CG2 3.9Å; F24-V1024 HydrophobicContact CD2-CG1 3.4Å; F24-V1024 HydrophobicContact CE1-CB 4.35Å; F24-V1024 HydrophobicContact CE1-CG1 3.91Å; F24-V1024 HydrophobicContact CE1-CG2 4.31Å; F24-V1024 HydrophobicContact CE2-CG1 3.54Å; F24-V1024 HydrophobicContact CG-CB 4.46Å; F24-V1024 HydrophobicContact CG-CG1 3.52Å; F24-V1024 HydrophobicContact CG-CG2 4.2Å; F24-V1024 HydrophobicContact CZ-CG1 3.78Å; F24-V1024 WeakPolarHBondContact CZ-O 3.32Å; F24-A1027 HydrophobicContact CE1-CB 4.19Å; F24-A1027 HydrophobicContact CZ-CB 4.32Å; F24-A1028 HydrophobicContact CE2-CB 3.86Å; F24-A1028 HydrophobicContact CZ-CB 3.86Å; F24-L1044 HydrophobicContact CD1-CD2 3.98Å; F24-L1044 HydrophobicContact CE1-CD2 3.64Å |
| 25 | V | 91.2 | Very high | 87.9 | Confident | 29 Ų | 29 | 27.6 Ų | 27.6 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 179.6 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | I21 G27 F28 L29 L1045 | I21-V25 HydrophobicContact CG2-CG2 4.02Å; I21-V25 WeakPolarHBondContact O-CB 3.39Å; I21-V25 VanDerWaalsContact O-CG2 3.3Å; I21-V25 WeakPolarHBondContact O-CG2 3.3Å; I21-V25 PolarHBondContact O-N 3.23Å; V25-G27 PolarHBondContact O-N 2.96Å; V25-F28 PolarHBondContact O-N 3.2Å; V25-L29 HydrophobicContact CG1-CD1 3.46Å; V25-L29 VanDerWaalsContact CG1-CD1 3.46Å; V25-L29 HydrophobicContact CG1-CG 3.81Å; V25-L29 PolarHBondContact O-N 3.44Å; V25-L1045 HydrophobicContact CG1-CD2 4.25Å |
| 26 | G | 85.3 | Confident | 87.3 | Confident | 42 Ų | 42 | 31.3 Ų | 31.3 | 43% | 0.433 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70.9 | -8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y22 F24 | Y22-G26 PolarHBondContact O-N 2.84Å; F24-G26 VanDerWaalsContact C-N 3.31Å; F24-G26 PolarHBondContact O-N 2.97Å |
| 27 | G | 87.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -105.4 | -19.7 | 168 | 0 | 0 | 0 | 0 | 0 | 114.2 | L23 F24 V25 F433 N434 | L23-G27 PolarHBondContact O-N 3.17Å; L23-G27 VanDerWaalsContact O-N 3.14Å; F24-G27 CarbonylContact O-C 3.38Å; F24-G27 PolarHBondContact O-N 3.39Å; V25-G27 PolarHBondContact O-N 2.96Å; G27-F433 WeakPolarHBondContact O-CA 3.4Å; G27-N434 PolarHBondContact O-N 2.93Å |
| 28 | F | 86.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -97.8 | -41.7 | -175.1 | 174.9 | -101.4 | 0 | 0 | 0 | 113.1 | F24 V25 F433 M438 A1027 R1031 V1036 W1037 A1041 L1044 | F24-F28 HydrophobicContact CD1-CB 4.06Å; F24-F28 HydrophobicContact CE1-CB 3.73Å; F24-F28 HydrophobicContact CE1-CD1 4.3Å; F24-F28 HydrophobicContact CE1-CD2 4.2Å; F24-F28 AromaticContact CE1-CG 3.81Å; F24-F28 HydrophobicContact CE1-CG 3.81Å; F24-F28 HydrophobicContact CZ-CB 4.21Å; F24-F28 HydrophobicContact CZ-CD2 4.24Å; F24-F28 HydrophobicContact CZ-CG 4.27Å; F24-F28 WeakPolarHBondContact O-CB 3.33Å; F24-F28 PolarHBondContact O-N 2.65Å; V25-F28 PolarHBondContact O-N 3.2Å; F28-F433 HydrophobicContact CD2-CD1 4.3Å; F28-F433 HydrophobicContact CD2-CE1 4.02Å; F28-F433 HydrophobicContact CE2-CE1 4.15Å; F28-F433 VanDerWaalsContact O-CD1 3.22Å; F28-F433 WeakPolarHBondContact O-CD1 3.21Å; F28-F433 WeakPolarHBondContact O-CE1 3.24Å; F28-M438 HydrophobicContact CB-CE 4.4Å; F28-M438 HydrophobicContact CB-CG 4.29Å; F28-M438 HydrophobicContact CB-SD 4.39Å; F28-M438 HydrophobicContact CD2-CE 3.88Å; F28-A1027 HydrophobicContact CE1-CB 4.27Å; F28-A1027 HydrophobicContact CE2-CB 3.99Å; F28-A1027 WeakPolarHBondContact CE2-O 3.48Å; F28-A1027 HydrophobicContact CZ-CB 3.84Å; F28-R1031 HydrophobicContact CE2-CB 4.07Å; F28-V1036 HydrophobicContact CE2-CG2 4.22Å; F28-V1036 HydrophobicContact CZ-CG2 3.84Å; F28-W1037 HydrophobicContact CE1-CZ3 4.25Å; F28-W1037 HydrophobicContact CZ-CZ3 4.39Å; F28-A1041 HydrophobicContact CE1-CB 3.7Å; F28-A1041 HydrophobicContact CZ-CB 4.04Å; F28-L1044 HydrophobicContact CD1-CD2 3.89Å; F28-L1044 HydrophobicContact CE1-CD2 4.02Å |
| 29 | L | 80.3 | Confident | 86.3 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | trans | -78.8 | 134.7 | -179.7 | -65.8 | -174.1 | 0 | 0 | 0 | 111.5 | V25 V31 W1037 L1045 | V25-L29 HydrophobicContact CG1-CD1 3.46Å; V25-L29 VanDerWaalsContact CG1-CD1 3.46Å; V25-L29 HydrophobicContact CG1-CG 3.81Å; V25-L29 PolarHBondContact O-N 3.44Å; L29-V31 HydrophobicContact CB-CG2 3.83Å; L29-W1037 HydrophobicContact CD2-CZ3 4.34Å; L29-L1045 HydrophobicContact CD1-CD1 4.1Å; L29-L1045 HydrophobicContact CD1-CD2 3.88Å; L29-L1045 HydrophobicContact CD2-CD1 4.14Å | ||
| 30 | L | 73.1 | Confident | 85.9 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | -94.3 | 101.2 | 172.4 | -58.3 | -177 | 0 | 0 | 0 | 107.8 | T134 F135 V136 W430 R432 F433 W1037 | L30-T134 HydrophobicContact CB-CG2 4.41Å; L30-T134 WeakPolarHBondContact O-CB 3.13Å; L30-F135 PolarHBondContact O-N 2.79Å; L30-V136 PolarHBondContact O-N 3.04Å; L30-W430 WeakPolarHBondContact CB-O 3.31Å; L30-R432 WeakPolarHBondContact CD2-O 3.42Å; L30-F433 HydrophobicContact CD2-CD1 4.46Å; L30-W1037 HydrophobicContact CD1-CH2 4.39Å; L30-W1037 HydrophobicContact CD1-CZ2 4.05Å; L30-W1037 HydrophobicContact CG-CH2 4.21Å; L30-W1037 HydrophobicContact CG-CZ2 4.37Å | ||
| 31 | V | 67.3 | Low | 85.2 | Confident | 57 Ų | 57 | 41.5 Ų | 41.5 | 35% | 0.345 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 136.2 | -173 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | L29 V136 V138 | L29-V31 HydrophobicContact CB-CG2 3.83Å; V31-V136 HydrophobicContact CG2-CB 4.37Å; V31-V138 HydrophobicContact CG1-CG2 3.73Å |
| 32 | R | 75.1 | Confident | 84.2 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147 | 171.4 | -173.1 | -169.6 | 72.9 | 175.7 | 14.2 | 109 | S131 L132 T134 V138 E149 Y371 W430 | R32-S131 PolarHBondContact NH1-OG 3.2Å; R32-L132 PolarHBondContact NH1-O 3.04Å; R32-T134 HydrophobicContact CB-CG2 3.69Å; R32-T134 WeakPolarHBondContact CB-OG1 3.43Å; R32-V138 PolarHBondContact O-N 3.14Å; R32-E149 IonicContact CZ-OE2 2.81Å; R32-E149 VanDerWaalsContact NH2-CD 3.29Å; R32-E149 IonicContact NH2-OE1 3.46Å; R32-E149 PolarHBondContact NH2-OE1 3.39Å; R32-E149 IonicContact NH2-OE2 3.25Å; R32-E149 PolarHBondContact NH2-OE2 3.08Å; R32-Y371 HydrophobicContact CG-CE2 4.01Å; R32-W430 HydrophobicContact CB-CD2 4.42Å; R32-W430 HydrophobicContact CB-CG 4.29Å; R32-W430 HydrophobicContact CG-CD2 3.87Å; R32-W430 HydrophobicContact CG-CE3 4.11Å; R32-W430 HydrophobicContact CG-CG 4.25Å; R32-W430 HydrophobicContact CG-CZ2 4.32Å; R32-W430 HydrophobicContact CG-CZ3 4.42Å |
| 33 | L | 75 | Confident | 83.3 | Confident | 56 Ų | 56 | 44 Ų | 44 | 29% | 0.293 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.7 | 170.2 | -174 | 73 | 0 | 0 | 0 | 109.8 | Y371 L374 | L33-Y371 HydrophobicContact CB-CE2 4.14Å; L33-L374 HydrophobicContact CD2-CB 3.78Å |
| 34 | E | 77.2 | Confident | 81.8 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | trans | -78.4 | 130.7 | 171.7 | -71.5 | -176.1 | 162.1 | 0 | 0 | 111.3 | K125 D137 V138 | E34-K125 IonicContact OE1-NZ 3.6Å; E34-K125 PolarHBondContact OE1-NZ 2.73Å; E34-D137 HydrophobicContact CG-CB 3.82Å; E34-D137 VanDerWaalsContact OE1-CB 3.24Å; E34-D137 WeakPolarHBondContact OE1-CB 3.46Å; E34-V138 PolarHBondContact N-O 3.15Å | ||
| 35 | V | 81 | Confident | 79.8 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | trans | -102.6 | 112.4 | 178.1 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | R37 F327 F367 T370 Y371 L374 | V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 HydrophobicContact CG1-CB 4.2Å; V35-R37 HydrophobicContact CG1-CG 3.89Å; V35-R37 PolarHBondContact O-N 2.95Å; V35-F327 HydrophobicContact CB-CE1 4.49Å; V35-F327 HydrophobicContact CG1-CD1 4.36Å; V35-F327 HydrophobicContact CG1-CE1 3.81Å; V35-F367 HydrophobicContact CG2-CE2 4.26Å; V35-T370 HydrophobicContact CG1-CG2 4.09Å; V35-Y371 HydrophobicContact CG2-CD2 3.92Å; V35-L374 HydrophobicContact CG1-CD1 4.21Å; V35-L374 HydrophobicContact CG2-CD1 4.19Å | ||
| 36 | N | 83.7 | Confident | 78 | Confident | 129 Ų | 129 | 50.8 Ų | 50.8 | 69% | 0.69 | 28% | 0.276 | S | S | * | . | trans | -82.8 | 74.1 | 178.1 | -169.9 | 7.9 | 0 | 0 | 0 | 111.4 | ||||
| 37 | R | 87.8 | Confident | 75.8 | Confident | 160 Ų | 160 | 55.3 Ų | 55.3 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | trans | -135.9 | 147.6 | 174 | -72.1 | -69.8 | -173 | 163.9 | 0.9 | 108.6 | V35 D150 F327 | V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 HydrophobicContact CG1-CB 4.2Å; V35-R37 HydrophobicContact CG1-CG 3.89Å; V35-R37 PolarHBondContact O-N 2.95Å; R37-D150 VanDerWaalsContact O-CB 3.25Å; R37-D150 WeakPolarHBondContact O-CB 3.41Å; R37-F327 HydrophobicContact CB-CD1 3.6Å; R37-F327 HydrophobicContact CB-CD2 3.87Å; R37-F327 HydrophobicContact CB-CE1 3.66Å; R37-F327 HydrophobicContact CB-CE2 3.93Å; R37-F327 HydrophobicContact CB-CG 3.72Å; R37-F327 HydrophobicContact CB-CZ 3.84Å; R37-F327 HydrophobicContact CG-CE1 4.16Å; R37-F327 HydrophobicContact CG-CZ 4.14Å; R37-F327 WeakPolarHBondContact O-CB 3.27Å | ||
| 38 | T | 91 | Very high | 73.8 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | trans | -118.4 | 143.4 | 179.2 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | D150 | T38-D150 WeakPolarHBondContact CA-OD2 3.4Å; T38-D150 HydrophobicContact CG2-CB 4.05Å | ||
| 39 | S | 92.2 | Very high | 71.8 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | trans | -75.6 | 146.4 | 169.6 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | D150 Q155 I325 F327 R366 | S39-D150 PolarHBondContact N-OD2 2.82Å; S39-Q155 PolarHBondContact O-NE2 3.3Å; S39-I325 WeakPolarHBondContact CB-O 3.07Å; S39-I325 PolarHBondContact OG-O 2.93Å; S39-F327 WeakPolarHBondContact OG-CA 3.29Å; S39-F327 PolarHBondContact OG-N 3.21Å; S39-R366 PolarHBondContact OG-NH2 2.84Å | ||
| 40 | A | 88.8 | Confident | 70.3 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | trans | -125.7 | 160.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | E42 D43 | A40-E42 VanDerWaalsContact C-N 3.26Å; A40-E42 PolarHBondContact O-N 3.35Å; A40-D43 WeakPolarHBondContact CA-OD2 3.47Å; A40-D43 PolarHBondContact N-OD2 3.47Å; A40-D43 VanDerWaalsContact O-CB 3.3Å; A40-D43 WeakPolarHBondContact O-CB 3.37Å; A40-D43 PolarHBondContact O-N 3.13Å | ||
| 41 | C | 82.9 | Confident | 68.9 | Low | 20 Ų | 20 | 74.6 Ų | 74.6 | 14% | 0.135 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -64.1 | -31.7 | 179.2 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | D43 V44 C55 P324 | C41-D43 PolarHBondContact O-N 3.4Å; C41-V44 WeakPolarHBondContact O-CB 3.46Å; C41-V44 PolarHBondContact O-N 3.03Å; C41-C55 HydrophobicContact CB-CB 3.58Å; C41-C55 WeakPolarHBondContact CB-SG 3.48Å; C41-C55 WeakPolarHBondContact SG-CB 3.31Å; C41-C55 CovalentContact SG-SG 2.03Å; C41-C55 PolarHBondContact SG-SG 3.21Å; C41-P324 VanDerWaalsContact SG-CG 3.52Å |
| 42 | E | 77.4 | Confident | 68 | Low | 138 Ų | 138 | 76.3 Ų | 76.3 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -65.3 | -26.6 | 178.4 | -62.5 | 178.3 | -178.1 | 0 | 0 | 112.8 | A40 V44 L45 | A40-E42 VanDerWaalsContact C-N 3.26Å; A40-E42 PolarHBondContact O-N 3.35Å; E42-V44 PolarHBondContact O-N 3.48Å; E42-V44 VanDerWaalsContact O-N 3.08Å; E42-L45 WeakPolarHBondContact O-CB 3.22Å; E42-L45 PolarHBondContact O-N 2.97Å |
| 43 | D | 75 | Confident | 67.5 | Low | 64 Ų | 64 | 77.4 Ų | 77.4 | 34% | 0.342 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -63.7 | -18.6 | 178.7 | -63.4 | -53.8 | 0 | 0 | 0 | 112.8 | A40 C41 K362 R366 | A40-D43 WeakPolarHBondContact CA-OD2 3.47Å; A40-D43 PolarHBondContact N-OD2 3.47Å; A40-D43 VanDerWaalsContact O-CB 3.3Å; A40-D43 WeakPolarHBondContact O-CB 3.37Å; A40-D43 PolarHBondContact O-N 3.13Å; C41-D43 PolarHBondContact O-N 3.4Å; D43-K362 WeakPolarHBondContact O-CE 3.41Å; D43-K362 PolarHBondContact O-NZ 3.49Å; D43-R366 IonicContact OD1-NH1 3.57Å; D43-R366 PolarHBondContact OD1-NH1 2.61Å; D43-R366 VanDerWaalsContact OD1-NH1 3.13Å; D43-R366 IonicContact OD2-CZ 3.86Å; D43-R366 IonicContact OD2-NH1 3.09Å; D43-R366 PolarHBondContact OD2-NH1 3.01Å |
| 44 | V | 64.3 | Low | 67.4 | Low | 30 Ų | 30 | 75.9 Ų | 75.9 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -85.5 | -21.4 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | C41 E42 F54 I359 K362 | C41-V44 WeakPolarHBondContact O-CB 3.46Å; C41-V44 PolarHBondContact O-N 3.03Å; E42-V44 PolarHBondContact O-N 3.48Å; E42-V44 VanDerWaalsContact O-N 3.08Å; V44-F54 HydrophobicContact CB-CD1 4.26Å; V44-F54 HydrophobicContact CB-CE1 3.67Å; V44-F54 HydrophobicContact CG1-CD1 3.87Å; V44-F54 HydrophobicContact CG1-CE1 3.65Å; V44-F54 HydrophobicContact CG2-CE1 3.51Å; V44-F54 HydrophobicContact CG2-CZ 4.07Å; V44-I359 HydrophobicContact CG1-CB 4.18Å; V44-I359 HydrophobicContact CG1-CD1 3.86Å; V44-I359 HydrophobicContact CG1-CG1 3.51Å; V44-I359 HydrophobicContact CG1-CG2 3.77Å; V44-I359 HydrophobicContact CG2-CG2 3.89Å; V44-K362 PolarHBondContact O-NZ 3.25Å |
| 45 | L | 54.7 | Low | 67.3 | Low | 71 Ų | 71 | 74.7 Ų | 74.7 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -75.1 | 150.2 | -173.6 | -60.1 | 176 | 0 | 0 | 0 | 113.4 | E42 K362 | E42-L45 WeakPolarHBondContact O-CB 3.22Å; E42-L45 PolarHBondContact O-N 2.97Å; L45-K362 PolarHBondContact O-NZ 3.44Å |
| 46 | Q | 53 | Low | 66.9 | Low | 72 Ų | 72 | 83.9 Ų | 83.9 | 34% | 0.336 | 48% | 0.477 | S | S | . | . | trans | -77 | 146.6 | 167.9 | -67.1 | -171.8 | 1.5 | 0 | 0 | 109.8 | G48 A49 L398 | Q46-G48 PolarHBondContact O-N 3.23Å; Q46-G48 VanDerWaalsContact O-N 3.11Å; Q46-A49 HydrophobicContact CB-CB 4.41Å; Q46-L398 HydrophobicContact CG-CD2 4.48Å | ||
| 47 | P | 38.6 | Very low | 66.3 | Low | 137 Ų | 137 | 79.1 Ų | 79.1 | 89% | 0.89 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 111.3 | 167.2 | -9.1 | 23.9 | 0 | 0 | 0 | 109.4 | ||
| 48 | G | 44.4 | Very low | 65.8 | Low | 90 Ų | 90 | 76 Ų | 76 | 93% | 0.928 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | 12.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | Q46 | Q46-G48 PolarHBondContact O-N 3.23Å; Q46-G48 VanDerWaalsContact O-N 3.11Å |
| 49 | A | 44.6 | Very low | 65.6 | Low | 51 Ų | 51 | 74.3 Ų | 74.3 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | trans | -116.9 | 122.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q46 S51 | Q46-A49 HydrophobicContact CB-CB 4.41Å; A49-S51 PolarHBondContact O-N 3.27Å | ||
| 50 | E | 48.8 | Very low | 65.4 | Low | 206 Ų | 206 | 77.8 Ų | 77.8 | 96% | 0.963 | 46% | 0.461 | S | S | * | . | trans | -82.2 | 97.6 | 164.8 | -74.3 | -169.9 | 165.8 | 0 | 0 | 109.6 | ||||
| 51 | S | 43.7 | Very low | 65.6 | Low | 101 Ų | 101 | 76 Ų | 76 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | trans | -159.9 | 120.1 | 155.5 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | A49 | A49-S51 PolarHBondContact O-N 3.27Š| ||
| 52 | A | 49.3 | Very low | 66 | Low | 94 Ų | 94 | 81.5 Ų | 81.5 | 78% | 0.777 | 46% | 0.463 | S | S | * | . | trans | 51.6 | 87.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | F54 | A52-F54 PolarHBondContact O-N 2.94Å; A52-F54 VanDerWaalsContact O-N 3.09Å | ||
| 53 | D | 63.4 | Low | 66.9 | Low | 26 Ų | 26 | 75.3 Ų | 75.3 | 14% | 0.139 | 43% | 0.433 | C | S | . | . | trans | -65.1 | 104.1 | 162 | -177.9 | -10 | 0 | 0 | 0 | 109.3 | C55 R56 G57 | D53-C55 PolarHBondContact O-N 3.5Å; D53-C55 VanDerWaalsContact O-N 3.15Å; D53-C55 WeakPolarHBondContact OD1-CB 3.41Å; D53-C55 PolarHBondContact OD1-N 3.23Å; D53-C55 VanDerWaalsContact OD1-N 3.1Å; D53-R56 HydrophobicContact CB-CB 4Å; D53-R56 HydrophobicContact CB-CG 4.08Å; D53-R56 CarbonylContact O-C 3.59Å; D53-R56 PolarHBondContact O-N 2.94Å; D53-R56 WeakPolarHBondContact OD2-CD 3.47Å; D53-R56 WeakPolarHBondContact OD2-CG 3.4Å; D53-R56 IonicContact OD2-CZ 3.53Å; D53-R56 IonicContact OD2-NE 3.33Å; D53-R56 PolarHBondContact OD2-NE 3.07Å; D53-R56 IonicContact OD2-NH2 3.93Å; D53-G57 PolarHBondContact O-N 3.45Å | ||
| 54 | F | 74 | Confident | 68 | Low | 25 Ų | 25 | 72.3 Ų | 72.3 | 11% | 0.11 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.4 | -176.6 | 82.1 | -78.3 | 0 | 0 | 0 | 113.1 | V44 A52 L319 L351 I359 | V44-F54 HydrophobicContact CB-CD1 4.26Å; V44-F54 HydrophobicContact CB-CE1 3.67Å; V44-F54 HydrophobicContact CG1-CD1 3.87Å; V44-F54 HydrophobicContact CG1-CE1 3.65Å; V44-F54 HydrophobicContact CG2-CE1 3.51Å; V44-F54 HydrophobicContact CG2-CZ 4.07Å; A52-F54 PolarHBondContact O-N 2.94Å; A52-F54 VanDerWaalsContact O-N 3.09Å; F54-L319 HydrophobicContact CD2-CD2 4.23Å; F54-L319 HydrophobicContact CE2-CD2 3.62Å; F54-L319 HydrophobicContact CZ-CD2 4.11Å; F54-L351 HydrophobicContact CB-CD1 4.13Å; F54-L351 HydrophobicContact CB-CD2 3.94Å; F54-L351 HydrophobicContact CB-CG 4.26Å; F54-L351 HydrophobicContact CD2-CD1 3.99Å; F54-L351 HydrophobicContact CG-CD1 4.25Å; F54-I359 HydrophobicContact CD1-CD1 4.2Å; F54-I359 HydrophobicContact CG-CD1 4.33Å |
| 55 | C | 75.1 | Confident | 69.6 | Low | 13 Ų | 13 | 70.9 Ų | 70.9 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -26.6 | 173.3 | -70 | 0 | 0 | 0 | 0 | 113 | C41 D53 M159 | C41-C55 HydrophobicContact CB-CB 3.58Å; C41-C55 WeakPolarHBondContact CB-SG 3.48Å; C41-C55 WeakPolarHBondContact SG-CB 3.31Å; C41-C55 CovalentContact SG-SG 2.03Å; C41-C55 PolarHBondContact SG-SG 3.21Å; D53-C55 PolarHBondContact O-N 3.5Å; D53-C55 VanDerWaalsContact O-N 3.15Å; D53-C55 WeakPolarHBondContact OD1-CB 3.41Å; D53-C55 PolarHBondContact OD1-N 3.23Å; D53-C55 VanDerWaalsContact OD1-N 3.1Å; C55-M159 HydrophobicContact CB-CE 4.12Å |
| 56 | R | 72 | Confident | 71.7 | Confident | 200 Ų | 200 | 67.8 Ų | 67.8 | 76% | 0.755 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -18 | 178.3 | -65.5 | 179.1 | -162.2 | -170.9 | 0.4 | 112.5 | D53 | D53-R56 HydrophobicContact CB-CB 4Å; D53-R56 HydrophobicContact CB-CG 4.08Å; D53-R56 CarbonylContact O-C 3.59Å; D53-R56 PolarHBondContact O-N 2.94Å; D53-R56 WeakPolarHBondContact OD2-CD 3.47Å; D53-R56 WeakPolarHBondContact OD2-CG 3.4Å; D53-R56 IonicContact OD2-CZ 3.53Å; D53-R56 IonicContact OD2-NE 3.33Å; D53-R56 PolarHBondContact OD2-NE 3.07Å; D53-R56 IonicContact OD2-NH2 3.93Å |
| 57 | G | 71.2 | Confident | 73.8 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -71 | 161.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D53 | D53-G57 PolarHBondContact O-N 3.45Š|
| 58 | P | 77.9 | Confident | 76.7 | Confident | 94 Ų | 94 | 58 Ų | 58 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 127.6 | 172.5 | 28.2 | -33.7 | 0 | 0 | 0 | 109.8 | V348 | P58-V348 HydrophobicContact CB-CG1 4.49Å; P58-V348 HydrophobicContact CG-CG1 3.41Å; P58-V348 VanDerWaalsContact CG-CG1 3.41Å |
| 59 | P | 86.9 | Confident | 79.3 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 163.3 | 178.8 | 31.2 | -36.8 | 0 | 0 | 0 | 111.4 | F61 L321 | P59-F61 VanDerWaalsContact C-N 3.32Å; P59-F61 WeakPolarHBondContact CB-O 3.37Å; P59-F61 VanDerWaalsContact CG-O 3.31Å; P59-F61 WeakPolarHBondContact CG-O 3.49Å; P59-F61 PolarHBondContact O-N 3.18Å; P59-L321 WeakPolarHBondContact CB-O 3.39Å |
| 60 | R | 87.2 | Confident | 81.7 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -63.4 | -40.5 | 175.7 | 179.8 | 167.8 | -178.7 | 164.4 | 7.9 | 111.5 | A294 I295 L320 L337 | R60-A294 PolarHBondContact NH2-O 3.44Å; R60-I295 VanDerWaalsContact NH2-CA 3.32Å; R60-I295 PolarHBondContact NH2-O 2.95Å; R60-I295 VanDerWaalsContact NH2-O 3.13Å; R60-L320 HydrophobicContact CB-CD2 4.12Å; R60-L320 HydrophobicContact CG-CD2 4.29Å; R60-L320 PolarHBondContact N-O 3.34Å; R60-L320 VanDerWaalsContact N-O 3.11Å; R60-L337 VanDerWaalsContact NH1-C 3.26Å; R60-L337 PolarHBondContact NH1-O 3.11Å |
| 61 | F | 92.4 | Very high | 83.9 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | trans | -120.5 | 138.3 | 173.4 | -60.9 | -74.1 | 0 | 0 | 0 | 110.1 | P59 D258 L260 I295 L320 L321 | P59-F61 VanDerWaalsContact C-N 3.32Å; P59-F61 WeakPolarHBondContact CB-O 3.37Å; P59-F61 VanDerWaalsContact CG-O 3.31Å; P59-F61 WeakPolarHBondContact CG-O 3.49Å; P59-F61 PolarHBondContact O-N 3.18Å; F61-D258 WeakPolarHBondContact CA-O 3.47Å; F61-L260 HydrophobicContact CB-CB 4.46Å; F61-L260 HydrophobicContact CD1-CB 4.08Å; F61-L260 HydrophobicContact CD2-CB 3.99Å; F61-L260 HydrophobicContact CD2-CD2 4.33Å; F61-L260 HydrophobicContact CE1-CB 4.35Å; F61-L260 HydrophobicContact CE2-CB 4.25Å; F61-L260 HydrophobicContact CE2-CD1 4.3Å; F61-L260 HydrophobicContact CE2-CD2 4.39Å; F61-L260 HydrophobicContact CG-CB 3.91Å; F61-L260 HydrophobicContact CZ-CB 4.43Å; F61-L260 HydrophobicContact CZ-CD1 4.32Å; F61-I295 HydrophobicContact CE1-CG2 4.12Å; F61-I295 HydrophobicContact CZ-CB 4.46Å; F61-I295 HydrophobicContact CZ-CG2 3.55Å; F61-L320 HydrophobicContact CD2-CB 4.22Å; F61-L320 HydrophobicContact CD2-CD1 4.5Å; F61-L320 HydrophobicContact CD2-CD2 4.32Å; F61-L320 HydrophobicContact CE2-CD1 4.33Å; F61-L320 HydrophobicContact CE2-CD2 4.11Å; F61-L320 PolarHBondContact N-O 3.48Å; F61-L321 HydrophobicContact CB-CD2 4.19Å | ||
| 62 | R | 92.3 | Very high | 86.4 | Confident | 136 Ų | 136 | 37 Ų | 37 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -81.4 | -36.2 | 173.3 | -175.3 | -179.7 | 172.5 | 170.1 | -2.9 | 110.9 | D258 | R62-D258 HydrophobicContact CB-CB 4.36Å; R62-D258 WeakPolarHBondContact CB-OD2 3.29Å; R62-D258 WeakPolarHBondContact CD-OD2 3.19Å; R62-D258 PolarHBondContact N-O 3.05Å |
| 63 | R | 95.8 | Very high | 88.5 | Confident | 8 Ų | 8 | 33 Ų | 33 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 152.6 | -173.3 | -67.9 | -177.3 | 169.9 | 146.4 | -7 | 112 | D211 W213 D214 Q256 D258 T259 L260 | R63-D211 IonicContact CZ-OD1 2.73Å; R63-D211 IonicContact NH1-OD1 3.69Å; R63-D211 IonicContact NH2-OD1 3.84Å; R63-D211 PolarHBondContact NH2-OD1 3.46Å; R63-W213 HydrophobicContact CB-CH2 3.95Å; R63-W213 HydrophobicContact CB-CZ3 3.77Å; R63-W213 HydrophobicContact CG-CH2 4.32Å; R63-W213 HydrophobicContact CG-CZ3 4.17Å; R63-W213 PolarHBondContact NE-O 3.19Å; R63-D214 WeakPolarHBondContact CA-O 3.49Å; R63-Q256 VanDerWaalsContact NH1-OE1 3.12Å; R63-D258 PolarHBondContact N-O 3.14Å; R63-T259 HydrophobicContact CB-CG2 3.89Å; R63-T259 WeakPolarHBondContact O-CA 3.43Å; R63-L260 PolarHBondContact O-N 3.09Å |
| 64 | V | 97.7 | Very high | 90 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 138.2 | 169.6 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | V66 D214 V215 L216 L260 V262 L321 | V64-V66 HydrophobicContact CG1-CG2 4.48Å; V64-V66 HydrophobicContact CG2-CG2 4.01Å; V64-D214 PolarHBondContact N-O 3.13Å; V64-D214 VanDerWaalsContact N-O 3.09Å; V64-V215 HydrophobicContact CG1-CB 4.16Å; V64-V215 HydrophobicContact CG1-CG1 3.81Å; V64-V215 HydrophobicContact CG1-CG2 3.86Å; V64-V215 WeakPolarHBondContact O-CA 3.33Å; V64-L216 PolarHBondContact O-N 3.31Å; V64-L260 CarbonylContact C-O 3.37Å; V64-L260 VanDerWaalsContact CA-O 3.26Å; V64-L260 WeakPolarHBondContact CA-O 3.27Å; V64-L260 HydrophobicContact CB-CB 4.44Å; V64-L260 HydrophobicContact CG2-CB 4.07Å; V64-L260 HydrophobicContact CG2-CD2 4.22Å; V64-L260 HydrophobicContact CG2-CG 4.23Å; V64-L260 WeakPolarHBondContact CG2-O 3.44Å; V64-V262 HydrophobicContact CG2-CG2 3.98Å; V64-L321 HydrophobicContact CB-CD1 4.46Å; V64-L321 HydrophobicContact CB-CD2 4.37Å; V64-L321 HydrophobicContact CG1-CD1 3.84Å; V64-L321 HydrophobicContact CG1-CD2 4.36Å |
| 65 | V | 98.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.9 | 166.7 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | L67 M208 W213 L216 V251 L255 T259 L260 L261 V262 | V65-L67 HydrophobicContact CG1-CD2 3.81Å; V65-L67 HydrophobicContact CG1-CG 4.23Å; V65-M208 HydrophobicContact CG2-CE 4.4Å; V65-W213 HydrophobicContact CG2-CH2 3.66Å; V65-W213 HydrophobicContact CG2-CZ3 3.91Å; V65-L216 HydrophobicContact CG1-CD2 4.34Å; V65-L216 HydrophobicContact CG2-CB 4.27Å; V65-L216 HydrophobicContact CG2-CD2 4.35Å; V65-V251 HydrophobicContact CG1-CG1 4.17Å; V65-L255 HydrophobicContact CG2-CD2 4.12Å; V65-T259 HydrophobicContact CG2-CG2 4.41Å; V65-L260 PolarHBondContact N-O 3.38Å; V65-L261 HydrophobicContact CB-CD1 4.15Å; V65-L261 HydrophobicContact CG1-CD1 4.15Å; V65-L261 WeakPolarHBondContact O-CA 3.39Å; V65-V262 PolarHBondContact O-N 3.02Å |
| 66 | V | 98.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 109.3 | 176 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | V64 I68 L216 L217 A218 V262 M264 | V64-V66 HydrophobicContact CG1-CG2 4.48Å; V64-V66 HydrophobicContact CG2-CG2 4.01Å; V66-I68 HydrophobicContact CG1-CD1 4.39Å; V66-I68 HydrophobicContact CG1-CG1 3.89Å; V66-L216 PolarHBondContact N-O 2.92Å; V66-L217 HydrophobicContact CB-CD2 3.59Å; V66-L217 HydrophobicContact CG1-CD2 4.36Å; V66-L217 HydrophobicContact CG2-CD2 3.64Å; V66-A218 PolarHBondContact O-N 3.28Å; V66-V262 CarbonylContact C-O 3.58Å; V66-V262 WeakPolarHBondContact CA-O 3.33Å; V66-V262 HydrophobicContact CG1-CB 4.24Å; V66-V262 HydrophobicContact CG1-CG1 4.29Å; V66-V262 HydrophobicContact CG2-CB 4.33Å; V66-M264 HydrophobicContact CG1-CG 4.38Å; V66-M264 HydrophobicContact CG1-SD 3.78Å |
| 67 | L | 98.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 110.7 | 171.5 | -54.8 | -175 | 0 | 0 | 0 | 108.3 | V65 L204 A218 F220 V247 I248 V251 L261 V262 V263 M264 | V65-L67 HydrophobicContact CG1-CD2 3.81Å; V65-L67 HydrophobicContact CG1-CG 4.23Å; L67-L204 HydrophobicContact CD2-CD2 4.44Å; L67-A218 HydrophobicContact CD2-CB 3.89Å; L67-F220 HydrophobicContact CD2-CE2 4.42Å; L67-V247 HydrophobicContact CD1-CG1 4.31Å; L67-I248 HydrophobicContact CD1-CG1 4.37Å; L67-V251 HydrophobicContact CD1-CB 4.31Å; L67-V251 HydrophobicContact CD1-CG1 4.33Å; L67-V251 HydrophobicContact CD1-CG2 4.04Å; L67-L261 HydrophobicContact CD1-CD1 4.09Å; L67-L261 HydrophobicContact CG-CD1 4Å; L67-V262 PolarHBondContact N-O 3.16Å; L67-V263 HydrophobicContact CB-CG1 4.4Å; L67-V263 HydrophobicContact CB-CG2 4.28Å; L67-V263 HydrophobicContact CD1-CG2 4.17Å; L67-V263 CarbonylContact O-C 3.49Å; L67-V263 WeakPolarHBondContact O-CA 3.14Å; L67-M264 PolarHBondContact O-N 3.36Å |
| 68 | I | 98.4 | Very high | 94 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.9 | 175.4 | -50.4 | 171.2 | 0 | 0 | 0 | 106.2 | V66 F127 W171 A218 H219 F220 M264 D266 | V66-I68 HydrophobicContact CG1-CD1 4.39Å; V66-I68 HydrophobicContact CG1-CG1 3.89Å; I68-F127 HydrophobicContact CD1-CE2 3.91Å; I68-F127 HydrophobicContact CD1-CZ 3.88Å; I68-W171 HydrophobicContact CD1-CH2 4.09Å; I68-W171 HydrophobicContact CD1-CZ2 3.49Å; I68-W171 VanDerWaalsContact CD1-CZ2 3.49Å; I68-A218 PolarHBondContact N-O 2.88Å; I68-H219 HydrophobicContact CB-CB 4.35Å; I68-H219 WeakPolarHBondContact CG2-CD2 3.41Å; I68-H219 CarbonylContact O-C 3.55Å; I68-H219 WeakPolarHBondContact O-CA 3.35Å; I68-F220 PolarHBondContact O-N 3.05Å; I68-M264 WeakPolarHBondContact CA-O 3.37Å; I68-M264 HydrophobicContact CB-CG 4.5Å; I68-M264 HydrophobicContact CG1-CG 4.03Å; I68-M264 HydrophobicContact CG1-SD 4.21Å; I68-D266 HydrophobicContact CG2-CB 4.37Å |
| 69 | I | 98.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 103.8 | 175 | -59.9 | 168.3 | 0 | 0 | 0 | 105.6 | A71 L72 V223 M244 I248 V263 M264 G265 | I69-A71 PolarHBondContact O-N 3Å; I69-L72 HydrophobicContact CB-CB 3.83Å; I69-L72 HydrophobicContact CB-CD2 4.11Å; I69-L72 HydrophobicContact CB-CG 4.44Å; I69-L72 HydrophobicContact CD1-CD2 4.03Å; I69-L72 HydrophobicContact CG2-CB 3.88Å; I69-L72 HydrophobicContact CG2-CD1 4.35Å; I69-L72 HydrophobicContact CG2-CG 4.49Å; I69-L72 WeakPolarHBondContact O-CB 3.34Å; I69-L72 PolarHBondContact O-N 3.04Å; I69-V223 HydrophobicContact CG2-CB 4.02Å; I69-V223 HydrophobicContact CG2-CG2 3.68Å; I69-M244 HydrophobicContact CD1-CB 3.86Å; I69-M244 HydrophobicContact CD1-CG 3.88Å; I69-M244 HydrophobicContact CD1-SD 3.98Å; I69-M244 HydrophobicContact CG1-CG 4.28Å; I69-M244 HydrophobicContact CG1-SD 3.93Å; I69-M244 HydrophobicContact CG2-CG 4.06Å; I69-M244 HydrophobicContact CG2-SD 4.34Å; I69-I248 HydrophobicContact CD1-CD1 4.27Å; I69-V263 HydrophobicContact CD1-CG1 3.91Å; I69-M264 PolarHBondContact N-O 3.01Å; I69-G265 WeakPolarHBondContact O-CA 3.44Å |
| 70 | D | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.011 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 134 | -175.3 | -161.7 | -40.4 | 0 | 0 | 0 | 110.2 | L72 T120 H219 F220 L221 V223 D224 D266 H267 | D70-L72 PolarHBondContact O-N 3.13Å; D70-T120 WeakPolarHBondContact OD2-CG2 3.36Å; D70-T120 PolarHBondContact OD2-OG1 2.88Å; D70-T120 VanDerWaalsContact OD2-OG1 3.1Å; D70-H219 IonicContact OD2-CE1 3.57Å; D70-H219 IonicContact OD2-NE2 3.76Å; D70-F220 VanDerWaalsContact CB-O 3.27Å; D70-F220 WeakPolarHBondContact CB-O 3.38Å; D70-F220 PolarHBondContact N-O 3.44Å; D70-L221 HydrophobicContact CB-CD2 3.71Å; D70-L221 VanDerWaalsContact OD2-CD2 3.29Å; D70-L221 WeakPolarHBondContact OD2-CD2 3.34Å; D70-V223 WeakPolarHBondContact O-CB 3.36Å; D70-D224 HydrophobicContact CB-CB 3.84Å; D70-D224 PolarHBondContact O-N 3Å; D70-D224 WeakPolarHBondContact OD1-CB 3.24Å; D70-D266 WeakPolarHBondContact CA-OD1 3.37Å; D70-H267 IonicContact OD1-CE1 3.97Å; D70-H267 PolarHBondContact OD1-CE1 3.03Å; D70-H267 IonicContact OD1-NE2 3.86Å; D70-H267 PolarHBondContact OD1-NE2 3.31Å |
| 71 | A | 94 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 25.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I69 K73 D224 D266 H267 M269 | I69-A71 PolarHBondContact O-N 3Å; A71-K73 VanDerWaalsContact C-N 3.31Å; A71-K73 PolarHBondContact O-N 3.15Å; A71-D224 HydrophobicContact CB-CB 3.66Å; A71-D224 WeakPolarHBondContact CB-OD1 3.41Å; A71-D266 PolarHBondContact N-OD1 2.91Å; A71-H267 CarbonylContact C-O 3.6Å; A71-H267 VanDerWaalsContact CA-O 3.25Å; A71-H267 WeakPolarHBondContact CA-O 3.46Å; A71-M269 HydrophobicContact CB-CE 3.32Å |
| 72 | L | 97.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -68.6 | 89.1 | 171.9 | -177.4 | 69.5 | 0 | 0 | 0 | 111 | I69 D70 F76 L93 L241 V263 A285 A286 | I69-L72 HydrophobicContact CB-CB 3.83Å; I69-L72 HydrophobicContact CB-CD2 4.11Å; I69-L72 HydrophobicContact CB-CG 4.44Å; I69-L72 HydrophobicContact CD1-CD2 4.03Å; I69-L72 HydrophobicContact CG2-CB 3.88Å; I69-L72 HydrophobicContact CG2-CD1 4.35Å; I69-L72 HydrophobicContact CG2-CG 4.49Å; I69-L72 WeakPolarHBondContact O-CB 3.34Å; I69-L72 PolarHBondContact O-N 3.04Å; D70-L72 PolarHBondContact O-N 3.13Å; L72-F76 HydrophobicContact CD1-CB 4.11Å; L72-F76 HydrophobicContact CD1-CD2 4.44Å; L72-L93 HydrophobicContact CD1-CD1 3.68Å; L72-L241 HydrophobicContact CD1-CD2 4.14Å; L72-V263 HydrophobicContact CD2-CG1 4.4Å; L72-A285 CarbonylContact O-C 3.51Å; L72-A285 WeakPolarHBondContact O-CA 3.46Å; L72-A286 HydrophobicContact CD2-CB 3.95Å; L72-A286 HydrophobicContact CG-CB 3.98Å; L72-A286 PolarHBondContact O-N 3.42Å | ||
| 73 | K | 93.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -67.4 | 146.6 | 176.4 | -161.4 | -170.6 | 171.3 | 80.8 | 0 | 111.6 | A71 D75 F76 M269 K281 | A71-K73 VanDerWaalsContact C-N 3.31Å; A71-K73 PolarHBondContact O-N 3.15Å; K73-D75 HydrophobicContact CD-CB 4.21Å; K73-D75 WeakPolarHBondContact CE-OD2 3.34Å; K73-D75 PolarHBondContact O-N 3.3Å; K73-D75 VanDerWaalsContact O-N 3.15Å; K73-F76 HydrophobicContact CB-CD1 4.33Å; K73-F76 HydrophobicContact CB-CD2 3.91Å; K73-F76 HydrophobicContact CB-CE1 4.35Å; K73-F76 HydrophobicContact CB-CE2 3.92Å; K73-F76 HydrophobicContact CB-CG 4.11Å; K73-F76 HydrophobicContact CB-CZ 4.14Å; K73-F76 HydrophobicContact CD-CE1 4.24Å; K73-F76 HydrophobicContact CD-CZ 4.36Å; K73-F76 WeakPolarHBondContact O-CB 3.35Å; K73-F76 PolarHBondContact O-N 3.1Å; K73-M269 PolarHBondContact NZ-O 3.16Å; K73-K281 PolarHBondContact NZ-O 2.95Å |
| 74 | I | 94.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.8 | -33.5 | 178 | -172.2 | 57.5 | 0 | 0 | 0 | 113.1 | F76 A77 R78 L109 P111 D284 A285 A286 | I74-F76 PolarHBondContact O-N 2.88Å; I74-A77 PolarHBondContact O-N 3.35Å; I74-A77 VanDerWaalsContact O-N 3.17Å; I74-R78 HydrophobicContact CD1-CG 4.46Å; I74-R78 HydrophobicContact CG1-CG 4.41Å; I74-R78 PolarHBondContact O-N 2.99Å; I74-R78 VanDerWaalsContact O-N 3.17Å; I74-L109 HydrophobicContact CD1-CD1 4.36Å; I74-L109 HydrophobicContact CD1-CG 4.37Å; I74-P111 HydrophobicContact CD1-CB 4.46Å; I74-P111 HydrophobicContact CD1-CG 4.39Å; I74-P111 HydrophobicContact CG1-CB 4.13Å; I74-P111 HydrophobicContact CG1-CG 4.14Å; I74-D284 HydrophobicContact CG2-CB 4.01Å; I74-D284 PolarHBondContact N-O 2.94Å; I74-A285 WeakPolarHBondContact CB-O 3.17Å; I74-A286 HydrophobicContact CD1-CB 4.26Å |
| 75 | D | 90.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 40% | 0.401 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.9 | -24.8 | 179.7 | -61.7 | -20.9 | 0 | 0 | 0 | 112.9 | K73 | K73-D75 HydrophobicContact CD-CB 4.21Å; K73-D75 WeakPolarHBondContact CE-OD2 3.34Å; K73-D75 PolarHBondContact O-N 3.3Å; K73-D75 VanDerWaalsContact O-N 3.15Å |
| 76 | F | 95.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.2 | -31.5 | 175.4 | -58.2 | -15.3 | 0 | 0 | 0 | 111.6 | L72 K73 I74 Y89 V223 P232 M237 L241 M269 | L72-F76 HydrophobicContact CD1-CB 4.11Å; L72-F76 HydrophobicContact CD1-CD2 4.44Å; K73-F76 HydrophobicContact CB-CD1 4.33Å; K73-F76 HydrophobicContact CB-CD2 3.91Å; K73-F76 HydrophobicContact CB-CE1 4.35Å; K73-F76 HydrophobicContact CB-CE2 3.92Å; K73-F76 HydrophobicContact CB-CG 4.11Å; K73-F76 HydrophobicContact CB-CZ 4.14Å; K73-F76 HydrophobicContact CD-CE1 4.24Å; K73-F76 HydrophobicContact CD-CZ 4.36Å; K73-F76 WeakPolarHBondContact O-CB 3.35Å; K73-F76 PolarHBondContact O-N 3.1Å; I74-F76 PolarHBondContact O-N 2.88Å; F76-Y89 AromaticContact CD1-CD2 3.65Å; F76-Y89 HydrophobicContact CD1-CD2 3.65Å; F76-Y89 AromaticContact CD1-CG 3.99Å; F76-Y89 HydrophobicContact CD1-CG 3.99Å; F76-Y89 AromaticContact CE1-CD2 3.75Å; F76-Y89 HydrophobicContact CE1-CD2 3.75Å; F76-Y89 AromaticContact CE1-CG 3.8Å; F76-Y89 HydrophobicContact CE1-CG 3.8Å; F76-V223 HydrophobicContact CD2-CG1 4.28Å; F76-V223 HydrophobicContact CE2-CG1 4.1Å; F76-P232 HydrophobicContact CE1-CB 4.01Å; F76-P232 HydrophobicContact CZ-CB 3.77Å; F76-M237 HydrophobicContact CE2-CE 4.38Å; F76-M237 HydrophobicContact CE2-SD 4.38Å; F76-M237 HydrophobicContact CZ-CE 4.44Å; F76-L241 HydrophobicContact CB-CD1 4.05Å; F76-L241 HydrophobicContact CB-CD2 3.95Å; F76-L241 HydrophobicContact CD1-CD1 4.49Å; F76-L241 HydrophobicContact CD2-CD1 4.39Å; F76-L241 HydrophobicContact CD2-CD2 4.04Å; F76-L241 HydrophobicContact CG-CD1 4.08Å; F76-L241 HydrophobicContact CG-CD2 4.26Å; F76-M269 HydrophobicContact CE2-CE 4.04Å; F76-M269 HydrophobicContact CE2-SD 4.22Å; F76-M269 HydrophobicContact CZ-CE 4.34Å; F76-M269 HydrophobicContact CZ-CG 4.22Å; F76-M269 HydrophobicContact CZ-SD 3.9Å |
| 77 | A | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -84.1 | -20.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I74 L93 L96 L109 A286 | I74-A77 PolarHBondContact O-N 3.35Å; I74-A77 VanDerWaalsContact O-N 3.17Å; A77-L93 HydrophobicContact CB-CD1 4.48Å; A77-L96 HydrophobicContact CB-CD1 3.71Å; A77-L109 HydrophobicContact CB-CD1 4.11Å; A77-L109 HydrophobicContact CB-CD2 4.3Å; A77-A286 HydrophobicContact CB-CB 3.63Å |
| 78 | R | 93 | Very high | 92.1 | Very high | 138 Ų | 138 | 52.9 Ų | 52.9 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | trans | -78.8 | 136.9 | 178.9 | -75.4 | -178.7 | 176.5 | -172.3 | -1.7 | 111.5 | I74 | I74-R78 HydrophobicContact CD1-CG 4.46Å; I74-R78 HydrophobicContact CG1-CG 4.41Å; I74-R78 PolarHBondContact O-N 2.99Å; I74-R78 VanDerWaalsContact O-N 3.17Å | ||
| 79 | F | 94 | Very high | 91.6 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | trans | -104.4 | 130.6 | 171.9 | -171.8 | -89 | 0 | 0 | 0 | 109.9 | P81 N91 P94 E97 | F79-P81 HydrophobicContact CE1-CB 4.06Å; F79-N91 WeakPolarHBondContact CA-OD1 3.44Å; F79-N91 HydrophobicContact CD2-CB 3.78Å; F79-N91 HydrophobicContact CE2-CB 3.76Å; F79-P94 HydrophobicContact CD2-CB 4.15Å; F79-P94 HydrophobicContact CE2-CB 4.15Å; F79-E97 HydrophobicContact CB-CB 3.56Å; F79-E97 HydrophobicContact CB-CG 3.89Å; F79-E97 HydrophobicContact CD1-CG 4.24Å; F79-E97 HydrophobicContact CG-CB 4.22Å; F79-E97 HydrophobicContact CG-CG 4.35Å | ||
| 80 | D | 91.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | trans | -124.2 | 106.7 | 176.5 | -176.5 | -9.7 | 0 | 0 | 0 | 109.9 | T82 K83 N91 | D80-T82 VanDerWaalsContact CG-OG1 3.29Å; D80-T82 PolarHBondContact O-N 3.46Å; D80-T82 WeakPolarHBondContact OD1-CB 3.38Å; D80-T82 PolarHBondContact OD1-N 3.5Å; D80-T82 PolarHBondContact OD1-OG1 2.99Å; D80-T82 PolarHBondContact OD2-OG1 3.25Å; D80-K83 HydrophobicContact CB-CD 4.07Å; D80-K83 HydrophobicContact CB-CG 4.07Å; D80-K83 PolarHBondContact O-N 3.12Å; D80-K83 WeakPolarHBondContact OD2-CE 3.41Å; D80-N91 PolarHBondContact N-OD1 3.16Å; D80-N91 PolarHBondContact O-ND2 3.05Å | ||
| 81 | P | 90.4 | Very high | 91.4 | Very high | 106 Ų | 106 | 56.4 Ų | 56.4 | 69% | 0.688 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.6 | -179.1 | 28.5 | -34.1 | 0 | 0 | 0 | 113.2 | F79 K83 | F79-P81 HydrophobicContact CE1-CB 4.06Å; P81-K83 VanDerWaalsContact C-N 3.31Å |
| 82 | T | 92.6 | Very high | 91.5 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 66% | 0.656 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.1 | -179.7 | 72.5 | 0 | 0 | 0 | 0 | 113 | D80 T84 | D80-T82 VanDerWaalsContact CG-OG1 3.29Å; D80-T82 PolarHBondContact O-N 3.46Å; D80-T82 WeakPolarHBondContact OD1-CB 3.38Å; D80-T82 PolarHBondContact OD1-N 3.5Å; D80-T82 PolarHBondContact OD1-OG1 2.99Å; D80-T82 PolarHBondContact OD2-OG1 3.25Å; T82-T84 PolarHBondContact O-N 3.47Å; T82-T84 VanDerWaalsContact O-N 3.17Å |
| 83 | K | 86.4 | Confident | 91.5 | Very high | 79 Ų | 79 | 59.3 Ų | 59.3 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | trans | -79.7 | 97.9 | 179 | -65.9 | -174.7 | -176.1 | 177.5 | 0 | 111 | D80 P81 E90 | D80-K83 HydrophobicContact CB-CD 4.07Å; D80-K83 HydrophobicContact CB-CG 4.07Å; D80-K83 PolarHBondContact O-N 3.12Å; D80-K83 WeakPolarHBondContact OD2-CE 3.41Å; P81-K83 VanDerWaalsContact C-N 3.31Å; K83-E90 WeakPolarHBondContact CD-OE2 3.33Å; K83-E90 IonicContact NZ-OE1 3.99Å; K83-E90 PolarHBondContact NZ-OE1 2.78Å; K83-E90 IonicContact NZ-OE2 2.7Å | ||
| 84 | T | 85.6 | Confident | 91.7 | Very high | 143 Ų | 143 | 60.2 Ų | 60.2 | 88% | 0.877 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -74.7 | -22.4 | 179.1 | 54 | 0 | 0 | 0 | 0 | 114 | T82 | T82-T84 PolarHBondContact O-N 3.47Å; T82-T84 VanDerWaalsContact O-N 3.17Å |
| 85 | A | 85.8 | Confident | 91.8 | Very high | 88 Ų | 88 | 60 Ų | 60 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -134.4 | 75 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 86 | P | 90.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | trans | -64.8 | 144.3 | -176.1 | 26.5 | -33.3 | 0 | 0 | 0 | 111.2 | E90 N91 | P86-E90 WeakPolarHBondContact CA-OE2 3.45Å; P86-E90 HydrophobicContact CB-CB 3.74Å; P86-N91 HydrophobicContact CB-CB 4.49Å | ||
| 87 | R | 82.2 | Confident | 92 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | trans | -60.3 | 159.5 | 168.4 | -64.2 | -178 | -179.2 | -170.5 | -3.5 | 110.2 | Y89 E90 | R87-Y89 HydrophobicContact CB-CD1 4.18Å; R87-Y89 HydrophobicContact CB-CE1 3.88Å; R87-Y89 VanDerWaalsContact CD-OH 3.31Å; R87-Y89 WeakPolarHBondContact CD-OH 3.12Å; R87-Y89 HydrophobicContact CG-CE1 4.49Å; R87-Y89 PolarHBondContact NH1-OH 3.13Å; R87-Y89 PolarHBondContact O-N 3.36Å; R87-E90 HydrophobicContact CB-CG 3.97Å; R87-E90 PolarHBondContact N-OE2 3.29Å; R87-E90 PolarHBondContact O-N 3.38Å | ||
| 88 | P | 86.6 | Confident | 92 | Very high | 32 Ų | 32 | 64 Ų | 64 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -39.3 | 178.6 | -30.9 | 36.2 | 0 | 0 | 0 | 115 | K92 D233 H234 A238 | P88-K92 WeakPolarHBondContact O-CE 3.21Å; P88-K92 VanDerWaalsContact O-CG 3.25Å; P88-K92 WeakPolarHBondContact O-CG 3.48Å; P88-D233 WeakPolarHBondContact CD-OD1 3.42Å; P88-D233 WeakPolarHBondContact CG-OD1 3.31Å; P88-H234 VanDerWaalsContact CB-O 3.29Å; P88-H234 WeakPolarHBondContact CB-O 3.39Å; P88-A238 HydrophobicContact CB-CB 4.23Å; P88-A238 VanDerWaalsContact O-CA 3.28Å; P88-A238 WeakPolarHBondContact O-CA 3.45Å; P88-A238 WeakPolarHBondContact O-CB 3.36Å |
| 89 | Y | 89.1 | Confident | 92.1 | Very high | 30 Ų | 30 | 58 Ų | 58 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.8 | -179.7 | 63.2 | -97 | 0 | 0 | 0 | 115.1 | F76 R87 P232 D233 L241 | F76-Y89 AromaticContact CD1-CD2 3.65Å; F76-Y89 HydrophobicContact CD1-CD2 3.65Å; F76-Y89 AromaticContact CD1-CG 3.99Å; F76-Y89 HydrophobicContact CD1-CG 3.99Å; F76-Y89 AromaticContact CE1-CD2 3.75Å; F76-Y89 HydrophobicContact CE1-CD2 3.75Å; F76-Y89 AromaticContact CE1-CG 3.8Å; F76-Y89 HydrophobicContact CE1-CG 3.8Å; R87-Y89 HydrophobicContact CB-CD1 4.18Å; R87-Y89 HydrophobicContact CB-CE1 3.88Å; R87-Y89 VanDerWaalsContact CD-OH 3.31Å; R87-Y89 WeakPolarHBondContact CD-OH 3.12Å; R87-Y89 HydrophobicContact CG-CE1 4.49Å; R87-Y89 PolarHBondContact NH1-OH 3.13Å; R87-Y89 PolarHBondContact O-N 3.36Å; Y89-P232 HydrophobicContact CD1-CB 4.2Å; Y89-P232 WeakPolarHBondContact CD1-O 3.37Å; Y89-D233 HydrophobicContact CE1-CB 4.31Å; Y89-L241 WeakPolarHBondContact O-CD1 3.25Å |
| 90 | E | 93.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 143.3 | -174.2 | -65.4 | 176.4 | 149.5 | 0 | 0 | 111.6 | K83 P86 R87 K92 | K83-E90 WeakPolarHBondContact CD-OE2 3.33Å; K83-E90 IonicContact NZ-OE1 3.99Å; K83-E90 PolarHBondContact NZ-OE1 2.78Å; K83-E90 IonicContact NZ-OE2 2.7Å; P86-E90 WeakPolarHBondContact CA-OE2 3.45Å; P86-E90 HydrophobicContact CB-CB 3.74Å; R87-E90 HydrophobicContact CB-CG 3.97Å; R87-E90 PolarHBondContact N-OE2 3.29Å; R87-E90 PolarHBondContact O-N 3.38Å; E90-K92 WeakPolarHBondContact O-CE 3.4Å; E90-K92 WeakPolarHBondContact O-CG 3.19Å; E90-K92 PolarHBondContact O-N 3.03Å |
| 91 | N | 96 | Very high | 92.1 | Very high | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 34.5 | 176.5 | -62.2 | -7.9 | 0 | 0 | 0 | 113.8 | F79 D80 P86 | F79-N91 WeakPolarHBondContact CA-OD1 3.44Å; F79-N91 HydrophobicContact CD2-CB 3.78Å; F79-N91 HydrophobicContact CE2-CB 3.76Å; D80-N91 PolarHBondContact N-OD1 3.16Å; D80-N91 PolarHBondContact O-ND2 3.05Å; P86-N91 HydrophobicContact CB-CB 4.49Å |
| 92 | K | 96.8 | Very high | 92.3 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | trans | -101 | -5.3 | -179.8 | -58.5 | -54.1 | 173.3 | -175.8 | 0 | 115.2 | P88 E90 P94 A238 L241 | P88-K92 WeakPolarHBondContact O-CE 3.21Å; P88-K92 VanDerWaalsContact O-CG 3.25Å; P88-K92 WeakPolarHBondContact O-CG 3.48Å; E90-K92 WeakPolarHBondContact O-CE 3.4Å; E90-K92 WeakPolarHBondContact O-CG 3.19Å; E90-K92 PolarHBondContact O-N 3.03Å; K92-P94 WeakPolarHBondContact O-CD 3.47Å; K92-A238 HydrophobicContact CD-CB 4.39Å; K92-A238 HydrophobicContact CG-CB 4.49Å; K92-L241 HydrophobicContact CB-CB 3.48Å; K92-L241 VanDerWaalsContact CB-CB 3.48Å; K92-L241 HydrophobicContact CB-CD1 4.19Å; K92-L241 HydrophobicContact CG-CB 4.3Å; K92-L241 HydrophobicContact CG-CD1 4.47Å | ||
| 93 | L | 97.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | trans | -120.5 | 51.9 | 174.8 | -66.1 | 169.8 | 0 | 0 | 0 | 111.5 | L72 A77 V95 L96 L241 M244 D245 I248 | L72-L93 HydrophobicContact CD1-CD1 3.68Å; A77-L93 HydrophobicContact CB-CD1 4.48Å; L93-V95 PolarHBondContact O-N 3.38Å; L93-V95 VanDerWaalsContact O-N 3.13Å; L93-L96 HydrophobicContact CB-CD1 4.04Å; L93-L96 HydrophobicContact CB-CG 4.28Å; L93-L96 HydrophobicContact CD1-CD1 4.31Å; L93-L96 PolarHBondContact O-N 2.79Å; L93-L241 HydrophobicContact CD1-CD2 4.14Å; L93-L241 VanDerWaalsContact CD2-O 3.28Å; L93-L241 WeakPolarHBondContact CD2-O 3.46Å; L93-M244 HydrophobicContact CD2-CB 4.05Å; L93-D245 WeakPolarHBondContact CA-OD1 3.49Å; L93-D245 HydrophobicContact CD2-CB 3.97Å; L93-I248 HydrophobicContact CD2-CD1 4.11Å | ||
| 94 | P | 96.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 55 Ų | 55 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -25.9 | -176.1 | 26.9 | -37.4 | 0 | 0 | 0 | 113.7 | F79 K92 L96 E97 E98 D245 | F79-P94 HydrophobicContact CD2-CB 4.15Å; F79-P94 HydrophobicContact CE2-CB 4.15Å; K92-P94 WeakPolarHBondContact O-CD 3.47Å; P94-L96 PolarHBondContact O-N 3.31Å; P94-L96 VanDerWaalsContact O-N 3.1Å; P94-E97 PolarHBondContact O-N 2.96Å; P94-E98 WeakPolarHBondContact O-CB 3.42Å; P94-E98 VanDerWaalsContact O-CG 3.29Å; P94-E98 WeakPolarHBondContact O-CG 3.24Å; P94-E98 PolarHBondContact O-N 3.25Å; P94-D245 WeakPolarHBondContact CD-OD1 3.5Å |
| 95 | V | 97.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.7 | -32.4 | 179.3 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | L93 T99 D245 I248 R249 M252 | L93-V95 PolarHBondContact O-N 3.38Å; L93-V95 VanDerWaalsContact O-N 3.13Å; V95-T99 VanDerWaalsContact O-CB 3.3Å; V95-T99 WeakPolarHBondContact O-CB 3.44Å; V95-T99 PolarHBondContact O-N 3.48Å; V95-T99 VanDerWaalsContact O-N 3.09Å; V95-T99 PolarHBondContact O-OG1 2.86Å; V95-D245 VanDerWaalsContact CB-OD1 3.27Å; V95-D245 WeakPolarHBondContact CB-OD1 3.22Å; V95-D245 WeakPolarHBondContact CG1-OD1 3.23Å; V95-D245 PolarHBondContact N-OD1 3.25Å; V95-I248 HydrophobicContact CG1-CB 4Å; V95-I248 HydrophobicContact CG1-CG2 3.68Å; V95-I248 HydrophobicContact CG2-CG2 4.48Å; V95-R249 HydrophobicContact CG2-CB 4.18Å; V95-R249 HydrophobicContact CG2-CG 4.49Å; V95-M252 HydrophobicContact CG2-SD 4.02Å |
| 96 | L | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.5 | -51.8 | -178.9 | -57.4 | -177 | 0 | 0 | 0 | 110.8 | A77 L93 P94 T99 V100 L109 I248 F288 | A77-L96 HydrophobicContact CB-CD1 3.71Å; L93-L96 HydrophobicContact CB-CD1 4.04Å; L93-L96 HydrophobicContact CB-CG 4.28Å; L93-L96 HydrophobicContact CD1-CD1 4.31Å; L93-L96 PolarHBondContact O-N 2.79Å; P94-L96 PolarHBondContact O-N 3.31Å; P94-L96 VanDerWaalsContact O-N 3.1Å; L96-T99 PolarHBondContact O-N 3.02Å; L96-V100 WeakPolarHBondContact O-CG2 3.27Å; L96-V100 PolarHBondContact O-N 3.3Å; L96-L109 HydrophobicContact CD1-CD1 4.46Å; L96-I248 HydrophobicContact CD2-CD1 4.3Å; L96-I248 HydrophobicContact CD2-CG2 4.28Å; L96-F288 HydrophobicContact CD2-CB 4.06Å; L96-F288 HydrophobicContact CD2-CD1 3.54Å; L96-F288 HydrophobicContact CD2-CD2 4Å; L96-F288 HydrophobicContact CD2-CE1 3.85Å; L96-F288 HydrophobicContact CD2-CE2 4.29Å; L96-F288 HydrophobicContact CD2-CG 3.6Å; L96-F288 HydrophobicContact CD2-CZ 4.21Å |
| 97 | E | 94.8 | Very high | 93.4 | Very high | 67 Ų | 67 | 45 Ų | 45 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68 | -43.6 | 179.4 | -178 | 56.7 | -143.7 | 0 | 0 | 111.7 | F79 P94 T99 V100 S101 | F79-E97 HydrophobicContact CB-CB 3.56Å; F79-E97 HydrophobicContact CB-CG 3.89Å; F79-E97 HydrophobicContact CD1-CG 4.24Å; F79-E97 HydrophobicContact CG-CB 4.22Å; F79-E97 HydrophobicContact CG-CG 4.35Å; P94-E97 PolarHBondContact O-N 2.96Å; E97-T99 PolarHBondContact O-N 3.06Å; E97-V100 PolarHBondContact O-N 3.47Å; E97-S101 VanDerWaalsContact O-CB 3.29Å; E97-S101 WeakPolarHBondContact O-CB 3.45Å; E97-S101 PolarHBondContact O-N 2.92Å; E97-S101 PolarHBondContact OE1-OG 3.31Å |
| 98 | E | 95.4 | Very high | 94 | Very high | 94 Ų | 94 | 39.3 Ų | 39.3 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -51.3 | -43.8 | 174.3 | -75 | 171.1 | -168.8 | 0 | 0 | 111.1 | P94 A102 R249 | P94-E98 WeakPolarHBondContact O-CB 3.42Å; P94-E98 VanDerWaalsContact O-CG 3.29Å; P94-E98 WeakPolarHBondContact O-CG 3.24Å; P94-E98 PolarHBondContact O-N 3.25Å; E98-A102 WeakPolarHBondContact O-CB 3.38Å; E98-A102 PolarHBondContact O-N 3.05Å; E98-R249 IonicContact OE1-NH2 3.29Å; E98-R249 IonicContact OE2-CZ 2.65Å; E98-R249 IonicContact OE2-NH1 2.78Å; E98-R249 PolarHBondContact OE2-NH1 3.22Å; E98-R249 IonicContact OE2-NH2 3.12Å; E98-R249 PolarHBondContact OE2-NH2 2.89Å |
| 99 | T | 94.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.3 | -47.4 | -177.7 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | V95 L96 E97 S101 R103 M252 F288 Y290 | V95-T99 VanDerWaalsContact O-CB 3.3Å; V95-T99 WeakPolarHBondContact O-CB 3.44Å; V95-T99 PolarHBondContact O-N 3.48Å; V95-T99 VanDerWaalsContact O-N 3.09Å; V95-T99 PolarHBondContact O-OG1 2.86Å; L96-T99 PolarHBondContact O-N 3.02Å; E97-T99 PolarHBondContact O-N 3.06Å; T99-S101 VanDerWaalsContact C-N 3.32Å; T99-S101 PolarHBondContact O-N 3.02Å; T99-R103 CarbonylContact O-C 3.48Å; T99-R103 WeakPolarHBondContact O-CA 3.39Å; T99-R103 PolarHBondContact O-N 3.46Å; T99-M252 HydrophobicContact CG2-CE 3.64Å; T99-M252 WeakPolarHBondContact OG1-CE 3.46Å; T99-F288 HydrophobicContact CG2-CZ 3.98Å; T99-Y290 HydrophobicContact CG2-CD2 3.66Å; T99-Y290 HydrophobicContact CG2-CE2 3.73Å |
| 100 | V | 93.4 | Very high | 94.8 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 15% | 0.145 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | -178.9 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L96 E97 P104 L109 F288 | L96-V100 WeakPolarHBondContact O-CG2 3.27Å; L96-V100 PolarHBondContact O-N 3.3Å; E97-V100 PolarHBondContact O-N 3.47Å; V100-P104 WeakPolarHBondContact O-CA 3.26Å; V100-L109 HydrophobicContact CG2-CB 4.36Å; V100-F288 HydrophobicContact CG2-CD2 4.34Å; V100-F288 HydrophobicContact CG2-CE2 3.84Å |
| 101 | S | 92.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 38 Ų | 38 | 57% | 0.573 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -72.2 | -43.7 | 178.4 | -85.9 | 0 | 0 | 0 | 0 | 112.8 | E97 T99 | E97-S101 VanDerWaalsContact O-CB 3.29Å; E97-S101 WeakPolarHBondContact O-CB 3.45Å; E97-S101 PolarHBondContact O-N 2.92Å; E97-S101 PolarHBondContact OE1-OG 3.31Å; T99-S101 VanDerWaalsContact C-N 3.32Å; T99-S101 PolarHBondContact O-N 3.02Å |
| 102 | A | 93.8 | Very high | 95 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 65% | 0.645 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -77.5 | -30.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E98 | E98-A102 WeakPolarHBondContact O-CB 3.38Å; E98-A102 PolarHBondContact O-N 3.05Å |
| 103 | R | 92.6 | Very high | 94.9 | Very high | 130 Ų | 130 | 38 Ų | 38 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | trans | -137.4 | 65.9 | -172 | -52.2 | -169.9 | -168.5 | 169.5 | -0.7 | 111.5 | T99 A105 Q106 G107 Y290 | T99-R103 CarbonylContact O-C 3.48Å; T99-R103 WeakPolarHBondContact O-CA 3.39Å; T99-R103 PolarHBondContact O-N 3.46Å; R103-A105 PolarHBondContact O-N 3.38Å; R103-Q106 HydrophobicContact CB-CB 3.99Å; R103-Q106 HydrophobicContact CB-CG 4.29Å; R103-Q106 PolarHBondContact O-N 2.79Å; R103-G107 PolarHBondContact O-N 2.95Å; R103-Y290 PolarHBondContact NH1-OH 3.29Å | ||
| 104 | P | 91.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 29% | 0.286 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.4 | -171.5 | 25.4 | -35.9 | 0 | 0 | 0 | 115 | V100 R108 | V100-P104 WeakPolarHBondContact O-CA 3.26Å; P104-R108 PolarHBondContact O-NH1 2.93Å |
| 105 | A | 91.9 | Very high | 94 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -16.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R103 A294 I295 F296 | R103-A105 PolarHBondContact O-N 3.38Å; A105-A294 HydrophobicContact CB-CB 4.24Å; A105-I295 PolarHBondContact O-N 3.28Å; A105-F296 PolarHBondContact O-N 3.19Å |
| 106 | Q | 94.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 38 Ų | 38 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -24.5 | -175.8 | -72.4 | -176.3 | 1.9 | 0 | 0 | 113.2 | R103 Y290 S291 P292 I295 | R103-Q106 HydrophobicContact CB-CB 3.99Å; R103-Q106 HydrophobicContact CB-CG 4.29Å; R103-Q106 PolarHBondContact O-N 2.79Å; Q106-Y290 HydrophobicContact CB-CD2 4.2Å; Q106-Y290 HydrophobicContact CB-CE2 3.92Å; Q106-Y290 VanDerWaalsContact O-CA 3.32Å; Q106-Y290 WeakPolarHBondContact O-CA 3.27Å; Q106-S291 WeakPolarHBondContact CB-O 3.31Å; Q106-S291 PolarHBondContact O-N 2.94Å; Q106-P292 VanDerWaalsContact CD-O 3.25Å; Q106-P292 PolarHBondContact NE2-O 3.43Å; Q106-I295 WeakPolarHBondContact O-CD1 3.09Å |
| 107 | G | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 159.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R103 L289 | R103-G107 PolarHBondContact O-N 2.95Å; G107-L289 CarbonylContact C-O 3.59Å; G107-L289 WeakPolarHBondContact CA-O 3.47Å |
| 108 | R | 94.9 | Very high | 90.8 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 3% | 0.034 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 143.5 | -178.6 | -156 | 62.4 | 114.9 | -128.7 | -14.5 | 112 | P104 Y110 F288 L289 F296 G298 P300 E304 | P104-R108 PolarHBondContact O-NH1 2.93Å; R108-Y110 HydrophobicContact CB-CD2 4.48Å; R108-Y110 HydrophobicContact CB-CE2 3.77Å; R108-Y110 HydrophobicContact CG-CD2 4.29Å; R108-Y110 HydrophobicContact CG-CE1 3.97Å; R108-Y110 HydrophobicContact CG-CE2 3.56Å; R108-Y110 WeakPolarHBondContact CG-OH 3.43Å; R108-F288 WeakPolarHBondContact O-CA 3.45Å; R108-F288 WeakPolarHBondContact O-CD2 3.39Å; R108-L289 PolarHBondContact N-O 3.43Å; R108-L289 PolarHBondContact O-N 3.29Å; R108-F296 HydrophobicContact CB-CD2 4.17Å; R108-F296 HydrophobicContact CB-CE1 4.15Å; R108-F296 HydrophobicContact CB-CE2 3.43Å; R108-F296 VanDerWaalsContact CB-CE2 3.43Å; R108-F296 HydrophobicContact CB-CZ 3.43Å; R108-F296 VanDerWaalsContact CB-CZ 3.43Å; R108-F296 HydrophobicContact CG-CZ 4.37Å; R108-G298 PolarHBondContact NH2-O 3.05Å; R108-P300 VanDerWaalsContact CZ-CD 3.43Å; R108-E304 IonicContact CZ-OE1 3.22Å; R108-E304 IonicContact CZ-OE2 2.64Å; R108-E304 IonicContact NE-OE1 3.57Å; R108-E304 IonicContact NE-OE2 2.68Å; R108-E304 PolarHBondContact NE-OE2 3.31Å; R108-E304 IonicContact NH2-OE1 3.41Å; R108-E304 PolarHBondContact NH2-OE1 2.82Å; R108-E304 IonicContact NH2-OE2 3.78Å |
| 109 | L | 95.9 | Very high | 90 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 17% | 0.173 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.9 | 177.1 | 177.4 | 66.3 | 0 | 0 | 0 | 109.5 | I74 A77 L96 V100 A286 L287 F288 | I74-L109 HydrophobicContact CD1-CD1 4.36Å; I74-L109 HydrophobicContact CD1-CG 4.37Å; A77-L109 HydrophobicContact CB-CD1 4.11Å; A77-L109 HydrophobicContact CB-CD2 4.3Å; L96-L109 HydrophobicContact CD1-CD1 4.46Å; V100-L109 HydrophobicContact CG2-CB 4.36Å; L109-A286 HydrophobicContact CD1-CB 4.41Å; L109-L287 CarbonylContact C-O 3.49Å; L109-L287 WeakPolarHBondContact CA-O 3.47Å; L109-F288 HydrophobicContact CB-CD2 4.34Å; L109-F288 HydrophobicContact CD1-CB 4.06Å |
| 110 | Y | 96.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.2 | 177.7 | -61.7 | -76.5 | 0 | 0 | 0 | 110.9 | R108 F112 L287 E304 P305 V308 | R108-Y110 HydrophobicContact CB-CD2 4.48Å; R108-Y110 HydrophobicContact CB-CE2 3.77Å; R108-Y110 HydrophobicContact CG-CD2 4.29Å; R108-Y110 HydrophobicContact CG-CE1 3.97Å; R108-Y110 HydrophobicContact CG-CE2 3.56Å; R108-Y110 WeakPolarHBondContact CG-OH 3.43Å; Y110-F112 PolarHBondContact O-N 3.49Å; Y110-L287 PolarHBondContact N-O 2.67Å; Y110-L287 PolarHBondContact O-N 2.93Å; Y110-E304 PolarHBondContact OH-OE2 3.48Å; Y110-P305 WeakPolarHBondContact CD1-O 3.38Å; Y110-V308 HydrophobicContact CD1-CG2 4.07Å; Y110-V308 HydrophobicContact CD2-CG2 4.04Å; Y110-V308 HydrophobicContact CG-CG2 3.69Å |
| 111 | P | 96.8 | Very high | 88.8 | Confident | 15 Ų | 15 | 35 Ų | 35 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 130.6 | 155.4 | -15.5 | 29.3 | 0 | 0 | 0 | 109.8 | I74 D306 V307 V308 | I74-P111 HydrophobicContact CD1-CB 4.46Å; I74-P111 HydrophobicContact CD1-CG 4.39Å; I74-P111 HydrophobicContact CG1-CB 4.13Å; I74-P111 HydrophobicContact CG1-CG 4.14Å; P111-D306 WeakPolarHBondContact CD-O 3.23Å; P111-D306 WeakPolarHBondContact CG-O 3.48Å; P111-V307 HydrophobicContact CB-CG1 4.31Å; P111-V307 HydrophobicContact CB-CG2 4.12Å; P111-V307 HydrophobicContact CG-CG2 4.31Å; P111-V308 PolarHBondContact O-N 2.94Å |
| 112 | F | 97 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 102.7 | -174.6 | -169 | -129.8 | 0 | 0 | 0 | 110.3 | Y110 M264 G265 A285 L287 V308 Q310 L313 | Y110-F112 PolarHBondContact O-N 3.49Å; F112-M264 HydrophobicContact CD1-CB 4.45Å; F112-M264 HydrophobicContact CE1-CB 4.34Å; F112-M264 HydrophobicContact CE1-CE 3.6Å; F112-M264 HydrophobicContact CZ-CE 4.08Å; F112-G265 WeakPolarHBondContact CD1-O 3.38Å; F112-A285 HydrophobicContact CB-CB 4.36Å; F112-A285 HydrophobicContact CD1-CB 4.48Å; F112-A285 PolarHBondContact N-O 2.93Å; F112-A285 WeakPolarHBondContact O-CA 3.47Å; F112-A285 WeakPolarHBondContact O-CB 3.49Å; F112-A285 PolarHBondContact O-N 3.45Å; F112-L287 HydrophobicContact CB-CB 3.57Å; F112-L287 HydrophobicContact CD1-CB 4.37Å; F112-L287 HydrophobicContact CD2-CB 3.84Å; F112-L287 HydrophobicContact CD2-CD2 3.76Å; F112-L287 HydrophobicContact CD2-CG 4.31Å; F112-L287 HydrophobicContact CE2-CD2 3.98Å; F112-L287 HydrophobicContact CG-CB 3.7Å; F112-L287 HydrophobicContact CG-CD2 4.47Å; F112-V308 CarbonylContact C-O 3.57Å; F112-V308 VanDerWaalsContact CA-O 3.26Å; F112-V308 WeakPolarHBondContact CA-O 3.18Å; F112-V308 HydrophobicContact CD2-CB 4.24Å; F112-V308 HydrophobicContact CD2-CG1 4.03Å; F112-V308 WeakPolarHBondContact CD2-O 2.89Å; F112-V308 HydrophobicContact CE2-CG1 4.2Å; F112-Q310 HydrophobicContact CD1-CG 3.74Å; F112-Q310 HydrophobicContact CD2-CG 4.24Å; F112-Q310 HydrophobicContact CE1-CB 4.1Å; F112-Q310 HydrophobicContact CE1-CG 3.37Å; F112-Q310 VanDerWaalsContact CE1-NE2 3.27Å; F112-Q310 VanDerWaalsContact CE2-CA 3.43Å; F112-Q310 HydrophobicContact CE2-CB 4.14Å; F112-Q310 HydrophobicContact CE2-CG 3.95Å; F112-Q310 HydrophobicContact CG-CG 4.16Å; F112-Q310 VanDerWaalsContact CZ-CA 3.48Å; F112-Q310 HydrophobicContact CZ-CB 3.74Å; F112-Q310 HydrophobicContact CZ-CG 3.5Å; F112-L313 HydrophobicContact CE2-CB 4.34Å; F112-L313 HydrophobicContact CZ-CB 4.13Å; F112-L313 HydrophobicContact CZ-CD2 4.15Å |
| 113 | R | 95.1 | Very high | 88 | Confident | 85 Ų | 85 | 28 Ų | 28 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 114.7 | -165.3 | -176.3 | 164.2 | -71 | 151.2 | 2.4 | 112.4 | T283 D284 V307 V308 Q310 | R113-T283 WeakPolarHBondContact CA-O 3.43Å; R113-D284 IonicContact CZ-OD1 2.95Å; R113-D284 IonicContact CZ-OD2 2.83Å; R113-D284 IonicContact NE-OD1 3.49Å; R113-D284 PolarHBondContact NE-OD1 3.38Å; R113-D284 IonicContact NH2-OD1 3.82Å; R113-D284 PolarHBondContact NH2-OD1 2.98Å; R113-D284 IonicContact NH2-OD2 3.78Å; R113-D284 PolarHBondContact NH2-OD2 3.02Å; R113-V307 HydrophobicContact CB-CG1 3.59Å; R113-V308 PolarHBondContact N-O 3.04Å; R113-Q310 WeakPolarHBondContact O-CG 3.42Å; R113-Q310 PolarHBondContact O-N 3.37Å |
| 114 | A | 90.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 130.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | T118 T283 Q310 | A114-T118 HydrophobicContact CB-CG2 4.1Å; A114-T283 PolarHBondContact N-O 2.84Å; A114-T283 VanDerWaalsContact O-CB 3.27Å; A114-T283 WeakPolarHBondContact O-CB 3.41Å; A114-T283 VanDerWaalsContact O-CG2 3.28Å; A114-T283 WeakPolarHBondContact O-CG2 3.28Å; A114-Q310 HydrophobicContact CB-CG 4.2Å |
| 115 | D | 84.9 | Confident | 87.8 | Confident | 11 Ų | 11 | 20.5 Ų | 20.5 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 135.1 | 169.1 | -76.5 | -68 | 0 | 0 | 0 | 110.6 | R123 L132 R427 | D115-R123 PolarHBondContact O-NH1 2.77Å; D115-R123 PolarHBondContact O-NH2 3.25Å; D115-L132 HydrophobicContact CB-CD2 3.94Å; D115-L132 VanDerWaalsContact CG-CD2 3.44Å; D115-L132 WeakPolarHBondContact OD2-CD2 3.16Å; D115-R427 IonicContact OD1-CZ 3.54Å; D115-R427 IonicContact OD1-NE 3.21Å; D115-R427 PolarHBondContact OD1-NE 2.92Å; D115-R427 IonicContact OD1-NH2 3.75Å; D115-R427 PolarHBondContact OD1-NH2 2.66Å; D115-R427 IonicContact OD2-CZ 3.58Å; D115-R427 IonicContact OD2-NE 2.96Å; D115-R427 IonicContact OD2-NH2 2.58Å; D115-R427 PolarHBondContact OD2-NH2 2.86Å; D115-R427 VanDerWaalsContact OD2-NH2 3.14Å |
| 116 | P | 72.6 | Confident | 87.6 | Confident | 26 Ų | 26 | 19.1 Ų | 19.1 | 17% | 0.169 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -60.8 | 151.2 | 179 | -24.7 | 36.1 | 0 | 0 | 0 | 113.2 | D278 T283 | P116-D278 HydrophobicContact CB-CB 4.15Å; P116-D278 HydrophobicContact CG-CB 3.53Å; P116-T283 HydrophobicContact CG-CG2 4.22Å |
| 117 | P | 73 | Confident | 87.5 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | P | Polyproline II helix | cis | -82.2 | 134.3 | 3.4 | 32.4 | -35.7 | 0 | 0 | 0 | 113.6 | T119 Q122 R123 W1037 | P117-T119 PolarHBondContact O-N 3Å; P117-Q122 HydrophobicContact CG-CB 4.19Å; P117-Q122 HydrophobicContact CG-CG 3.97Å; P117-R123 PolarHBondContact O-NE 2.63Å; P117-R123 VanDerWaalsContact O-NE 3.11Å; P117-R123 PolarHBondContact O-NH2 3.46Å; P117-W1037 VanDerWaalsContact CB-NE1 3.34Å |
| 118 | T | 77.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -81.8 | 49 | -175.8 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | A114 H267 H275 G276 G277 E282 T283 | A114-T118 HydrophobicContact CB-CG2 4.1Å; T118-H267 HydrophobicContact CG2-CB 4.38Å; T118-H267 PolarHBondContact O-CD2 3.35Å; T118-H267 VanDerWaalsContact O-CD2 3.25Å; T118-H275 PolarHBondContact O-ND1 3.12Å; T118-G276 PolarHBondContact O-N 3.09Å; T118-G276 VanDerWaalsContact OG1-C 3.27Å; T118-G276 WeakPolarHBondContact OG1-CA 3.3Å; T118-G276 PolarHBondContact OG1-N 2.94Å; T118-G277 PolarHBondContact OG1-N 3.31Å; T118-G277 PolarHBondContact OG1-O 3.11Å; T118-E282 HydrophobicContact CG2-CB 4.43Å; T118-E282 WeakPolarHBondContact CG2-O 3.08Å; T118-T283 HydrophobicContact CG2-CG2 3.93Å | ||
| 119 | T | 77.6 | Confident | 87.4 | Confident | 31 Ų | 31 | 17.2 Ų | 17.2 | 19% | 0.19 | 9% | 0.087 | C | C | . | . | trans | -102.1 | 138.7 | 173.7 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | P117 M121 Q122 R123 | P117-T119 PolarHBondContact O-N 3Å; T119-M121 PolarHBondContact O-N 2.9Å; T119-Q122 WeakPolarHBondContact O-CA 3.33Å; T119-Q122 WeakPolarHBondContact O-CB 3.4Å; T119-Q122 PolarHBondContact O-N 3.08Å; T119-Q122 WeakPolarHBondContact OG1-CB 3.31Å; T119-Q122 WeakPolarHBondContact OG1-CG 3.37Å; T119-R123 WeakPolarHBondContact O-CG 3.48Å; T119-R123 PolarHBondContact O-N 3.45Å | ||
| 120 | T | 80.5 | Confident | 87.3 | Confident | 24 Ų | 24 | 15.7 Ų | 15.7 | 15% | 0.147 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -41.3 | -56.1 | -176.7 | -45.3 | 0 | 0 | 0 | 0 | 114.5 | D70 Q122 R123 I124 D266 H267 | D70-T120 WeakPolarHBondContact OD2-CG2 3.36Å; D70-T120 PolarHBondContact OD2-OG1 2.88Å; D70-T120 VanDerWaalsContact OD2-OG1 3.1Å; T120-Q122 VanDerWaalsContact C-N 3.28Å; T120-Q122 PolarHBondContact O-N 3.38Å; T120-R123 WeakPolarHBondContact O-CA 3.5Å; T120-R123 WeakPolarHBondContact O-CB 3.47Å; T120-R123 PolarHBondContact O-N 3.25Å; T120-I124 HydrophobicContact CG2-CD1 3.89Å; T120-I124 HydrophobicContact CG2-CG1 4.44Å; T120-I124 WeakPolarHBondContact O-CG1 3.46Å; T120-I124 PolarHBondContact O-N 3.42Å; T120-D266 WeakPolarHBondContact CA-OD2 3.3Å; T120-H267 PolarHBondContact OG1-NE2 3.21Å |
| 121 | M | 82.1 | Confident | 86.9 | Confident | 83 Ų | 83 | 15.2 Ų | 15.2 | 41% | 0.409 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -55.7 | -41.6 | -179.9 | -174.9 | -175.8 | 71.5 | 0 | 0 | 113.1 | T119 K125 T170 L174 | T119-M121 PolarHBondContact O-N 2.9Å; M121-K125 PolarHBondContact O-N 2.91Å; M121-K125 VanDerWaalsContact O-N 3.16Å; M121-T170 HydrophobicContact CB-CG2 4.24Å; M121-T170 HydrophobicContact CG-CG2 4.16Å; M121-L174 HydrophobicContact CG-CD1 4.17Å; M121-L174 HydrophobicContact CG-CD2 3.97Å; M121-L174 HydrophobicContact CG-CG 4.5Å; M121-L174 HydrophobicContact SD-CD2 4.47Å |
| 122 | Q | 80.8 | Confident | 86.2 | Confident | 11 Ų | 11 | 14.5 Ų | 14.5 | 5% | 0.051 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -72.9 | -32.4 | 179.9 | -64.9 | -67.7 | -21.7 | 0 | 0 | 111.5 | P117 T119 T120 G126 P133 T134 | P117-Q122 HydrophobicContact CG-CB 4.19Å; P117-Q122 HydrophobicContact CG-CG 3.97Å; T119-Q122 WeakPolarHBondContact O-CA 3.33Å; T119-Q122 WeakPolarHBondContact O-CB 3.4Å; T119-Q122 PolarHBondContact O-N 3.08Å; T119-Q122 WeakPolarHBondContact OG1-CB 3.31Å; T119-Q122 WeakPolarHBondContact OG1-CG 3.37Å; T120-Q122 VanDerWaalsContact C-N 3.28Å; T120-Q122 PolarHBondContact O-N 3.38Å; Q122-G126 PolarHBondContact O-N 3.3Å; Q122-P133 HydrophobicContact CB-CB 4.33Å; Q122-P133 WeakPolarHBondContact O-CB 3.47Å; Q122-T134 PolarHBondContact OE1-O 2.86Å; Q122-T134 VanDerWaalsContact OE1-O 3.11Å |
| 123 | R | 88.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.008 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.4 | -48.4 | 174 | -60.3 | -54.6 | 87.3 | -157 | 13.4 | 111 | D115 P117 T119 T120 K125 G126 F127 P133 D266 H267 | D115-R123 PolarHBondContact O-NH1 2.77Å; D115-R123 PolarHBondContact O-NH2 3.25Å; P117-R123 PolarHBondContact O-NE 2.63Å; P117-R123 VanDerWaalsContact O-NE 3.11Å; P117-R123 PolarHBondContact O-NH2 3.46Å; T119-R123 WeakPolarHBondContact O-CG 3.48Å; T119-R123 PolarHBondContact O-N 3.45Å; T120-R123 WeakPolarHBondContact O-CA 3.5Å; T120-R123 WeakPolarHBondContact O-CB 3.47Å; T120-R123 PolarHBondContact O-N 3.25Å; R123-K125 PolarHBondContact O-N 3.37Å; R123-G126 CarbonylContact O-C 3.48Å; R123-G126 WeakPolarHBondContact O-CA 3.35Å; R123-G126 PolarHBondContact O-N 3.01Å; R123-F127 HydrophobicContact CB-CD1 4.06Å; R123-F127 HydrophobicContact CB-CE1 3.89Å; R123-F127 WeakPolarHBondContact O-CD1 3.36Å; R123-F127 WeakPolarHBondContact O-CE1 3.41Å; R123-F127 WeakPolarHBondContact O-CG 3.46Å; R123-F127 PolarHBondContact O-N 2.95Å; R123-P133 VanDerWaalsContact CZ-CG 3.43Å; R123-D266 HydrophobicContact CB-CB 3.82Å; R123-D266 VanDerWaalsContact CD-O 3.23Å; R123-D266 WeakPolarHBondContact CD-O 3.27Å; R123-D266 HydrophobicContact CG-CB 4.21Å; R123-D266 WeakPolarHBondContact CG-O 3.17Å; R123-H267 HydrophobicContact CG-CB 4.38Å |
| 124 | I | 91.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -51.4 | -47.8 | 175.5 | -65.5 | 164.5 | 0 | 0 | 0 | 110 | T120 F127 T128 T170 W171 L174 F175 | T120-I124 HydrophobicContact CG2-CD1 3.89Å; T120-I124 HydrophobicContact CG2-CG1 4.44Å; T120-I124 WeakPolarHBondContact O-CG1 3.46Å; T120-I124 PolarHBondContact O-N 3.42Å; I124-F127 VanDerWaalsContact CA-CE1 3.5Å; I124-F127 VanDerWaalsContact CA-CZ 3.4Å; I124-F127 HydrophobicContact CB-CE1 4.45Å; I124-F127 HydrophobicContact CB-CZ 4.04Å; I124-F127 HydrophobicContact CG1-CE1 4.18Å; I124-F127 HydrophobicContact CG1-CZ 3.69Å; I124-T128 HydrophobicContact CG2-CG2 4.37Å; I124-T128 VanDerWaalsContact O-CB 3.3Å; I124-T128 WeakPolarHBondContact O-CB 3.32Å; I124-T128 WeakPolarHBondContact O-CG2 3.28Å; I124-T128 PolarHBondContact O-N 2.9Å; I124-T128 VanDerWaalsContact O-N 3.16Å; I124-T128 PolarHBondContact O-OG1 3.45Å; I124-T170 HydrophobicContact CD1-CG2 4.36Å; I124-W171 HydrophobicContact CD1-CG 4.46Å; I124-W171 HydrophobicContact CG1-CZ2 4.05Å; I124-W171 HydrophobicContact CG2-CD2 3.95Å; I124-W171 HydrophobicContact CG2-CE3 4.01Å; I124-W171 HydrophobicContact CG2-CH2 4Å; I124-W171 HydrophobicContact CG2-CZ2 3.84Å; I124-W171 HydrophobicContact CG2-CZ3 4.06Å; I124-L174 HydrophobicContact CB-CD1 3.92Å; I124-L174 HydrophobicContact CD1-CD1 4.35Å; I124-L174 HydrophobicContact CG2-CD1 3.57Å; I124-F175 HydrophobicContact CG2-CE2 3.89Å |
| 125 | K | 88.1 | Confident | 81.5 | Confident | 15 Ų | 15 | 12.2 Ų | 12.2 | 7% | 0.065 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 174.4 | -174 | 169.2 | -175 | 168.8 | 0 | 112.6 | E34 M121 R123 T128 T129 D137 I147 E149 | E34-K125 IonicContact OE1-NZ 3.6Å; E34-K125 PolarHBondContact OE1-NZ 2.73Å; M121-K125 PolarHBondContact O-N 2.91Å; M121-K125 VanDerWaalsContact O-N 3.16Å; R123-K125 PolarHBondContact O-N 3.37Å; K125-T128 PolarHBondContact O-N 3.49Å; K125-T128 PolarHBondContact O-OG1 3.14Å; K125-T129 HydrophobicContact CG-CG2 4.31Å; K125-T129 WeakPolarHBondContact O-CB 3.41Å; K125-T129 VanDerWaalsContact O-CG2 3.31Å; K125-T129 WeakPolarHBondContact O-CG2 3.04Å; K125-T129 PolarHBondContact O-N 2.9Å; K125-T129 PolarHBondContact O-OG1 3.25Å; K125-D137 VanDerWaalsContact NZ-CG 3.26Å; K125-D137 IonicContact NZ-OD1 2.89Å; K125-D137 IonicContact NZ-OD2 2.65Å; K125-D137 PolarHBondContact NZ-OD2 3.05Å; K125-I147 HydrophobicContact CB-CD1 3.89Å; K125-I147 HydrophobicContact CD-CD1 4.41Å; K125-I147 HydrophobicContact CD-CG1 4.31Å; K125-I147 HydrophobicContact CG-CD1 3.85Å; K125-I147 HydrophobicContact CG-CG1 4.24Å; K125-E149 WeakPolarHBondContact CE-OE1 3.18Å; K125-E149 IonicContact NZ-OE1 2.75Å |
| 126 | G | 88.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 13.4 Ų | 13.4 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.9 | -51.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q122 R123 T128 G130 S131 | Q122-G126 PolarHBondContact O-N 3.3Å; R123-G126 CarbonylContact O-C 3.48Å; R123-G126 WeakPolarHBondContact O-CA 3.35Å; R123-G126 PolarHBondContact O-N 3.01Å; G126-T128 VanDerWaalsContact C-N 3.32Å; G126-T128 PolarHBondContact O-N 3.32Å; G126-G130 WeakPolarHBondContact O-CA 3.27Å; G126-G130 PolarHBondContact O-N 2.84Å; G126-S131 PolarHBondContact O-N 3.29Å |
| 127 | F | 91.7 | Very high | 79 | Confident | 9 Ų | 9 | 14.1 Ų | 14.1 | 4% | 0.039 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -82.7 | -2.7 | -176.3 | 67.1 | -117.9 | 0 | 0 | 0 | 114.5 | I68 R123 I124 W171 M264 D266 L313 V314 | I68-F127 HydrophobicContact CD1-CE2 3.91Å; I68-F127 HydrophobicContact CD1-CZ 3.88Å; R123-F127 HydrophobicContact CB-CD1 4.06Å; R123-F127 HydrophobicContact CB-CE1 3.89Å; R123-F127 WeakPolarHBondContact O-CD1 3.36Å; R123-F127 WeakPolarHBondContact O-CE1 3.41Å; R123-F127 WeakPolarHBondContact O-CG 3.46Å; R123-F127 PolarHBondContact O-N 2.95Å; I124-F127 VanDerWaalsContact CA-CE1 3.5Å; I124-F127 VanDerWaalsContact CA-CZ 3.4Å; I124-F127 HydrophobicContact CB-CE1 4.45Å; I124-F127 HydrophobicContact CB-CZ 4.04Å; I124-F127 HydrophobicContact CG1-CE1 4.18Å; I124-F127 HydrophobicContact CG1-CZ 3.69Å; F127-W171 AromaticContact CE2-CH2 3.74Å; F127-W171 HydrophobicContact CE2-CH2 3.74Å; F127-W171 AromaticContact CE2-CZ2 3.77Å; F127-W171 HydrophobicContact CE2-CZ2 3.77Å; F127-W171 HydrophobicContact CZ-CH2 4.37Å; F127-W171 AromaticContact CZ-CZ2 3.93Å; F127-W171 HydrophobicContact CZ-CZ2 3.93Å; F127-M264 HydrophobicContact CB-CE 4.2Å; F127-M264 HydrophobicContact CD1-CE 3.88Å; F127-M264 HydrophobicContact CD2-CE 4.04Å; F127-M264 HydrophobicContact CE1-CE 4.22Å; F127-M264 HydrophobicContact CE2-CE 4.36Å; F127-M264 HydrophobicContact CG-CE 3.8Å; F127-M264 HydrophobicContact CZ-CE 4.44Å; F127-D266 HydrophobicContact CE1-CB 3.76Å; F127-L313 HydrophobicContact CB-CD2 4.32Å; F127-V314 VanDerWaalsContact C-CG2 3.49Å; F127-V314 WeakPolarHBondContact O-CG2 3.47Å |
| 128 | T | 94.3 | Very high | 77.6 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -101.9 | -27.3 | 170.1 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | I124 K125 G126 F152 I153 W171 F175 | I124-T128 HydrophobicContact CG2-CG2 4.37Å; I124-T128 VanDerWaalsContact O-CB 3.3Å; I124-T128 WeakPolarHBondContact O-CB 3.32Å; I124-T128 WeakPolarHBondContact O-CG2 3.28Å; I124-T128 PolarHBondContact O-N 2.9Å; I124-T128 VanDerWaalsContact O-N 3.16Å; I124-T128 PolarHBondContact O-OG1 3.45Å; K125-T128 PolarHBondContact O-N 3.49Å; K125-T128 PolarHBondContact O-OG1 3.14Å; G126-T128 VanDerWaalsContact C-N 3.32Å; G126-T128 PolarHBondContact O-N 3.32Å; T128-F152 WeakPolarHBondContact O-CB 3.38Å; T128-F152 PolarHBondContact O-N 3.04Å; T128-I153 HydrophobicContact CG2-CG1 4.39Å; T128-W171 HydrophobicContact CG2-CH2 3.81Å; T128-W171 HydrophobicContact CG2-CZ3 3.82Å; T128-F175 HydrophobicContact CG2-CE2 4.27Å; T128-F175 HydrophobicContact CG2-CZ 3.87Å; T128-F175 WeakPolarHBondContact OG1-CZ 3.2Å |
| 129 | T | 93.1 | Very high | 75.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -93.2 | -24.5 | 176 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | K125 S131 I147 E149 N151 | K125-T129 HydrophobicContact CG-CG2 4.31Å; K125-T129 WeakPolarHBondContact O-CB 3.41Å; K125-T129 VanDerWaalsContact O-CG2 3.31Å; K125-T129 WeakPolarHBondContact O-CG2 3.04Å; K125-T129 PolarHBondContact O-N 2.9Å; K125-T129 PolarHBondContact O-OG1 3.25Å; T129-S131 PolarHBondContact O-N 3.35Å; T129-S131 WeakPolarHBondContact OG1-CB 3.44Å; T129-S131 PolarHBondContact OG1-N 2.93Å; T129-S131 PolarHBondContact OG1-OG 2.77Å; T129-I147 HydrophobicContact CG2-CG2 4.07Å; T129-E149 HydrophobicContact CG2-CG 3.79Å; T129-N151 HydrophobicContact CG2-CB 3.9Å |
| 130 | G | 92.7 | Very high | 74 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 18.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G126 S329 V330 G331 | G126-G130 WeakPolarHBondContact O-CA 3.27Å; G126-G130 PolarHBondContact O-N 2.84Å; G130-S329 WeakPolarHBondContact O-CA 3.34Å; G130-S329 PolarHBondContact O-OG 3.47Å; G130-V330 PolarHBondContact O-N 3.31Å; G130-G331 PolarHBondContact O-N 3.42Å |
| 131 | S | 88.3 | Confident | 72 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -109.2 | 162.6 | -174.3 | 83.6 | 0 | 0 | 0 | 0 | 110.8 | R32 G126 T129 P133 S328 | R32-S131 PolarHBondContact NH1-OG 3.2Å; G126-S131 PolarHBondContact O-N 3.29Å; T129-S131 PolarHBondContact O-N 3.35Å; T129-S131 WeakPolarHBondContact OG1-CB 3.44Å; T129-S131 PolarHBondContact OG1-N 2.93Å; T129-S131 PolarHBondContact OG1-OG 2.77Å; S131-P133 WeakPolarHBondContact O-CD 2.93Å; S131-S328 WeakPolarHBondContact CB-O 3.28Å |
| 132 | L | 82.8 | Confident | 69.9 | Low | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -78.4 | 122.6 | 174.4 | -67.8 | 166.2 | 0 | 0 | 0 | 109.2 | R32 D115 T311 V330 C426 R427 W430 | R32-L132 PolarHBondContact NH1-O 3.04Å; D115-L132 HydrophobicContact CB-CD2 3.94Å; D115-L132 VanDerWaalsContact CG-CD2 3.44Å; D115-L132 WeakPolarHBondContact OD2-CD2 3.16Å; L132-T311 HydrophobicContact CD2-CG2 4.23Å; L132-V330 HydrophobicContact CD1-CG2 4.48Å; L132-V330 HydrophobicContact CG-CG2 4.13Å; L132-C426 VanDerWaalsContact CD1-C 3.45Å; L132-C426 HydrophobicContact CD1-CB 3.59Å; L132-R427 VanDerWaalsContact CD1-CA 3.49Å; L132-R427 HydrophobicContact CD1-CB 3.95Å; L132-W430 HydrophobicContact CB-CE3 4.29Å; L132-W430 HydrophobicContact CD1-CE3 4.1Å | ||
| 133 | P | 66.8 | Low | 67.8 | Low | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | trans | -75.5 | 145.2 | -176.5 | 26.5 | -30.3 | 0 | 0 | 0 | 111.7 | Q122 R123 S131 | Q122-P133 HydrophobicContact CB-CB 4.33Å; Q122-P133 WeakPolarHBondContact O-CB 3.47Å; R123-P133 VanDerWaalsContact CZ-CG 3.43Å; S131-P133 WeakPolarHBondContact O-CD 2.93Å | ||
| 134 | T | 64.8 | Low | 65.9 | Low | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -128.9 | 146.5 | 179.2 | 30.7 | 0 | 0 | 0 | 0 | 110.5 | L30 R32 Q122 D137 W430 | L30-T134 HydrophobicContact CB-CG2 4.41Å; L30-T134 WeakPolarHBondContact O-CB 3.13Å; R32-T134 HydrophobicContact CB-CG2 3.69Å; R32-T134 WeakPolarHBondContact CB-OG1 3.43Å; Q122-T134 PolarHBondContact OE1-O 2.86Å; Q122-T134 VanDerWaalsContact OE1-O 3.11Å; T134-D137 PolarHBondContact OG1-OD1 2.94Å; T134-W430 HydrophobicContact CG2-CB 3.98Å | ||
| 135 | F | 52.2 | Low | 64.6 | Low | 37 Ų | 37 | 39 Ų | 39 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -73.3 | -33.5 | -175.4 | -178.7 | -108 | 0 | 0 | 0 | 112.3 | L30 F919 W1037 A1041 | L30-F135 PolarHBondContact O-N 2.79Å; F135-F919 AromaticContact CE1-CE2 3.91Å; F135-F919 HydrophobicContact CE1-CE2 3.91Å; F135-F919 HydrophobicContact CZ-CE2 4.26Å; F135-W1037 HydrophobicContact CB-CD2 4.06Å; F135-W1037 HydrophobicContact CB-CE3 3.73Å; F135-W1037 HydrophobicContact CB-CH2 4.2Å; F135-W1037 HydrophobicContact CB-CZ3 3.79Å; F135-W1037 HydrophobicContact CD1-CD2 4.02Å; F135-W1037 AromaticContact CD1-CE3 3.11Å; F135-W1037 HydrophobicContact CD1-CE3 3.11Å; F135-W1037 AromaticContact CD1-CZ3 3.48Å; F135-W1037 HydrophobicContact CD1-CZ3 3.48Å; F135-W1037 VanDerWaalsContact CD1-CZ3 3.48Å; F135-W1037 HydrophobicContact CD2-CB 3.6Å; F135-W1037 AromaticContact CD2-CD2 3.66Å; F135-W1037 HydrophobicContact CD2-CD2 3.66Å; F135-W1037 AromaticContact CD2-CE3 3.65Å; F135-W1037 HydrophobicContact CD2-CE3 3.65Å; F135-W1037 AromaticContact CD2-CG 3.65Å; F135-W1037 HydrophobicContact CD2-CG 3.65Å; F135-W1037 HydrophobicContact CE1-CD2 4.45Å; F135-W1037 AromaticContact CE1-CE3 3.57Å; F135-W1037 HydrophobicContact CE1-CE3 3.57Å; F135-W1037 HydrophobicContact CE1-CZ3 4.24Å; F135-W1037 HydrophobicContact CE2-CB 3.33Å; F135-W1037 HydrophobicContact CE2-CD2 4.21Å; F135-W1037 HydrophobicContact CE2-CE3 4.12Å; F135-W1037 AromaticContact CE2-CG 3.93Å; F135-W1037 HydrophobicContact CE2-CG 3.93Å; F135-W1037 HydrophobicContact CG-CB 4.39Å; F135-W1037 AromaticContact CG-CD2 3.6Å; F135-W1037 HydrophobicContact CG-CD2 3.6Å; F135-W1037 AromaticContact CG-CE3 3.15Å; F135-W1037 HydrophobicContact CG-CE3 3.15Å; F135-W1037 HydrophobicContact CG-CG 4.12Å; F135-W1037 HydrophobicContact CG-CH2 4.48Å; F135-W1037 AromaticContact CG-CZ3 3.65Å; F135-W1037 HydrophobicContact CG-CZ3 3.65Å; F135-W1037 HydrophobicContact CZ-CB 3.85Å; F135-W1037 HydrophobicContact CZ-CE3 4.08Å; F135-W1037 WeakPolarHBondContact CZ-O 3.2Å; F135-A1041 HydrophobicContact CE1-CB 4.24Å |
| 136 | V | 51.5 | Low | 64 | Low | 37 Ų | 37 | 39 Ų | 39 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 107.6 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | L30 V31 V138 | L30-V136 PolarHBondContact O-N 3.04Å; V31-V136 HydrophobicContact CG2-CB 4.37Å; V136-V138 HydrophobicContact CG1-CG2 4.31Å |
| 137 | D | 52 | Low | 63.6 | Low | 41 Ų | 41 | 39.4 Ų | 39.4 | 22% | 0.219 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.2 | 168.8 | -66.3 | -52.8 | 0 | 0 | 0 | 108.8 | E34 K125 T134 G139 | E34-D137 HydrophobicContact CG-CB 3.82Å; E34-D137 VanDerWaalsContact OE1-CB 3.24Å; E34-D137 WeakPolarHBondContact OE1-CB 3.46Å; K125-D137 VanDerWaalsContact NZ-CG 3.26Å; K125-D137 IonicContact NZ-OD1 2.89Å; K125-D137 IonicContact NZ-OD2 2.65Å; K125-D137 PolarHBondContact NZ-OD2 3.05Å; T134-D137 PolarHBondContact OG1-OD1 2.94Å; D137-G139 PolarHBondContact O-N 2.91Å |
| 138 | V | 43.5 | Very low | 63 | Low | 58 Ų | 58 | 42.8 Ų | 42.8 | 35% | 0.352 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 111.6 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | V31 R32 E34 V136 | V31-V138 HydrophobicContact CG1-CG2 3.73Å; R32-V138 PolarHBondContact O-N 3.14Å; E34-V138 PolarHBondContact N-O 3.15Å; V136-V138 HydrophobicContact CG1-CG2 4.31Å |
| 139 | G | 41.7 | Very low | 62.5 | Low | 17 Ų | 17 | 42.8 Ų | 42.8 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | trans | -144.5 | 173.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D137 N141 F142 | D137-G139 PolarHBondContact O-N 2.91Å; G139-N141 PolarHBondContact O-N 3.35Å; G139-N141 VanDerWaalsContact O-N 3.13Å; G139-F142 WeakPolarHBondContact O-CD2 3.47Å; G139-F142 WeakPolarHBondContact O-CE2 3.31Å | ||
| 140 | N | 38.3 | Very low | 62.5 | Low | 154 Ų | 154 | 42.9 Ų | 42.9 | 82% | 0.824 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -73.3 | 0.1 | -174.2 | -75.3 | -26.3 | 0 | 0 | 0 | 114.9 | ||
| 141 | N | 39 | Very low | 62.6 | Low | 98 Ų | 98 | 43 Ų | 43 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | trans | -128.7 | 68.6 | -176 | -76.6 | -27.9 | 0 | 0 | 0 | 111.2 | G139 A143 S144 L148 | G139-N141 PolarHBondContact O-N 3.35Å; G139-N141 VanDerWaalsContact O-N 3.13Å; N141-A143 PolarHBondContact O-N 3.29Å; N141-S144 PolarHBondContact O-N 2.9Å; N141-L148 HydrophobicContact CB-CD1 3.64Å; N141-L148 WeakPolarHBondContact ND2-CD1 3.4Å | ||
| 142 | F | 37.8 | Very low | 62.9 | Low | 124 Ų | 124 | 43.5 Ų | 43.5 | 54% | 0.544 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 1.4 | 179.8 | -78.3 | -89.1 | 0 | 0 | 0 | 116.4 | G139 W924 | G139-F142 WeakPolarHBondContact O-CD2 3.47Å; G139-F142 WeakPolarHBondContact O-CE2 3.31Å; F142-W924 HydrophobicContact CB-CH2 3.78Å; F142-W924 HydrophobicContact CB-CZ2 4.29Å; F142-W924 HydrophobicContact CB-CZ3 4.11Å; F142-W924 HydrophobicContact CD1-CH2 4.47Å; F142-W924 WeakPolarHBondContact O-CZ2 3.44Å |
| 143 | A | 37.2 | Very low | 63.5 | Low | 77 Ų | 77 | 43.6 Ų | 43.6 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 4.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N141 W924 | N141-A143 PolarHBondContact O-N 3.29Å; A143-W924 HydrophobicContact CB-CG 4.43Å |
| 144 | S | 49.1 | Very low | 64.8 | Low | 75 Ų | 75 | 45.4 Ų | 45.4 | 52% | 0.524 | 26% | 0.264 | S | S | . | . | trans | -134.3 | 140.8 | -178.1 | -175 | 0 | 0 | 0 | 0 | 112.4 | N141 A146 | N141-S144 PolarHBondContact O-N 2.9Å; S144-A146 PolarHBondContact O-N 3.41Å; S144-A146 VanDerWaalsContact OG-CB 3.3Å; S144-A146 WeakPolarHBondContact OG-CB 3.08Å; S144-A146 PolarHBondContact OG-N 3.16Å; S144-A146 VanDerWaalsContact OG-N 3.16Å | ||
| 145 | S | 62.6 | Low | 66.3 | Low | 71 Ų | 71 | 45.7 Ų | 45.7 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | trans | -76.1 | -5 | 169.3 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | L174 | S145-L174 VanDerWaalsContact O-CD2 3.28Å; S145-L174 WeakPolarHBondContact O-CD2 3.49Å | ||
| 146 | A | 76 | Confident | 68.3 | Low | 14 Ų | 14 | 44 Ų | 44 | 12% | 0.116 | 26% | 0.258 | C | S | . | . | trans | -64.4 | 138.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | S144 L148 L174 P176 | S144-A146 PolarHBondContact O-N 3.41Å; S144-A146 VanDerWaalsContact OG-CB 3.3Å; S144-A146 WeakPolarHBondContact OG-CB 3.08Å; S144-A146 PolarHBondContact OG-N 3.16Å; S144-A146 VanDerWaalsContact OG-N 3.16Å; A146-L148 PolarHBondContact O-N 2.84Å; A146-L174 WeakPolarHBondContact CA-O 3.46Å; A146-P176 HydrophobicContact CB-CG 3.85Å | ||
| 147 | I | 80.5 | Confident | 70.3 | Confident | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | trans | -78.2 | 112.3 | 174.1 | -62.2 | 171.2 | 0 | 0 | 0 | 108.2 | K125 T129 E149 L174 F175 | K125-I147 HydrophobicContact CB-CD1 3.89Å; K125-I147 HydrophobicContact CD-CD1 4.41Å; K125-I147 HydrophobicContact CD-CG1 4.31Å; K125-I147 HydrophobicContact CG-CD1 3.85Å; K125-I147 HydrophobicContact CG-CG1 4.24Å; T129-I147 HydrophobicContact CG2-CG2 4.07Å; I147-E149 HydrophobicContact CG2-CG 3.73Å; I147-L174 HydrophobicContact CD1-CB 4.08Å; I147-L174 HydrophobicContact CD1-CD1 4.39Å; I147-L174 HydrophobicContact CD1-CD2 4.26Å; I147-L174 HydrophobicContact CD1-CG 4.48Å; I147-L174 HydrophobicContact CG1-CB 4.34Å; I147-L174 HydrophobicContact CG1-CD2 4.18Å; I147-L174 PolarHBondContact N-O 2.89Å; I147-F175 HydrophobicContact CB-CE1 4.25Å; I147-F175 HydrophobicContact CD1-CE1 3.88Å; I147-F175 HydrophobicContact CD1-CE2 4.15Å; I147-F175 HydrophobicContact CD1-CZ 3.54Å | ||
| 148 | L | 78.3 | Confident | 72.2 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 41% | 0.414 | 29% | 0.286 | S | S | . | . | trans | -96.8 | -24 | -178.9 | -60.4 | 172.3 | 0 | 0 | 0 | 113 | N141 A146 | N141-L148 HydrophobicContact CB-CD1 3.64Å; N141-L148 WeakPolarHBondContact ND2-CD1 3.4Å; A146-L148 PolarHBondContact O-N 2.84Å | ||
| 149 | E | 85.3 | Confident | 74.4 | Confident | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -65.4 | 157.1 | 174.1 | 63.9 | 178.1 | 142.6 | 0 | 0 | 111.5 | R32 K125 T129 I147 N151 S328 | R32-E149 IonicContact CZ-OE2 2.81Å; R32-E149 VanDerWaalsContact NH2-CD 3.29Å; R32-E149 IonicContact NH2-OE1 3.46Å; R32-E149 PolarHBondContact NH2-OE1 3.39Å; R32-E149 IonicContact NH2-OE2 3.25Å; R32-E149 PolarHBondContact NH2-OE2 3.08Å; K125-E149 WeakPolarHBondContact CE-OE1 3.18Å; K125-E149 IonicContact NZ-OE1 2.75Å; T129-E149 HydrophobicContact CG2-CG 3.79Å; I147-E149 HydrophobicContact CG2-CG 3.73Å; E149-N151 PolarHBondContact O-N 2.87Å; E149-N151 PolarHBondContact O-ND2 2.95Å; E149-S328 VanDerWaalsContact OE2-CB 3.32Å; E149-S328 WeakPolarHBondContact OE2-CB 3.13Å; E149-S328 PolarHBondContact OE2-OG 2.9Å |
| 150 | D | 92.8 | Very high | 76.9 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.011 | 31% | 0.307 | C | S | . | . | trans | -59.7 | 137.1 | 175.7 | -169.1 | 20.9 | 0 | 0 | 0 | 110.8 | R37 T38 S39 H154 Q155 P326 F327 | R37-D150 VanDerWaalsContact O-CB 3.25Å; R37-D150 WeakPolarHBondContact O-CB 3.41Å; T38-D150 WeakPolarHBondContact CA-OD2 3.4Å; T38-D150 HydrophobicContact CG2-CB 4.05Å; S39-D150 PolarHBondContact N-OD2 2.82Å; D150-H154 IonicContact OD1-CD2 3.55Å; D150-Q155 VanDerWaalsContact CG-NE2 3.26Å; D150-Q155 WeakPolarHBondContact OD1-CG 3.3Å; D150-Q155 PolarHBondContact OD1-NE2 2.87Å; D150-Q155 PolarHBondContact OD2-NE2 2.89Å; D150-P326 WeakPolarHBondContact OD2-CA 3.36Å; D150-F327 HydrophobicContact CB-CB 4.01Å; D150-F327 PolarHBondContact OD2-N 3.5Å | ||
| 151 | N | 94.1 | Very high | 79.5 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | trans | -152.5 | 162.2 | -172.3 | 64.2 | 80.9 | 0 | 0 | 0 | 110.6 | T129 E149 I153 H154 Q155 F175 | T129-N151 HydrophobicContact CG2-CB 3.9Å; E149-N151 PolarHBondContact O-N 2.87Å; E149-N151 PolarHBondContact O-ND2 2.95Å; N151-I153 VanDerWaalsContact C-N 3.34Å; N151-I153 PolarHBondContact O-N 3.43Å; N151-I153 WeakPolarHBondContact OD1-CB 3.29Å; N151-I153 PolarHBondContact OD1-N 3.42Å; N151-H154 WeakPolarHBondContact O-CB 3.38Å; N151-H154 PolarHBondContact O-N 3.4Å; N151-H154 VanDerWaalsContact O-N 3.14Å; N151-H154 PolarHBondContact OD1-N 3.21Å; N151-Q155 WeakPolarHBondContact O-CG 3.5Å; N151-Q155 PolarHBondContact O-N 3.09Å; N151-F175 HydrophobicContact CB-CE1 4.43Å; N151-F175 WeakPolarHBondContact OD1-CE1 3.46Å | ||
| 152 | F | 95.3 | Very high | 82.3 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 4% | 0.044 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -40.2 | -174.3 | -178.8 | -124.6 | 0 | 0 | 0 | 112.9 | T128 H154 Q155 L156 V314 L317 A318 L321 P326 | T128-F152 WeakPolarHBondContact O-CB 3.38Å; T128-F152 PolarHBondContact O-N 3.04Å; F152-H154 VanDerWaalsContact C-N 3.32Å; F152-H154 PolarHBondContact O-N 3Å; F152-Q155 PolarHBondContact O-N 3.05Å; F152-L156 HydrophobicContact CD1-CD1 3.96Å; F152-L156 HydrophobicContact CD2-CD1 4.37Å; F152-L156 HydrophobicContact CD2-CG 4.31Å; F152-L156 HydrophobicContact CE1-CD1 3.62Å; F152-L156 HydrophobicContact CE1-CG 4.44Å; F152-L156 HydrophobicContact CE2-CD1 4.05Å; F152-L156 HydrophobicContact CE2-CD2 4.12Å; F152-L156 HydrophobicContact CE2-CG 3.97Å; F152-L156 HydrophobicContact CG-CD1 4.32Å; F152-L156 HydrophobicContact CZ-CD1 3.66Å; F152-L156 HydrophobicContact CZ-CD2 4.11Å; F152-L156 HydrophobicContact CZ-CG 4.04Å; F152-L156 VanDerWaalsContact O-CG 3.27Å; F152-L156 WeakPolarHBondContact O-CG 3.26Å; F152-L156 PolarHBondContact O-N 2.74Å; F152-V314 HydrophobicContact CB-CG1 4.29Å; F152-L317 HydrophobicContact CE1-CB 4.26Å; F152-L317 HydrophobicContact CE1-CD1 4.14Å; F152-L317 HydrophobicContact CE2-CB 4.12Å; F152-L317 HydrophobicContact CZ-CB 3.75Å; F152-L317 HydrophobicContact CZ-CD1 4.4Å; F152-A318 HydrophobicContact CD2-CB 4.46Å; F152-A318 HydrophobicContact CE2-CB 4.49Å; F152-L321 HydrophobicContact CE2-CD1 4.24Å; F152-L321 HydrophobicContact CZ-CD1 3.63Å; F152-P326 HydrophobicContact CB-CG 4.34Å |
| 153 | I | 95.7 | Very high | 85.2 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 177.6 | -51.2 | -52.8 | 0 | 0 | 0 | 110.6 | T128 N151 G157 W171 F175 K178 F179 L217 | T128-I153 HydrophobicContact CG2-CG1 4.39Å; N151-I153 VanDerWaalsContact C-N 3.34Å; N151-I153 PolarHBondContact O-N 3.43Å; N151-I153 WeakPolarHBondContact OD1-CB 3.29Å; N151-I153 PolarHBondContact OD1-N 3.42Å; I153-G157 PolarHBondContact O-N 3.02Å; I153-G157 VanDerWaalsContact O-N 3.14Å; I153-W171 HydrophobicContact CD1-CZ3 4.48Å; I153-W171 HydrophobicContact CG1-CZ3 4.48Å; I153-F175 HydrophobicContact CB-CD1 4.31Å; I153-F175 HydrophobicContact CB-CE1 4.36Å; I153-F175 HydrophobicContact CG1-CD1 4.43Å; I153-F175 HydrophobicContact CG1-CE1 4.18Å; I153-F175 HydrophobicContact CG1-CZ 4.24Å; I153-K178 HydrophobicContact CG2-CB 4.19Å; I153-F179 HydrophobicContact CG2-CD1 4.24Å; I153-F179 HydrophobicContact CG2-CE1 3.8Å; I153-F179 HydrophobicContact CG2-CZ 4.42Å; I153-L217 HydrophobicContact CD1-CD1 3.65Å |
| 154 | H | 94.3 | Very high | 88 | Confident | 39 Ų | 39 | 35 Ų | 35 | 18% | 0.181 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 175.9 | -175.9 | 45.7 | 0 | 0 | 0 | 112.1 | D150 N151 F152 L156 G157 Q158 | D150-H154 IonicContact OD1-CD2 3.55Å; N151-H154 WeakPolarHBondContact O-CB 3.38Å; N151-H154 PolarHBondContact O-N 3.4Å; N151-H154 VanDerWaalsContact O-N 3.14Å; N151-H154 PolarHBondContact OD1-N 3.21Å; F152-H154 VanDerWaalsContact C-N 3.32Å; F152-H154 PolarHBondContact O-N 3Å; H154-L156 PolarHBondContact O-N 3.33Å; H154-G157 PolarHBondContact O-N 3.3Å; H154-Q158 PolarHBondContact CE1-NE2 2.93Å; H154-Q158 WeakPolarHBondContact O-CG 3.35Å; H154-Q158 PolarHBondContact O-N 3.47Å |
| 155 | Q | 94.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 178 | -72.3 | -66.1 | -19.8 | 0 | 0 | 112.3 | S39 D150 N151 F152 G157 Q158 M159 P326 | S39-Q155 PolarHBondContact O-NE2 3.3Å; D150-Q155 VanDerWaalsContact CG-NE2 3.26Å; D150-Q155 WeakPolarHBondContact OD1-CG 3.3Å; D150-Q155 PolarHBondContact OD1-NE2 2.87Å; D150-Q155 PolarHBondContact OD2-NE2 2.89Å; N151-Q155 WeakPolarHBondContact O-CG 3.5Å; N151-Q155 PolarHBondContact O-N 3.09Å; F152-Q155 PolarHBondContact O-N 3.05Å; Q155-G157 PolarHBondContact O-N 3.38Å; Q155-Q158 PolarHBondContact O-N 3.05Å; Q155-M159 WeakPolarHBondContact O-CG 3.47Å; Q155-M159 PolarHBondContact O-N 3.29Å; Q155-P326 HydrophobicContact CG-CG 4.22Å |
| 156 | L | 95.1 | Very high | 92 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.8 | -47.2 | 173.5 | -73.7 | 167 | 0 | 0 | 0 | 111.7 | F152 H154 M159 G160 K161 V163 V215 L321 T323 | F152-L156 HydrophobicContact CD1-CD1 3.96Å; F152-L156 HydrophobicContact CD2-CD1 4.37Å; F152-L156 HydrophobicContact CD2-CG 4.31Å; F152-L156 HydrophobicContact CE1-CD1 3.62Å; F152-L156 HydrophobicContact CE1-CG 4.44Å; F152-L156 HydrophobicContact CE2-CD1 4.05Å; F152-L156 HydrophobicContact CE2-CD2 4.12Å; F152-L156 HydrophobicContact CE2-CG 3.97Å; F152-L156 HydrophobicContact CG-CD1 4.32Å; F152-L156 HydrophobicContact CZ-CD1 3.66Å; F152-L156 HydrophobicContact CZ-CD2 4.11Å; F152-L156 HydrophobicContact CZ-CG 4.04Å; F152-L156 VanDerWaalsContact O-CG 3.27Å; F152-L156 WeakPolarHBondContact O-CG 3.26Å; F152-L156 PolarHBondContact O-N 2.74Å; H154-L156 PolarHBondContact O-N 3.33Å; L156-M159 CarbonylContact O-C 3.57Å; L156-M159 PolarHBondContact O-N 3.32Å; L156-G160 PolarHBondContact O-N 2.98Å; L156-K161 HydrophobicContact CB-CB 4.18Å; L156-K161 HydrophobicContact CD2-CB 4.16Å; L156-K161 HydrophobicContact CD2-CG 4.02Å; L156-K161 VanDerWaalsContact O-CB 3.31Å; L156-K161 WeakPolarHBondContact O-CB 3.46Å; L156-K161 PolarHBondContact O-N 3.04Å; L156-V163 HydrophobicContact CB-CG2 3.76Å; L156-V163 HydrophobicContact CD1-CG2 3.92Å; L156-V163 HydrophobicContact CG-CG2 4.47Å; L156-V215 HydrophobicContact CD1-CB 4.32Å; L156-V215 HydrophobicContact CD1-CG1 4.16Å; L156-V215 HydrophobicContact CD1-CG2 3.78Å; L156-V215 HydrophobicContact CD2-CG2 3.78Å; L156-V215 HydrophobicContact CG-CG2 4.38Å; L156-L321 HydrophobicContact CD2-CD1 4.36Å; L156-T323 HydrophobicContact CD2-CG2 4.09Å |
| 157 | G | 93.4 | Very high | 93 | Very high | 38 Ų | 38 | 27.3 Ų | 27.3 | 39% | 0.392 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I153 H154 Q155 M159 G160 | I153-G157 PolarHBondContact O-N 3.02Å; I153-G157 VanDerWaalsContact O-N 3.14Å; H154-G157 PolarHBondContact O-N 3.3Å; Q155-G157 PolarHBondContact O-N 3.38Å; G157-M159 VanDerWaalsContact C-N 3.28Å; G157-M159 PolarHBondContact O-N 3.43Å; G157-G160 PolarHBondContact O-N 3.21Å; G157-G160 VanDerWaalsContact O-N 3.07Å |
| 158 | Q | 91.8 | Very high | 93.2 | Very high | 136 Ų | 136 | 27 Ų | 27 | 64% | 0.636 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -63.5 | -34.7 | 174.7 | -72.2 | -60.5 | -60.8 | 0 | 0 | 112.2 | H154 Q155 G160 | H154-Q158 PolarHBondContact CE1-NE2 2.93Å; H154-Q158 WeakPolarHBondContact O-CG 3.35Å; H154-Q158 PolarHBondContact O-N 3.47Å; Q155-Q158 PolarHBondContact O-N 3.05Å; Q158-G160 PolarHBondContact O-N 2.82Å |
| 159 | M | 90.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 25.8 Ų | 25.8 | 33% | 0.33 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 8.4 | 174.7 | -68 | -60.5 | -58.9 | 0 | 0 | 113.6 | C55 Q155 L156 G157 K161 T323 | C55-M159 HydrophobicContact CB-CE 4.12Å; Q155-M159 WeakPolarHBondContact O-CG 3.47Å; Q155-M159 PolarHBondContact O-N 3.29Å; L156-M159 CarbonylContact O-C 3.57Å; L156-M159 PolarHBondContact O-N 3.32Å; G157-M159 VanDerWaalsContact C-N 3.28Å; G157-M159 PolarHBondContact O-N 3.43Å; M159-K161 VanDerWaalsContact C-N 3.27Å; M159-K161 HydrophobicContact CB-CG 4.33Å; M159-K161 PolarHBondContact O-N 3.47Å; M159-T323 HydrophobicContact CB-CG2 4.18Å; M159-T323 HydrophobicContact CG-CG2 3.9Å |
| 160 | G | 92.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 27.1 Ų | 27.1 | 63% | 0.629 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 15.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L156 G157 Q158 | L156-G160 PolarHBondContact O-N 2.98Å; G157-G160 PolarHBondContact O-N 3.21Å; G157-G160 VanDerWaalsContact O-N 3.07Å; Q158-G160 PolarHBondContact O-N 2.82Å |
| 161 | K | 94.5 | Very high | 93.2 | Very high | 47 Ų | 47 | 27.2 Ų | 27.2 | 20% | 0.204 | 16% | 0.155 | C | C | . | . | trans | -76.6 | 140.4 | 177.3 | -57.4 | -70.4 | -173.6 | 179.7 | 0 | 110.5 | L156 M159 V163 D214 | L156-K161 HydrophobicContact CB-CB 4.18Å; L156-K161 HydrophobicContact CD2-CB 4.16Å; L156-K161 HydrophobicContact CD2-CG 4.02Å; L156-K161 VanDerWaalsContact O-CB 3.31Å; L156-K161 WeakPolarHBondContact O-CB 3.46Å; L156-K161 PolarHBondContact O-N 3.04Å; M159-K161 VanDerWaalsContact C-N 3.27Å; M159-K161 HydrophobicContact CB-CG 4.33Å; M159-K161 PolarHBondContact O-N 3.47Å; K161-V163 PolarHBondContact O-N 3.41Å; K161-D214 HydrophobicContact CB-CB 4.24Å; K161-D214 HydrophobicContact CD-CB 4.15Å | ||
| 162 | R | 97.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 31 Ų | 31 | 25% | 0.245 | 17% | 0.172 | C | C | . | . | trans | -89.2 | 103.6 | 178.7 | -64.5 | 164.1 | -64.9 | 164.8 | 14.8 | 110.2 | Y180 D211 D214 V215 | R162-Y180 HydrophobicContact CB-CD1 4.07Å; R162-Y180 HydrophobicContact CB-CG 4.03Å; R162-Y180 HydrophobicContact CG-CD1 4.32Å; R162-Y180 HydrophobicContact CG-CD2 4.08Å; R162-Y180 HydrophobicContact CG-CE2 4.28Å; R162-Y180 HydrophobicContact CG-CG 4.11Å; R162-D211 PolarHBondContact NH1-O 2.89Å; R162-D211 PolarHBondContact NH2-O 2.72Å; R162-D214 WeakPolarHBondContact CB-OD2 3.48Å; R162-D214 IonicContact CZ-OD1 3.21Å; R162-D214 IonicContact CZ-OD2 3.54Å; R162-D214 PolarHBondContact N-OD2 2.89Å; R162-D214 IonicContact NE-OD1 3.41Å; R162-D214 IonicContact NE-OD2 2.84Å; R162-D214 PolarHBondContact NE-OD2 2.81Å; R162-D214 VanDerWaalsContact NE-OD2 3.09Å; R162-D214 IonicContact NH2-OD1 3.14Å; R162-D214 PolarHBondContact NH2-OD1 2.94Å; R162-D214 IonicContact NH2-OD2 3.36Å; R162-D214 PolarHBondContact O-N 2.89Å; R162-V215 PolarHBondContact O-N 3.07Å; R162-V215 VanDerWaalsContact O-N 3.1Å | ||
| 163 | V | 97.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.2 | 177.5 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | L156 K161 F179 Y180 V215 L217 | L156-V163 HydrophobicContact CB-CG2 3.76Å; L156-V163 HydrophobicContact CD1-CG2 3.92Å; L156-V163 HydrophobicContact CG-CG2 4.47Å; K161-V163 PolarHBondContact O-N 3.41Å; V163-F179 HydrophobicContact CB-CD1 4.3Å; V163-F179 HydrophobicContact CG1-CD1 3.8Å; V163-F179 HydrophobicContact CG1-CE1 4.07Å; V163-Y180 WeakPolarHBondContact O-CB 3.29Å; V163-Y180 PolarHBondContact O-N 3.4Å; V163-V215 WeakPolarHBondContact CA-O 3.37Å; V163-V215 HydrophobicContact CB-CB 4.46Å; V163-V215 HydrophobicContact CG1-CB 4.2Å; V163-V215 HydrophobicContact CG1-CG1 4.11Å; V163-V215 HydrophobicContact CG2-CB 4.22Å; V163-L217 HydrophobicContact CG1-CD1 3.99Å; V163-L217 HydrophobicContact CG1-CG 4.32Å |
| 164 | V | 98 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.7 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | M166 Y180 R181 T207 W213 V215 L216 L217 | V164-M166 HydrophobicContact CG1-CE 4.41Å; V164-Y180 HydrophobicContact CG2-CD1 4.36Å; V164-R181 WeakPolarHBondContact CA-O 3.47Å; V164-R181 HydrophobicContact CG1-CB 4.26Å; V164-R181 HydrophobicContact CG2-CB 4.28Å; V164-T207 HydrophobicContact CG1-CG2 4.14Å; V164-W213 HydrophobicContact CB-CB 4.43Å; V164-W213 HydrophobicContact CG2-CB 3.75Å; V164-V215 PolarHBondContact N-O 2.83Å; V164-L216 HydrophobicContact CB-CD1 3.86Å; V164-L216 HydrophobicContact CG1-CD1 3.86Å; V164-L216 WeakPolarHBondContact O-CA 3.32Å; V164-L217 PolarHBondContact O-N 2.99Å |
| 165 | F | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.2 | -179.4 | 168.5 | -103.6 | 0 | 0 | 0 | 111.6 | D168 W171 F179 R181 S182 L183 L217 H219 | F165-D168 WeakPolarHBondContact CZ-O 3Å; F165-W171 HydrophobicContact CD1-CB 4.21Å; F165-W171 HydrophobicContact CD2-CB 4.28Å; F165-W171 HydrophobicContact CD2-CD2 4.17Å; F165-W171 HydrophobicContact CD2-CG 4.1Å; F165-W171 HydrophobicContact CE1-CB 3.66Å; F165-W171 HydrophobicContact CE1-CG 4.22Å; F165-W171 HydrophobicContact CE2-CB 3.74Å; F165-W171 AromaticContact CE2-CD1 3.49Å; F165-W171 VanDerWaalsContact CE2-CD1 3.49Å; F165-W171 AromaticContact CE2-CD2 3.77Å; F165-W171 HydrophobicContact CE2-CD2 3.77Å; F165-W171 AromaticContact CE2-CG 3.38Å; F165-W171 HydrophobicContact CE2-CG 3.38Å; F165-W171 AromaticContact CE2-NE1 3.87Å; F165-W171 HydrophobicContact CZ-CB 3.42Å; F165-W171 VanDerWaalsContact CZ-CB 3.42Å; F165-W171 AromaticContact CZ-CD1 3.51Å; F165-W171 HydrophobicContact CZ-CD2 4.34Å; F165-W171 AromaticContact CZ-CG 3.48Å; F165-W171 HydrophobicContact CZ-CG 3.48Å; F165-W171 VanDerWaalsContact CZ-CG 3.48Å; F165-F179 HydrophobicContact CB-CD1 3.63Å; F165-F179 HydrophobicContact CB-CD2 4.09Å; F165-F179 HydrophobicContact CB-CE1 3.75Å; F165-F179 HydrophobicContact CB-CE2 4.18Å; F165-F179 HydrophobicContact CB-CG 3.82Å; F165-F179 HydrophobicContact CB-CZ 4.04Å; F165-F179 HydrophobicContact CD1-CD2 4.46Å; F165-F179 HydrophobicContact CD1-CE2 4.28Å; F165-F179 HydrophobicContact CG-CD2 4.46Å; F165-F179 HydrophobicContact CG-CE1 4.32Å; F165-F179 HydrophobicContact CG-CE2 4.2Å; F165-F179 HydrophobicContact CG-CZ 4.14Å; F165-R181 PolarHBondContact N-O 2.96Å; F165-S182 CarbonylContact O-C 3.48Å; F165-S182 WeakPolarHBondContact O-CA 3.37Å; F165-L183 PolarHBondContact O-N 3.36Å; F165-L217 CarbonylContact C-O 3.58Å; F165-L217 WeakPolarHBondContact CA-O 3.39Å; F165-L217 HydrophobicContact CD2-CB 4.06Å; F165-H219 HydrophobicContact CE2-CB 4.35Å |
| 166 | M | 97.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 134.8 | 169.2 | 58.6 | -170.2 | 69.4 | 0 | 0 | 111.2 | V164 L183 I200 H203 L204 T207 L216 L217 A218 H219 | V164-M166 HydrophobicContact CG1-CE 4.41Å; M166-L183 WeakPolarHBondContact CA-O 3.39Å; M166-L183 HydrophobicContact CB-CB 3.94Å; M166-L183 HydrophobicContact CB-CD1 4.37Å; M166-L183 HydrophobicContact CE-CD1 4.39Å; M166-I200 HydrophobicContact CB-CG1 4.4Å; M166-I200 HydrophobicContact CG-CG1 4.25Å; M166-I200 HydrophobicContact CG-CG2 4.01Å; M166-I200 HydrophobicContact SD-CG2 3.81Å; M166-H203 HydrophobicContact CE-CB 4.37Å; M166-L204 HydrophobicContact SD-CB 3.96Å; M166-L204 HydrophobicContact SD-CD1 3.97Å; M166-T207 HydrophobicContact CE-CG2 4.49Å; M166-L216 HydrophobicContact CE-CD1 3.72Å; M166-L217 PolarHBondContact N-O 3.41Å; M166-A218 HydrophobicContact CG-CB 3.91Å; M166-A218 VanDerWaalsContact O-CA 3.32Å; M166-A218 WeakPolarHBondContact O-CA 3.47Å; M166-A218 HydrophobicContact SD-CB 4.4Å; M166-H219 PolarHBondContact O-N 2.76Å |
| 167 | G | 95.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.7 | -143.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | D169 L183 P184 F185 H219 | G167-D169 PolarHBondContact O-N 3.42Å; G167-L183 PolarHBondContact N-O 3.23Å; G167-L183 VanDerWaalsContact N-O 3.07Å; G167-P184 CarbonylContact O-C 3.54Å; G167-P184 WeakPolarHBondContact O-CA 3.34Å; G167-F185 PolarHBondContact O-N 3.06Å; G167-H219 WeakPolarHBondContact CA-O 3.36Å |
| 168 | D | 86.4 | Confident | 90.7 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -46.8 | 121.5 | -179.7 | 175.1 | 8.5 | 0 | 0 | 0 | 114.9 | F165 T170 W171 S187 H219 L221 | F165-D168 WeakPolarHBondContact CZ-O 3Å; D168-T170 PolarHBondContact O-N 3.11Å; D168-T170 VanDerWaalsContact O-N 3.11Å; D168-T170 WeakPolarHBondContact OD1-CB 3.47Å; D168-T170 PolarHBondContact OD1-N 3.33Å; D168-T170 PolarHBondContact OD1-OG1 3.4Å; D168-T170 WeakPolarHBondContact OD2-CB 3.36Å; D168-T170 PolarHBondContact OD2-OG1 2.86Å; D168-W171 PolarHBondContact O-N 3.11Å; D168-S187 WeakPolarHBondContact OD1-CB 3.11Å; D168-S187 PolarHBondContact OD1-OG 2.67Å; D168-S187 VanDerWaalsContact OD1-OG 3.08Å; D168-H219 VanDerWaalsContact CB-ND1 3.31Å; D168-H219 WeakPolarHBondContact CB-ND1 3.45Å; D168-H219 IonicContact OD2-CE1 3.89Å; D168-H219 IonicContact OD2-ND1 3.71Å; D168-L221 HydrophobicContact CB-CD1 4.15Å; D168-L221 HydrophobicContact CB-CD2 4.25Å; D168-L221 HydrophobicContact CB-CG 4.43Å |
| 169 | D | 82.6 | Confident | 90.9 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.2 | 177.7 | 64.4 | -16.5 | 0 | 0 | 0 | 115 | G167 W171 E172 N173 P184 F185 S187 | G167-D169 PolarHBondContact O-N 3.42Å; D169-W171 PolarHBondContact O-N 3.12Å; D169-E172 PolarHBondContact O-N 3.45Å; D169-E172 VanDerWaalsContact O-N 3.16Å; D169-N173 PolarHBondContact O-ND2 3.46Å; D169-P184 HydrophobicContact CB-CB 3.94Å; D169-F185 WeakPolarHBondContact CB-O 3.28Å; D169-F185 PolarHBondContact N-O 3.19Å; D169-F185 VanDerWaalsContact N-O 3.11Å; D169-S187 WeakPolarHBondContact OD1-CB 3.3Å; D169-S187 PolarHBondContact OD1-N 3.21Å; D169-S187 PolarHBondContact OD1-OG 3.11Å |
| 170 | T | 81.8 | Confident | 91.1 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.2 | -35.5 | 170.5 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | M121 I124 D168 E172 N173 L174 | M121-T170 HydrophobicContact CB-CG2 4.24Å; M121-T170 HydrophobicContact CG-CG2 4.16Å; I124-T170 HydrophobicContact CD1-CG2 4.36Å; D168-T170 PolarHBondContact O-N 3.11Å; D168-T170 VanDerWaalsContact O-N 3.11Å; D168-T170 WeakPolarHBondContact OD1-CB 3.47Å; D168-T170 PolarHBondContact OD1-N 3.33Å; D168-T170 PolarHBondContact OD1-OG1 3.4Å; D168-T170 WeakPolarHBondContact OD2-CB 3.36Å; D168-T170 PolarHBondContact OD2-OG1 2.86Å; T170-E172 VanDerWaalsContact C-N 3.33Å; T170-E172 PolarHBondContact O-N 3.48Å; T170-N173 PolarHBondContact O-N 3Å; T170-L174 HydrophobicContact CG2-CD1 3.93Å; T170-L174 HydrophobicContact CG2-CG 4.18Å; T170-L174 WeakPolarHBondContact O-CG 3.27Å; T170-L174 PolarHBondContact O-N 3.33Å |
| 171 | W | 90.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -36.7 | 179.5 | -78.5 | 83.1 | 0 | 0 | 0 | 113.3 | I68 I124 F127 T128 I153 F165 D168 D169 N173 L174 F175 F179 L217 H219 | I68-W171 HydrophobicContact CD1-CH2 4.09Å; I68-W171 HydrophobicContact CD1-CZ2 3.49Å; I68-W171 VanDerWaalsContact CD1-CZ2 3.49Å; I124-W171 HydrophobicContact CD1-CG 4.46Å; I124-W171 HydrophobicContact CG1-CZ2 4.05Å; I124-W171 HydrophobicContact CG2-CD2 3.95Å; I124-W171 HydrophobicContact CG2-CE3 4.01Å; I124-W171 HydrophobicContact CG2-CH2 4Å; I124-W171 HydrophobicContact CG2-CZ2 3.84Å; I124-W171 HydrophobicContact CG2-CZ3 4.06Å; F127-W171 AromaticContact CE2-CH2 3.74Å; F127-W171 HydrophobicContact CE2-CH2 3.74Å; F127-W171 AromaticContact CE2-CZ2 3.77Å; F127-W171 HydrophobicContact CE2-CZ2 3.77Å; F127-W171 HydrophobicContact CZ-CH2 4.37Å; F127-W171 AromaticContact CZ-CZ2 3.93Å; F127-W171 HydrophobicContact CZ-CZ2 3.93Å; T128-W171 HydrophobicContact CG2-CH2 3.81Å; T128-W171 HydrophobicContact CG2-CZ3 3.82Å; I153-W171 HydrophobicContact CD1-CZ3 4.48Å; I153-W171 HydrophobicContact CG1-CZ3 4.48Å; F165-W171 HydrophobicContact CD1-CB 4.21Å; F165-W171 HydrophobicContact CD2-CB 4.28Å; F165-W171 HydrophobicContact CD2-CD2 4.17Å; F165-W171 HydrophobicContact CD2-CG 4.1Å; F165-W171 HydrophobicContact CE1-CB 3.66Å; F165-W171 HydrophobicContact CE1-CG 4.22Å; F165-W171 HydrophobicContact CE2-CB 3.74Å; F165-W171 AromaticContact CE2-CD1 3.49Å; F165-W171 VanDerWaalsContact CE2-CD1 3.49Å; F165-W171 AromaticContact CE2-CD2 3.77Å; F165-W171 HydrophobicContact CE2-CD2 3.77Å; F165-W171 AromaticContact CE2-CG 3.38Å; F165-W171 HydrophobicContact CE2-CG 3.38Å; F165-W171 AromaticContact CE2-NE1 3.87Å; F165-W171 HydrophobicContact CZ-CB 3.42Å; F165-W171 VanDerWaalsContact CZ-CB 3.42Å; F165-W171 AromaticContact CZ-CD1 3.51Å; F165-W171 HydrophobicContact CZ-CD2 4.34Å; F165-W171 AromaticContact CZ-CG 3.48Å; F165-W171 HydrophobicContact CZ-CG 3.48Å; F165-W171 VanDerWaalsContact CZ-CG 3.48Å; D168-W171 PolarHBondContact O-N 3.11Å; D169-W171 PolarHBondContact O-N 3.12Å; W171-N173 VanDerWaalsContact C-N 3.32Å; W171-L174 PolarHBondContact O-N 3.04Å; W171-F175 AromaticContact CE3-CD2 3.67Å; W171-F175 HydrophobicContact CE3-CD2 3.67Å; W171-F175 AromaticContact CE3-CE2 3.53Å; W171-F175 HydrophobicContact CE3-CE2 3.53Å; W171-F175 HydrophobicContact CZ3-CD2 4.23Å; W171-F175 AromaticContact CZ3-CE2 3.74Å; W171-F175 HydrophobicContact CZ3-CE2 3.74Å; W171-F175 WeakPolarHBondContact O-CB 3.49Å; W171-F175 WeakPolarHBondContact O-CD2 3.39Å; W171-F175 PolarHBondContact O-N 3.06Å; W171-F179 HydrophobicContact CB-CE2 4.38Å; W171-F179 HydrophobicContact CB-CZ 4.49Å; W171-F179 AromaticContact CE3-CZ 3.83Å; W171-F179 HydrophobicContact CE3-CZ 3.83Å; W171-F179 HydrophobicContact CZ3-CZ 4.47Å; W171-L217 HydrophobicContact CH2-CD1 4.22Å; W171-L217 HydrophobicContact CZ3-CD1 3.97Å; W171-H219 AromaticContact CD1-ND1 3.83Å; W171-H219 AromaticContact NE1-CG 3.79Å; W171-H219 AromaticContact NE1-ND1 3.26Å; W171-H219 PolarHBondContact NE1-ND1 3.37Å |
| 172 | E | 86.8 | Confident | 91.3 | Very high | 83 Ų | 83 | 47.8 Ų | 47.8 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.1 | -33.1 | 179.6 | -171.4 | 166.8 | -137.1 | 0 | 0 | 111.6 | D169 T170 F175 P176 P184 | D169-E172 PolarHBondContact O-N 3.45Å; D169-E172 VanDerWaalsContact O-N 3.16Å; T170-E172 VanDerWaalsContact C-N 3.33Å; T170-E172 PolarHBondContact O-N 3.48Å; E172-F175 CarbonylContact O-C 3.56Å; E172-P176 WeakPolarHBondContact O-CA 3.46Å; E172-P184 WeakPolarHBondContact OE2-CG 3.47Å |
| 173 | N | 79.8 | Confident | 91.3 | Very high | 95 Ų | 95 | 46.7 Ų | 46.7 | 51% | 0.508 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.6 | -38 | 173.3 | -66.7 | -44.1 | 0 | 0 | 0 | 112.2 | D169 T170 W171 | D169-N173 PolarHBondContact O-ND2 3.46Å; T170-N173 PolarHBondContact O-N 3Å; W171-N173 VanDerWaalsContact C-N 3.32Å |
| 174 | L | 85.4 | Confident | 91 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.1 | -35.7 | 178.2 | -68.4 | 177.4 | 0 | 0 | 0 | 112.6 | M121 I124 S145 A146 I147 T170 W171 P176 | M121-L174 HydrophobicContact CG-CD1 4.17Å; M121-L174 HydrophobicContact CG-CD2 3.97Å; M121-L174 HydrophobicContact CG-CG 4.5Å; M121-L174 HydrophobicContact SD-CD2 4.47Å; I124-L174 HydrophobicContact CB-CD1 3.92Å; I124-L174 HydrophobicContact CD1-CD1 4.35Å; I124-L174 HydrophobicContact CG2-CD1 3.57Å; S145-L174 VanDerWaalsContact O-CD2 3.28Å; S145-L174 WeakPolarHBondContact O-CD2 3.49Å; A146-L174 WeakPolarHBondContact CA-O 3.46Å; I147-L174 HydrophobicContact CD1-CB 4.08Å; I147-L174 HydrophobicContact CD1-CD1 4.39Å; I147-L174 HydrophobicContact CD1-CD2 4.26Å; I147-L174 HydrophobicContact CD1-CG 4.48Å; I147-L174 HydrophobicContact CG1-CB 4.34Å; I147-L174 HydrophobicContact CG1-CD2 4.18Å; I147-L174 PolarHBondContact N-O 2.89Å; T170-L174 HydrophobicContact CG2-CD1 3.93Å; T170-L174 HydrophobicContact CG2-CG 4.18Å; T170-L174 WeakPolarHBondContact O-CG 3.27Å; T170-L174 PolarHBondContact O-N 3.33Å; W171-L174 PolarHBondContact O-N 3.04Å; L174-P176 VanDerWaalsContact C-CD 3.41Å; L174-P176 WeakPolarHBondContact O-CD 3.38Å |
| 175 | F | 90.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -124.7 | 60 | -175.3 | -58.1 | -77 | 0 | 0 | 0 | 112.7 | I124 T128 I147 N151 I153 W171 E172 K177 K178 F179 | I124-F175 HydrophobicContact CG2-CE2 3.89Å; T128-F175 HydrophobicContact CG2-CE2 4.27Å; T128-F175 HydrophobicContact CG2-CZ 3.87Å; T128-F175 WeakPolarHBondContact OG1-CZ 3.2Å; I147-F175 HydrophobicContact CB-CE1 4.25Å; I147-F175 HydrophobicContact CD1-CE1 3.88Å; I147-F175 HydrophobicContact CD1-CE2 4.15Å; I147-F175 HydrophobicContact CD1-CZ 3.54Å; N151-F175 HydrophobicContact CB-CE1 4.43Å; N151-F175 WeakPolarHBondContact OD1-CE1 3.46Å; I153-F175 HydrophobicContact CB-CD1 4.31Å; I153-F175 HydrophobicContact CB-CE1 4.36Å; I153-F175 HydrophobicContact CG1-CD1 4.43Å; I153-F175 HydrophobicContact CG1-CE1 4.18Å; I153-F175 HydrophobicContact CG1-CZ 4.24Å; W171-F175 AromaticContact CE3-CD2 3.67Å; W171-F175 HydrophobicContact CE3-CD2 3.67Å; W171-F175 AromaticContact CE3-CE2 3.53Å; W171-F175 HydrophobicContact CE3-CE2 3.53Å; W171-F175 HydrophobicContact CZ3-CD2 4.23Å; W171-F175 AromaticContact CZ3-CE2 3.74Å; W171-F175 HydrophobicContact CZ3-CE2 3.74Å; W171-F175 WeakPolarHBondContact O-CB 3.49Å; W171-F175 WeakPolarHBondContact O-CD2 3.39Å; W171-F175 PolarHBondContact O-N 3.06Å; E172-F175 CarbonylContact O-C 3.56Å; F175-K177 PolarHBondContact O-N 3.26Å; F175-K177 VanDerWaalsContact O-N 3.13Å; F175-K178 HydrophobicContact CB-CB 3.99Å; F175-K178 HydrophobicContact CB-CG 4.04Å; F175-K178 PolarHBondContact O-N 2.93Å; F175-K178 VanDerWaalsContact O-N 3.16Å; F175-F179 HydrophobicContact CB-CE2 3.87Å; F175-F179 HydrophobicContact CB-CZ 4.03Å; F175-F179 HydrophobicContact CD2-CZ 4.11Å; F175-F179 HydrophobicContact CG-CZ 4.32Å |
| 176 | P | 87.2 | Confident | 89.1 | Confident | 64 Ų | 64 | 55 Ų | 55 | 42% | 0.416 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 122.2 | -173.9 | 24.9 | -34.6 | 0 | 0 | 0 | 111 | A146 E172 L174 K178 | A146-P176 HydrophobicContact CB-CG 3.85Å; E172-P176 WeakPolarHBondContact O-CA 3.46Å; L174-P176 VanDerWaalsContact C-CD 3.41Å; L174-P176 WeakPolarHBondContact O-CD 3.38Å; P176-K178 VanDerWaalsContact C-N 3.26Å; P176-K178 PolarHBondContact O-N 3.48Å |
| 177 | K | 88.7 | Confident | 87.6 | Confident | 210 Ų | 210 | 55.8 Ų | 55.8 | 91% | 0.913 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 28.4 | 178.6 | -50.7 | 179.7 | -179 | 179.2 | 0 | 114.7 | F175 | F175-K177 PolarHBondContact O-N 3.26Å; F175-K177 VanDerWaalsContact O-N 3.13Å |
| 178 | K | 91.9 | Very high | 85.7 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 39% | 0.391 | 31% | 0.306 | S | S | . | . | trans | -96.2 | -19.7 | 177.4 | -59.4 | -65.6 | -176.5 | 170.9 | 0 | 114 | I153 F175 P176 | I153-K178 HydrophobicContact CG2-CB 4.19Å; F175-K178 HydrophobicContact CB-CB 3.99Å; F175-K178 HydrophobicContact CB-CG 4.04Å; F175-K178 PolarHBondContact O-N 2.93Å; F175-K178 VanDerWaalsContact O-N 3.16Å; P176-K178 VanDerWaalsContact C-N 3.26Å; P176-K178 PolarHBondContact O-N 3.48Å | ||
| 179 | F | 95.5 | Very high | 84.3 | Confident | 26 Ų | 26 | 66 Ų | 66 | 11% | 0.114 | 33% | 0.328 | C | S | . | . | trans | -83.3 | 146.6 | 178.4 | -59.8 | -65.3 | 0 | 0 | 0 | 112 | I153 V163 F165 W171 F175 L217 | I153-F179 HydrophobicContact CG2-CD1 4.24Å; I153-F179 HydrophobicContact CG2-CE1 3.8Å; I153-F179 HydrophobicContact CG2-CZ 4.42Å; V163-F179 HydrophobicContact CB-CD1 4.3Å; V163-F179 HydrophobicContact CG1-CD1 3.8Å; V163-F179 HydrophobicContact CG1-CE1 4.07Å; F165-F179 HydrophobicContact CB-CD1 3.63Å; F165-F179 HydrophobicContact CB-CD2 4.09Å; F165-F179 HydrophobicContact CB-CE1 3.75Å; F165-F179 HydrophobicContact CB-CE2 4.18Å; F165-F179 HydrophobicContact CB-CG 3.82Å; F165-F179 HydrophobicContact CB-CZ 4.04Å; F165-F179 HydrophobicContact CD1-CD2 4.46Å; F165-F179 HydrophobicContact CD1-CE2 4.28Å; F165-F179 HydrophobicContact CG-CD2 4.46Å; F165-F179 HydrophobicContact CG-CE1 4.32Å; F165-F179 HydrophobicContact CG-CE2 4.2Å; F165-F179 HydrophobicContact CG-CZ 4.14Å; W171-F179 HydrophobicContact CB-CE2 4.38Å; W171-F179 HydrophobicContact CB-CZ 4.49Å; W171-F179 AromaticContact CE3-CZ 3.83Å; W171-F179 HydrophobicContact CE3-CZ 3.83Å; W171-F179 HydrophobicContact CZ3-CZ 4.47Å; F175-F179 HydrophobicContact CB-CE2 3.87Å; F175-F179 HydrophobicContact CB-CZ 4.03Å; F175-F179 HydrophobicContact CD2-CZ 4.11Å; F175-F179 HydrophobicContact CG-CZ 4.32Å; F179-L217 HydrophobicContact CE1-CD1 4.1Å | ||
| 180 | Y | 96 | Very high | 83.1 | Confident | 145 Ų | 145 | 66.4 Ų | 66.4 | 57% | 0.569 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -68.8 | -40.8 | 169.9 | 176.3 | -102.6 | 0 | 0 | 0 | 110.8 | R162 V163 V164 | R162-Y180 HydrophobicContact CB-CD1 4.07Å; R162-Y180 HydrophobicContact CB-CG 4.03Å; R162-Y180 HydrophobicContact CG-CD1 4.32Å; R162-Y180 HydrophobicContact CG-CD2 4.08Å; R162-Y180 HydrophobicContact CG-CE2 4.28Å; R162-Y180 HydrophobicContact CG-CG 4.11Å; V163-Y180 WeakPolarHBondContact O-CB 3.29Å; V163-Y180 PolarHBondContact O-N 3.4Å; V164-Y180 HydrophobicContact CG2-CD1 4.36Å |
| 181 | R | 95.8 | Very high | 81.5 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 133.5 | 170.1 | -179.3 | 169.7 | 66.1 | -154.4 | -7 | 109.2 | V164 F165 D212 | V164-R181 WeakPolarHBondContact CA-O 3.47Å; V164-R181 HydrophobicContact CG1-CB 4.26Å; V164-R181 HydrophobicContact CG2-CB 4.28Å; F165-R181 PolarHBondContact N-O 2.96Å; R181-D212 IonicContact CZ-OD2 2.68Å; R181-D212 VanDerWaalsContact CZ-OD2 3.29Å; R181-D212 IonicContact NH1-OD2 2.75Å; R181-D212 PolarHBondContact NH1-OD2 3.41Å; R181-D212 IonicContact NH2-OD1 3.76Å; R181-D212 IonicContact NH2-OD2 3.56Å; R181-D212 PolarHBondContact NH2-OD2 3.49Å; R181-D212 VanDerWaalsContact NH2-OD2 3.12Å |
| 182 | S | 95.4 | Very high | 80.2 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.8 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 110.9 | F165 | F165-S182 CarbonylContact O-C 3.48Å; F165-S182 WeakPolarHBondContact O-CA 3.37Å |
| 183 | L | 95.4 | Very high | 79.4 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 76 | 174 | -64.2 | 169.2 | 0 | 0 | 0 | 108.7 | F165 M166 G167 F185 H203 | F165-L183 PolarHBondContact O-N 3.36Å; M166-L183 WeakPolarHBondContact CA-O 3.39Å; M166-L183 HydrophobicContact CB-CB 3.94Å; M166-L183 HydrophobicContact CB-CD1 4.37Å; M166-L183 HydrophobicContact CE-CD1 4.39Å; G167-L183 PolarHBondContact N-O 3.23Å; G167-L183 VanDerWaalsContact N-O 3.07Å; L183-F185 HydrophobicContact CB-CE2 4.37Å; L183-F185 WeakPolarHBondContact O-CD2 3.32Å; L183-F185 VanDerWaalsContact O-CE2 3.29Å; L183-F185 WeakPolarHBondContact O-CE2 3.36Å; L183-H203 HydrophobicContact CD1-CB 3.74Å |
| 184 | P | 92.1 | Very high | 79.6 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 31% | 0.305 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 144.7 | -178.4 | 32.9 | -35.2 | 0 | 0 | 0 | 111.6 | G167 D169 E172 | G167-P184 CarbonylContact O-C 3.54Å; G167-P184 WeakPolarHBondContact O-CA 3.34Å; D169-P184 HydrophobicContact CB-CB 3.94Å; E172-P184 WeakPolarHBondContact OE2-CG 3.47Å |
| 185 | F | 85.9 | Confident | 79.4 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.2 | 175.4 | -61 | -81.5 | 0 | 0 | 0 | 110.4 | G167 D169 L183 S187 V196 I200 | G167-F185 PolarHBondContact O-N 3.06Å; D169-F185 WeakPolarHBondContact CB-O 3.28Å; D169-F185 PolarHBondContact N-O 3.19Å; D169-F185 VanDerWaalsContact N-O 3.11Å; L183-F185 HydrophobicContact CB-CE2 4.37Å; L183-F185 WeakPolarHBondContact O-CD2 3.32Å; L183-F185 VanDerWaalsContact O-CE2 3.29Å; L183-F185 WeakPolarHBondContact O-CE2 3.36Å; F185-S187 PolarHBondContact O-N 2.8Å; F185-V196 HydrophobicContact CB-CB 4.33Å; F185-V196 HydrophobicContact CB-CG1 4.28Å; F185-V196 HydrophobicContact CB-CG2 3.9Å; F185-I200 HydrophobicContact CE2-CG1 4.42Å |
| 186 | P | 69.9 | Low | 79.2 | Confident | 95 Ų | 95 | 73.7 Ų | 73.7 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | trans | -59.9 | 121.4 | -180 | -23.3 | 33.4 | 0 | 0 | 0 | 112.3 | V196 | P186-V196 WeakPolarHBondContact O-CG2 3.5Š| ||
| 187 | S | 66.3 | Low | 79.6 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | trans | -98 | -24.4 | -171 | 57.4 | 0 | 0 | 0 | 0 | 115 | D168 D169 F185 N189 L221 H225 | D168-S187 WeakPolarHBondContact OD1-CB 3.11Å; D168-S187 PolarHBondContact OD1-OG 2.67Å; D168-S187 VanDerWaalsContact OD1-OG 3.08Å; D169-S187 WeakPolarHBondContact OD1-CB 3.3Å; D169-S187 PolarHBondContact OD1-N 3.21Å; D169-S187 PolarHBondContact OD1-OG 3.11Å; F185-S187 PolarHBondContact O-N 2.8Å; S187-N189 VanDerWaalsContact C-N 3.33Å; S187-N189 PolarHBondContact O-N 2.87Å; S187-L221 VanDerWaalsContact CB-CD1 3.47Å; S187-H225 PolarHBondContact O-CE1 2.95Å; S187-H225 PolarHBondContact O-NE2 3.35Å; S187-H225 VanDerWaalsContact O-NE2 3.16Å | ||
| 188 | F | 56.3 | Low | 79.9 | Confident | 129 Ų | 129 | 64 Ų | 64 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | trans | -75.9 | -13.2 | -161.1 | -154.1 | -100.2 | 0 | 0 | 0 | 116 | V190 K1038 | F188-V190 PolarHBondContact O-N 2.83Å; F188-V190 VanDerWaalsContact O-N 3.15Å; F188-K1038 VanDerWaalsContact CE2-NZ 3.28Å | ||
| 189 | N | 57.2 | Low | 80 | Confident | 90 Ų | 90 | 59.9 Ų | 59.9 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | trans | -85.5 | 87.2 | -178.3 | -176.3 | 13.6 | 0 | 0 | 0 | 111.2 | S187 K191 D192 H225 | S187-N189 VanDerWaalsContact C-N 3.33Å; S187-N189 PolarHBondContact O-N 2.87Å; N189-K191 PolarHBondContact O-N 3.01Å; N189-K191 WeakPolarHBondContact OD1-CB 3.34Å; N189-K191 PolarHBondContact OD1-N 3.26Å; N189-D192 HydrophobicContact CB-CB 4.21Å; N189-D192 WeakPolarHBondContact O-CB 3.36Å; N189-D192 PolarHBondContact O-N 2.9Å; N189-H225 PolarHBondContact O-ND1 2.99Å | ||
| 190 | V | 56.4 | Low | 80.1 | Confident | 63 Ų | 63 | 58.7 Ų | 58.7 | 38% | 0.382 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13.8 | 177.1 | -59.9 | 0 | 0 | 0 | 0 | 114.4 | F188 D192 H228 | F188-V190 PolarHBondContact O-N 2.83Å; F188-V190 VanDerWaalsContact O-N 3.15Å; V190-D192 VanDerWaalsContact C-N 3.33Å; V190-H228 HydrophobicContact CB-CB 4.33Å |
| 191 | K | 48.2 | Very low | 80.1 | Confident | 143 Ų | 143 | 53.6 Ų | 53.6 | 62% | 0.622 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -20.5 | 172.9 | -64.4 | -177.4 | 179.2 | 177.8 | 0 | 112.6 | N189 R229 | N189-K191 PolarHBondContact O-N 3.01Å; N189-K191 WeakPolarHBondContact OD1-CB 3.34Å; N189-K191 PolarHBondContact OD1-N 3.26Å; K191-R229 PolarHBondContact O-NH1 3.45Å |
| 192 | D | 63.9 | Low | 80.2 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | trans | -90.7 | 110.6 | 179.1 | -177.7 | -3.9 | 0 | 0 | 0 | 110.1 | N189 V190 H194 T195 H225 | N189-D192 HydrophobicContact CB-CB 4.21Å; N189-D192 WeakPolarHBondContact O-CB 3.36Å; N189-D192 PolarHBondContact O-N 2.9Å; V190-D192 VanDerWaalsContact C-N 3.33Å; D192-H194 PolarHBondContact OD1-N 3.04Å; D192-T195 VanDerWaalsContact CG-OG1 3.27Å; D192-T195 PolarHBondContact OD1-N 3.36Å; D192-T195 PolarHBondContact OD1-OG1 3.47Å; D192-T195 WeakPolarHBondContact OD2-CB 3.4Å; D192-T195 PolarHBondContact OD2-OG1 3.35Å; D192-H225 PolarHBondContact O-ND1 3.48Å | ||
| 193 | L | 70.5 | Confident | 80.2 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -89.6 | -13.1 | 179.9 | -53.9 | -171 | 0 | 0 | 0 | 112.9 | G222 H225 C226 F230 A236 K240 | L193-G222 WeakPolarHBondContact O-CA 3.36Å; L193-H225 VanDerWaalsContact CD2-C 3.43Å; L193-H225 HydrophobicContact CD2-CB 3.52Å; L193-C226 HydrophobicContact CD1-CB 4.24Å; L193-C226 HydrophobicContact CD2-CB 4.19Å; L193-F230 HydrophobicContact CD1-CD2 4.43Å; L193-F230 HydrophobicContact CD1-CE2 4.04Å; L193-A236 HydrophobicContact CD1-CB 4.48Å; L193-K240 WeakPolarHBondContact O-CE 3.43Å; L193-K240 PolarHBondContact O-NZ 2.9Å |
| 194 | H | 82.9 | Confident | 80.3 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -123.6 | -29.5 | -157.9 | -61.5 | -73.9 | 0 | 0 | 0 | 115 | D192 V196 D197 N198 K240 | D192-H194 PolarHBondContact OD1-N 3.04Å; H194-V196 PolarHBondContact O-N 2.87Å; H194-D197 PolarHBondContact O-N 3.12Å; H194-N198 WeakPolarHBondContact O-CB 3.32Å; H194-N198 PolarHBondContact O-N 3.19Å; H194-N198 PolarHBondContact O-ND2 2.92Å; H194-K240 PolarHBondContact ND1-NZ 2.81Å |
| 195 | T | 80.7 | Confident | 80.5 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | -171.4 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | D192 G199 | D192-T195 VanDerWaalsContact CG-OG1 3.27Å; D192-T195 PolarHBondContact OD1-N 3.36Å; D192-T195 PolarHBondContact OD1-OG1 3.47Å; D192-T195 WeakPolarHBondContact OD2-CB 3.4Å; D192-T195 PolarHBondContact OD2-OG1 3.35Å; T195-G199 PolarHBondContact O-N 2.94Å |
| 196 | V | 87.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -51.7 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | F185 P186 H194 N198 G199 I200 L221 | F185-V196 HydrophobicContact CB-CB 4.33Å; F185-V196 HydrophobicContact CB-CG1 4.28Å; F185-V196 HydrophobicContact CB-CG2 3.9Å; P186-V196 WeakPolarHBondContact O-CG2 3.5Å; H194-V196 PolarHBondContact O-N 2.87Å; V196-N198 PolarHBondContact O-N 3.08Å; V196-G199 PolarHBondContact O-N 3.45Å; V196-I200 HydrophobicContact CG1-CD1 4.03Å; V196-I200 WeakPolarHBondContact O-CG1 3.46Å; V196-I200 PolarHBondContact O-N 3.27Å; V196-L221 HydrophobicContact CG1-CD1 4.39Å; V196-L221 HydrophobicContact CG1-CG 4.16Å; V196-L221 HydrophobicContact CG2-CD1 4.14Å |
| 197 | D | 94.8 | Very high | 82.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.4 | -45.9 | -179.9 | -64.8 | 2.9 | 0 | 0 | 0 | 112.2 | H194 I200 L201 F220 L221 G222 K240 | H194-D197 PolarHBondContact O-N 3.12Å; D197-I200 PolarHBondContact O-N 2.69Å; D197-L201 VanDerWaalsContact O-CG 3.27Å; D197-L201 WeakPolarHBondContact O-CG 3.33Å; D197-L201 PolarHBondContact O-N 3.44Å; D197-F220 HydrophobicContact CB-CD1 3.91Å; D197-F220 HydrophobicContact CB-CE1 4.44Å; D197-L221 PolarHBondContact OD1-N 3.2Å; D197-L221 VanDerWaalsContact OD1-N 3.11Å; D197-G222 PolarHBondContact OD1-N 2.9Å; D197-G222 VanDerWaalsContact OD1-N 3.08Å; D197-G222 WeakPolarHBondContact OD2-CA 3.29Å; D197-G222 PolarHBondContact OD2-N 3.21Å; D197-K240 IonicContact OD2-NZ 3.01Å; D197-K240 PolarHBondContact OD2-NZ 2.72Å |
| 198 | N | 94.3 | Very high | 83.5 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 178.8 | -70.8 | -13.7 | 0 | 0 | 0 | 111.6 | H194 V196 I200 L201 Q202 | H194-N198 WeakPolarHBondContact O-CB 3.32Å; H194-N198 PolarHBondContact O-N 3.19Å; H194-N198 PolarHBondContact O-ND2 2.92Å; V196-N198 PolarHBondContact O-N 3.08Å; N198-I200 VanDerWaalsContact C-N 3.34Å; N198-L201 PolarHBondContact O-N 2.83Å; N198-Q202 VanDerWaalsContact O-CG 3.3Å; N198-Q202 WeakPolarHBondContact O-CG 3.24Å; N198-Q202 PolarHBondContact O-N 3.05Å |
| 199 | G | 93.9 | Very high | 85.2 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | T195 V196 Q202 H203 | T195-G199 PolarHBondContact O-N 2.94Å; V196-G199 PolarHBondContact O-N 3.45Å; G199-Q202 PolarHBondContact O-N 3.47Å; G199-H203 PolarHBondContact O-CD2 2.8Å |
| 200 | I | 97.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 173.6 | -65.7 | 163.8 | 0 | 0 | 0 | 110.5 | M166 F185 V196 D197 N198 Q202 H203 L204 A218 H219 F220 | M166-I200 HydrophobicContact CB-CG1 4.4Å; M166-I200 HydrophobicContact CG-CG1 4.25Å; M166-I200 HydrophobicContact CG-CG2 4.01Å; M166-I200 HydrophobicContact SD-CG2 3.81Å; F185-I200 HydrophobicContact CE2-CG1 4.42Å; V196-I200 HydrophobicContact CG1-CD1 4.03Å; V196-I200 WeakPolarHBondContact O-CG1 3.46Å; V196-I200 PolarHBondContact O-N 3.27Å; D197-I200 PolarHBondContact O-N 2.69Å; N198-I200 VanDerWaalsContact C-N 3.34Å; I200-Q202 PolarHBondContact O-N 3.4Å; I200-H203 PolarHBondContact O-N 3.17Å; I200-L204 HydrophobicContact CG2-CB 4.24Å; I200-L204 HydrophobicContact CG2-CD2 4.42Å; I200-L204 WeakPolarHBondContact O-CB 3.5Å; I200-L204 PolarHBondContact O-N 3.42Å; I200-A218 HydrophobicContact CG2-CB 3.96Å; I200-H219 VanDerWaalsContact CD1-C 3.5Å; I200-H219 WeakPolarHBondContact CD1-O 3.38Å; I200-F220 HydrophobicContact CB-CD1 4.5Å; I200-F220 HydrophobicContact CB-CE1 3.92Å; I200-F220 HydrophobicContact CB-CZ 4.07Å; I200-F220 HydrophobicContact CD1-CD1 3.88Å; I200-F220 HydrophobicContact CD1-CD2 4.22Å; I200-F220 HydrophobicContact CD1-CE1 4.11Å; I200-F220 HydrophobicContact CD1-CE2 4.43Å; I200-F220 HydrophobicContact CD1-CG 3.94Å; I200-F220 HydrophobicContact CD1-CZ 4.39Å; I200-F220 HydrophobicContact CG2-CD1 4.5Å; I200-F220 HydrophobicContact CG2-CE1 3.67Å; I200-F220 HydrophobicContact CG2-CE2 3.82Å; I200-F220 HydrophobicContact CG2-CZ 3.29Å |
| 201 | L | 97.2 | Very high | 88.4 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -29.4 | -177.6 | -71.6 | 172.2 | 0 | 0 | 0 | 114.1 | D197 N198 H203 Y205 F220 V247 | D197-L201 VanDerWaalsContact O-CG 3.27Å; D197-L201 WeakPolarHBondContact O-CG 3.33Å; D197-L201 PolarHBondContact O-N 3.44Å; N198-L201 PolarHBondContact O-N 2.83Å; L201-H203 PolarHBondContact O-N 3.4Å; L201-Y205 HydrophobicContact CD2-CE2 4.05Å; L201-F220 HydrophobicContact CD2-CE1 4.49Å; L201-F220 HydrophobicContact CG-CE1 4.35Å; L201-V247 HydrophobicContact CD2-CG2 3.66Å |
| 202 | Q | 96.6 | Very high | 90.5 | Very high | 134 Ų | 134 | 50.2 Ų | 50.2 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.5 | -25 | 174.9 | -74.3 | 170.5 | 21.6 | 0 | 0 | 113 | N198 G199 I200 | N198-Q202 VanDerWaalsContact O-CG 3.3Å; N198-Q202 WeakPolarHBondContact O-CG 3.24Å; N198-Q202 PolarHBondContact O-N 3.05Å; G199-Q202 PolarHBondContact O-N 3.47Å; I200-Q202 PolarHBondContact O-N 3.4Å |
| 203 | H | 96.6 | Very high | 92.1 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -120.6 | -22.1 | -171.2 | -61.2 | -63.7 | 0 | 0 | 0 | 114.6 | M166 L183 G199 I200 L201 T206 T207 | M166-H203 HydrophobicContact CE-CB 4.37Å; L183-H203 HydrophobicContact CD1-CB 3.74Å; G199-H203 PolarHBondContact O-CD2 2.8Å; I200-H203 PolarHBondContact O-N 3.17Å; L201-H203 PolarHBondContact O-N 3.4Å; H203-T206 PolarHBondContact O-OG1 3.32Å; H203-T206 VanDerWaalsContact O-OG1 3.05Å; H203-T207 VanDerWaalsContact O-CB 3.28Å; H203-T207 WeakPolarHBondContact O-CB 3.29Å; H203-T207 PolarHBondContact O-N 2.82Å; H203-T207 PolarHBondContact O-OG1 2.79Å |
| 204 | L | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -57.2 | -172.4 | -179.8 | 63.3 | 0 | 0 | 0 | 112.1 | L67 M166 I200 T206 T207 M208 L216 A218 F220 V247 V251 | L67-L204 HydrophobicContact CD2-CD2 4.44Å; M166-L204 HydrophobicContact SD-CB 3.96Å; M166-L204 HydrophobicContact SD-CD1 3.97Å; I200-L204 HydrophobicContact CG2-CB 4.24Å; I200-L204 HydrophobicContact CG2-CD2 4.42Å; I200-L204 WeakPolarHBondContact O-CB 3.5Å; I200-L204 PolarHBondContact O-N 3.42Å; L204-T206 PolarHBondContact O-N 3.05Å; L204-T207 PolarHBondContact O-N 3.25Å; L204-M208 WeakPolarHBondContact O-CG 3.48Å; L204-M208 PolarHBondContact O-N 2.86Å; L204-L216 HydrophobicContact CD1-CD2 3.76Å; L204-L216 HydrophobicContact CD1-CG 4.4Å; L204-A218 HydrophobicContact CD1-CB 4.11Å; L204-F220 HydrophobicContact CD2-CZ 4.25Å; L204-V247 HydrophobicContact CD2-CG1 3.96Å; L204-V251 HydrophobicContact CD2-CG2 3.99Å |
| 205 | Y | 96.1 | Very high | 94 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.8 | -37.3 | -173.7 | -52.8 | -53.2 | 0 | 0 | 0 | 112.9 | L201 M208 M209 V251 | L201-Y205 HydrophobicContact CD2-CE2 4.05Å; Y205-M208 PolarHBondContact O-N 2.95Å; Y205-M209 WeakPolarHBondContact O-CG 3.45Å; Y205-M209 PolarHBondContact O-N 3.46Å; Y205-V251 HydrophobicContact CE1-CG2 4.36Å |
| 206 | T | 95.2 | Very high | 94.9 | Very high | 98 Ų | 98 | 40.6 Ų | 40.6 | 60% | 0.601 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67.5 | -38 | 177.1 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | H203 L204 M209 | H203-T206 PolarHBondContact O-OG1 3.32Å; H203-T206 VanDerWaalsContact O-OG1 3.05Å; L204-T206 PolarHBondContact O-N 3.05Å; T206-M209 PolarHBondContact O-N 2.91Å |
| 207 | T | 95.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 174.4 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | V164 M166 H203 L204 M209 G210 W213 L216 | V164-T207 HydrophobicContact CG1-CG2 4.14Å; M166-T207 HydrophobicContact CE-CG2 4.49Å; H203-T207 VanDerWaalsContact O-CB 3.28Å; H203-T207 WeakPolarHBondContact O-CB 3.29Å; H203-T207 PolarHBondContact O-N 2.82Å; H203-T207 PolarHBondContact O-OG1 2.79Å; L204-T207 PolarHBondContact O-N 3.25Å; T207-M209 PolarHBondContact O-N 3.3Å; T207-G210 PolarHBondContact O-N 2.87Å; T207-W213 VanDerWaalsContact O-CD1 3.25Å; T207-W213 PolarHBondContact O-NE1 3.48Å; T207-W213 VanDerWaalsContact O-NE1 3.16Å; T207-L216 HydrophobicContact CG2-CD1 3.65Å; T207-L216 HydrophobicContact CG2-CD2 4.46Å |
| 208 | M | 95 | Very high | 95.5 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -32.6 | 180 | -74.5 | -178.3 | 69.9 | 0 | 0 | 113.5 | V65 L204 Y205 G210 W213 L216 V251 R254 L255 | V65-M208 HydrophobicContact CG2-CE 4.4Å; L204-M208 WeakPolarHBondContact O-CG 3.48Å; L204-M208 PolarHBondContact O-N 2.86Å; Y205-M208 PolarHBondContact O-N 2.95Å; M208-G210 VanDerWaalsContact C-N 3.25Å; M208-G210 PolarHBondContact O-N 2.87Å; M208-W213 PolarHBondContact O-NE1 3.44Å; M208-L216 HydrophobicContact CG-CD2 3.57Å; M208-V251 HydrophobicContact CE-CB 4.4Å; M208-V251 HydrophobicContact CE-CG1 3.85Å; M208-V251 HydrophobicContact SD-CB 4.39Å; M208-V251 HydrophobicContact SD-CG1 4.17Å; M208-V251 HydrophobicContact SD-CG2 3.94Å; M208-R254 HydrophobicContact CE-CB 3.83Å; M208-L255 HydrophobicContact CE-CD2 3.97Å |
| 209 | M | 92 | Very high | 95.7 | Very high | 146 Ų | 146 | 37.3 Ų | 37.3 | 72% | 0.719 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.8 | 177.4 | -64.5 | -61.7 | -60.5 | 0 | 0 | 113.3 | Y205 T206 T207 | Y205-M209 WeakPolarHBondContact O-CG 3.45Å; Y205-M209 PolarHBondContact O-N 3.46Å; T206-M209 PolarHBondContact O-N 2.91Å; T207-M209 PolarHBondContact O-N 3.3Å |
| 210 | G | 91.2 | Very high | 95.9 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -86.1 | 163.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T207 M208 W213 | T207-G210 PolarHBondContact O-N 2.87Å; M208-G210 VanDerWaalsContact C-N 3.25Å; M208-G210 PolarHBondContact O-N 2.87Å; G210-W213 VanDerWaalsContact O-CD1 3.3Å; G210-W213 PolarHBondContact O-NE1 2.83Å |
| 211 | D | 89.7 | Confident | 95.7 | Very high | 114 Ų | 114 | 37.4 Ų | 37.4 | 61% | 0.61 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -98.8 | 4.4 | 175.8 | -77.9 | -43.9 | 0 | 0 | 0 | 113.7 | R63 R162 W213 | R63-D211 IonicContact CZ-OD1 2.73Å; R63-D211 IonicContact NH1-OD1 3.69Å; R63-D211 IonicContact NH2-OD1 3.84Å; R63-D211 PolarHBondContact NH2-OD1 3.46Å; R162-D211 PolarHBondContact NH1-O 2.89Å; R162-D211 PolarHBondContact NH2-O 2.72Å; D211-W213 VanDerWaalsContact C-N 3.28Å; D211-W213 PolarHBondContact O-N 2.85Å |
| 212 | D | 92.3 | Very high | 95.4 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -86.9 | 18.4 | -173 | 69.4 | -25.7 | 0 | 0 | 0 | 114.7 | R181 | R181-D212 IonicContact CZ-OD2 2.68Å; R181-D212 VanDerWaalsContact CZ-OD2 3.29Å; R181-D212 IonicContact NH1-OD2 2.75Å; R181-D212 PolarHBondContact NH1-OD2 3.41Å; R181-D212 IonicContact NH2-OD1 3.76Å; R181-D212 IonicContact NH2-OD2 3.56Å; R181-D212 PolarHBondContact NH2-OD2 3.49Å; R181-D212 VanDerWaalsContact NH2-OD2 3.12Å |
| 213 | W | 96.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | trans | -142.2 | 150.4 | -180 | 68.8 | -82.7 | 0 | 0 | 0 | 112.4 | R63 V65 V164 T207 M208 G210 D211 L216 T259 | R63-W213 HydrophobicContact CB-CH2 3.95Å; R63-W213 HydrophobicContact CB-CZ3 3.77Å; R63-W213 HydrophobicContact CG-CH2 4.32Å; R63-W213 HydrophobicContact CG-CZ3 4.17Å; R63-W213 PolarHBondContact NE-O 3.19Å; V65-W213 HydrophobicContact CG2-CH2 3.66Å; V65-W213 HydrophobicContact CG2-CZ3 3.91Å; V164-W213 HydrophobicContact CB-CB 4.43Å; V164-W213 HydrophobicContact CG2-CB 3.75Å; T207-W213 VanDerWaalsContact O-CD1 3.25Å; T207-W213 PolarHBondContact O-NE1 3.48Å; T207-W213 VanDerWaalsContact O-NE1 3.16Å; M208-W213 PolarHBondContact O-NE1 3.44Å; G210-W213 VanDerWaalsContact O-CD1 3.3Å; G210-W213 PolarHBondContact O-NE1 2.83Å; D211-W213 VanDerWaalsContact C-N 3.28Å; D211-W213 PolarHBondContact O-N 2.85Å; W213-L216 HydrophobicContact CD2-CB 4.39Å; W213-L216 HydrophobicContact CE3-CB 3.83Å; W213-L216 HydrophobicContact CZ3-CB 4.06Å; W213-T259 HydrophobicContact CH2-CG2 4.23Å | ||
| 214 | D | 96.9 | Very high | 95 | Very high | 15 Ų | 15 | 26.5 Ų | 26.5 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -120.4 | -30.3 | 169.1 | -52.1 | -58.2 | 0 | 0 | 0 | 110.8 | R63 V64 K161 R162 | R63-D214 WeakPolarHBondContact CA-O 3.49Å; V64-D214 PolarHBondContact N-O 3.13Å; V64-D214 VanDerWaalsContact N-O 3.09Å; K161-D214 HydrophobicContact CB-CB 4.24Å; K161-D214 HydrophobicContact CD-CB 4.15Å; R162-D214 WeakPolarHBondContact CB-OD2 3.48Å; R162-D214 IonicContact CZ-OD1 3.21Å; R162-D214 IonicContact CZ-OD2 3.54Å; R162-D214 PolarHBondContact N-OD2 2.89Å; R162-D214 IonicContact NE-OD1 3.41Å; R162-D214 IonicContact NE-OD2 2.84Å; R162-D214 PolarHBondContact NE-OD2 2.81Å; R162-D214 VanDerWaalsContact NE-OD2 3.09Å; R162-D214 IonicContact NH2-OD1 3.14Å; R162-D214 PolarHBondContact NH2-OD1 2.94Å; R162-D214 IonicContact NH2-OD2 3.36Å; R162-D214 PolarHBondContact O-N 2.89Å |
| 215 | V | 97.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | V64 L156 R162 V163 V164 L217 | V64-V215 HydrophobicContact CG1-CB 4.16Å; V64-V215 HydrophobicContact CG1-CG1 3.81Å; V64-V215 HydrophobicContact CG1-CG2 3.86Å; V64-V215 WeakPolarHBondContact O-CA 3.33Å; L156-V215 HydrophobicContact CD1-CB 4.32Å; L156-V215 HydrophobicContact CD1-CG1 4.16Å; L156-V215 HydrophobicContact CD1-CG2 3.78Å; L156-V215 HydrophobicContact CD2-CG2 3.78Å; L156-V215 HydrophobicContact CG-CG2 4.38Å; R162-V215 PolarHBondContact O-N 3.07Å; R162-V215 VanDerWaalsContact O-N 3.1Å; V163-V215 WeakPolarHBondContact CA-O 3.37Å; V163-V215 HydrophobicContact CB-CB 4.46Å; V163-V215 HydrophobicContact CG1-CB 4.2Å; V163-V215 HydrophobicContact CG1-CG1 4.11Å; V163-V215 HydrophobicContact CG2-CB 4.22Å; V164-V215 PolarHBondContact N-O 2.83Å; V215-L217 HydrophobicContact CG1-CD2 3.91Å; V215-L217 HydrophobicContact CG1-CG 4.17Å |
| 216 | L | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.1 | 177.4 | -171.9 | 63.4 | 0 | 0 | 0 | 109.8 | V64 V65 V66 V164 M166 L204 T207 M208 W213 | V64-L216 PolarHBondContact O-N 3.31Å; V65-L216 HydrophobicContact CG1-CD2 4.34Å; V65-L216 HydrophobicContact CG2-CB 4.27Å; V65-L216 HydrophobicContact CG2-CD2 4.35Å; V66-L216 PolarHBondContact N-O 2.92Å; V164-L216 HydrophobicContact CB-CD1 3.86Å; V164-L216 HydrophobicContact CG1-CD1 3.86Å; V164-L216 WeakPolarHBondContact O-CA 3.32Å; M166-L216 HydrophobicContact CE-CD1 3.72Å; L204-L216 HydrophobicContact CD1-CD2 3.76Å; L204-L216 HydrophobicContact CD1-CG 4.4Å; T207-L216 HydrophobicContact CG2-CD1 3.65Å; T207-L216 HydrophobicContact CG2-CD2 4.46Å; M208-L216 HydrophobicContact CG-CD2 3.57Å; W213-L216 HydrophobicContact CD2-CB 4.39Å; W213-L216 HydrophobicContact CE3-CB 3.83Å; W213-L216 HydrophobicContact CZ3-CB 4.06Å |
| 217 | L | 98.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.6 | 178.6 | -56.5 | 179.4 | 0 | 0 | 0 | 109.3 | V66 I153 V163 V164 F165 M166 W171 F179 V215 | V66-L217 HydrophobicContact CB-CD2 3.59Å; V66-L217 HydrophobicContact CG1-CD2 4.36Å; V66-L217 HydrophobicContact CG2-CD2 3.64Å; I153-L217 HydrophobicContact CD1-CD1 3.65Å; V163-L217 HydrophobicContact CG1-CD1 3.99Å; V163-L217 HydrophobicContact CG1-CG 4.32Å; V164-L217 PolarHBondContact O-N 2.99Å; F165-L217 CarbonylContact C-O 3.58Å; F165-L217 WeakPolarHBondContact CA-O 3.39Å; F165-L217 HydrophobicContact CD2-CB 4.06Å; M166-L217 PolarHBondContact N-O 3.41Å; W171-L217 HydrophobicContact CH2-CD1 4.22Å; W171-L217 HydrophobicContact CZ3-CD1 3.97Å; F179-L217 HydrophobicContact CE1-CD1 4.1Å; V215-L217 HydrophobicContact CG1-CD2 3.91Å; V215-L217 HydrophobicContact CG1-CG 4.17Å |
| 218 | A | 98.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 116.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V66 L67 I68 M166 I200 L204 F220 | V66-A218 PolarHBondContact O-N 3.28Å; L67-A218 HydrophobicContact CD2-CB 3.89Å; I68-A218 PolarHBondContact N-O 2.88Å; M166-A218 HydrophobicContact CG-CB 3.91Å; M166-A218 VanDerWaalsContact O-CA 3.32Å; M166-A218 WeakPolarHBondContact O-CA 3.47Å; M166-A218 HydrophobicContact SD-CB 4.4Å; I200-A218 HydrophobicContact CG2-CB 3.96Å; L204-A218 HydrophobicContact CD1-CB 4.11Å; A218-F220 HydrophobicContact CB-CE2 3.99Å |
| 219 | H | 97.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 100.5 | -175.8 | -172.1 | -153.5 | 0 | 0 | 0 | 112.4 | I68 D70 F165 M166 G167 D168 W171 I200 | I68-H219 HydrophobicContact CB-CB 4.35Å; I68-H219 WeakPolarHBondContact CG2-CD2 3.41Å; I68-H219 CarbonylContact O-C 3.55Å; I68-H219 WeakPolarHBondContact O-CA 3.35Å; D70-H219 IonicContact OD2-CE1 3.57Å; D70-H219 IonicContact OD2-NE2 3.76Å; F165-H219 HydrophobicContact CE2-CB 4.35Å; M166-H219 PolarHBondContact O-N 2.76Å; G167-H219 WeakPolarHBondContact CA-O 3.36Å; D168-H219 VanDerWaalsContact CB-ND1 3.31Å; D168-H219 WeakPolarHBondContact CB-ND1 3.45Å; D168-H219 IonicContact OD2-CE1 3.89Å; D168-H219 IonicContact OD2-ND1 3.71Å; W171-H219 AromaticContact CD1-ND1 3.83Å; W171-H219 AromaticContact NE1-CG 3.79Å; W171-H219 AromaticContact NE1-ND1 3.26Å; W171-H219 PolarHBondContact NE1-ND1 3.37Å; I200-H219 VanDerWaalsContact CD1-C 3.5Å; I200-H219 WeakPolarHBondContact CD1-O 3.38Å |
| 220 | F | 97.9 | Very high | 88 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.009 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 137.2 | -179.9 | -66 | -94.7 | 0 | 0 | 0 | 111.3 | L67 I68 D70 D197 I200 L201 L204 A218 M244 V247 | L67-F220 HydrophobicContact CD2-CE2 4.42Å; I68-F220 PolarHBondContact O-N 3.05Å; D70-F220 VanDerWaalsContact CB-O 3.27Å; D70-F220 WeakPolarHBondContact CB-O 3.38Å; D70-F220 PolarHBondContact N-O 3.44Å; D197-F220 HydrophobicContact CB-CD1 3.91Å; D197-F220 HydrophobicContact CB-CE1 4.44Å; I200-F220 HydrophobicContact CB-CD1 4.5Å; I200-F220 HydrophobicContact CB-CE1 3.92Å; I200-F220 HydrophobicContact CB-CZ 4.07Å; I200-F220 HydrophobicContact CD1-CD1 3.88Å; I200-F220 HydrophobicContact CD1-CD2 4.22Å; I200-F220 HydrophobicContact CD1-CE1 4.11Å; I200-F220 HydrophobicContact CD1-CE2 4.43Å; I200-F220 HydrophobicContact CD1-CG 3.94Å; I200-F220 HydrophobicContact CD1-CZ 4.39Å; I200-F220 HydrophobicContact CG2-CD1 4.5Å; I200-F220 HydrophobicContact CG2-CE1 3.67Å; I200-F220 HydrophobicContact CG2-CE2 3.82Å; I200-F220 HydrophobicContact CG2-CZ 3.29Å; L201-F220 HydrophobicContact CD2-CE1 4.49Å; L201-F220 HydrophobicContact CG-CE1 4.35Å; L204-F220 HydrophobicContact CD2-CZ 4.25Å; A218-F220 HydrophobicContact CB-CE2 3.99Å; F220-M244 HydrophobicContact CB-SD 4.1Å; F220-M244 HydrophobicContact CD1-CE 3.77Å; F220-M244 HydrophobicContact CD1-SD 3.95Å; F220-M244 HydrophobicContact CD2-SD 4.34Å; F220-M244 HydrophobicContact CE1-CE 4.07Å; F220-M244 HydrophobicContact CE1-SD 4.45Å; F220-M244 HydrophobicContact CG-CE 4.32Å; F220-M244 HydrophobicContact CG-SD 3.88Å; F220-V247 HydrophobicContact CE2-CG1 4.37Å; F220-V247 HydrophobicContact CZ-CG1 3.96Å |
| 221 | L | 93.6 | Very high | 87 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | trans | -112.6 | -11.5 | -177.2 | -62 | -173.4 | 0 | 0 | 0 | 113.7 | D70 D168 S187 V196 D197 V223 D224 H225 | D70-L221 HydrophobicContact CB-CD2 3.71Å; D70-L221 VanDerWaalsContact OD2-CD2 3.29Å; D70-L221 WeakPolarHBondContact OD2-CD2 3.34Å; D168-L221 HydrophobicContact CB-CD1 4.15Å; D168-L221 HydrophobicContact CB-CD2 4.25Å; D168-L221 HydrophobicContact CB-CG 4.43Å; S187-L221 VanDerWaalsContact CB-CD1 3.47Å; V196-L221 HydrophobicContact CG1-CD1 4.39Å; V196-L221 HydrophobicContact CG1-CG 4.16Å; V196-L221 HydrophobicContact CG2-CD1 4.14Å; D197-L221 PolarHBondContact OD1-N 3.2Å; D197-L221 VanDerWaalsContact OD1-N 3.11Å; L221-V223 PolarHBondContact O-N 3.01Å; L221-V223 VanDerWaalsContact O-N 3.14Å; L221-D224 PolarHBondContact O-N 3.33Å; L221-H225 PolarHBondContact O-N 3.13Å | ||
| 222 | G | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.5 | -28.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | L193 D197 C226 | L193-G222 WeakPolarHBondContact O-CA 3.36Å; D197-G222 PolarHBondContact OD1-N 2.9Å; D197-G222 VanDerWaalsContact OD1-N 3.08Å; D197-G222 WeakPolarHBondContact OD2-CA 3.29Å; D197-G222 PolarHBondContact OD2-N 3.21Å; G222-C226 VanDerWaalsContact O-CB 3.25Å; G222-C226 WeakPolarHBondContact O-CB 3.34Å; G222-C226 PolarHBondContact O-N 2.83Å; G222-C226 VanDerWaalsContact O-N 3.13Å |
| 223 | V | 96.5 | Very high | 85.5 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71 | -52.9 | 176.5 | 171 | 0 | 0 | 0 | 0 | 110.7 | I69 D70 F76 L221 H225 C226 G227 M237 K240 L241 M244 M269 | I69-V223 HydrophobicContact CG2-CB 4.02Å; I69-V223 HydrophobicContact CG2-CG2 3.68Å; D70-V223 WeakPolarHBondContact O-CB 3.36Å; F76-V223 HydrophobicContact CD2-CG1 4.28Å; F76-V223 HydrophobicContact CE2-CG1 4.1Å; L221-V223 PolarHBondContact O-N 3.01Å; L221-V223 VanDerWaalsContact O-N 3.14Å; V223-H225 PolarHBondContact O-N 3.39Å; V223-C226 WeakPolarHBondContact O-CB 3.36Å; V223-C226 PolarHBondContact O-N 3.42Å; V223-G227 PolarHBondContact O-N 2.87Å; V223-M237 HydrophobicContact CG1-CE 4.27Å; V223-M237 HydrophobicContact CG1-SD 3.92Å; V223-M237 WeakPolarHBondContact O-CE 3.49Å; V223-K240 HydrophobicContact CG2-CB 4.2Å; V223-L241 HydrophobicContact CG1-CD2 4.46Å; V223-L241 HydrophobicContact CG2-CD2 4.11Å; V223-M244 HydrophobicContact CG2-CG 4.27Å; V223-M269 HydrophobicContact CG1-CE 4.43Å |
| 224 | D | 88.9 | Confident | 84.7 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.5 | -49.8 | 176 | -179.1 | 63.6 | 0 | 0 | 0 | 112.4 | D70 A71 L221 C226 G227 H228 H267 H275 | D70-D224 HydrophobicContact CB-CB 3.84Å; D70-D224 PolarHBondContact O-N 3Å; D70-D224 WeakPolarHBondContact OD1-CB 3.24Å; A71-D224 HydrophobicContact CB-CB 3.66Å; A71-D224 WeakPolarHBondContact CB-OD1 3.41Å; L221-D224 PolarHBondContact O-N 3.33Å; D224-C226 PolarHBondContact O-N 3.23Å; D224-G227 VanDerWaalsContact O-CA 3.31Å; D224-G227 WeakPolarHBondContact O-CA 3.31Å; D224-G227 PolarHBondContact O-N 2.76Å; D224-H228 PolarHBondContact O-CD2 3.47Å; D224-H228 VanDerWaalsContact O-CD2 3.32Å; D224-H228 PolarHBondContact O-N 2.93Å; D224-H228 IonicContact OD1-CD2 2.95Å; D224-H228 IonicContact OD1-NE2 2.64Å; D224-H228 PolarHBondContact OD1-NE2 2.94Å; D224-H228 IonicContact OD2-CD2 3.27Å; D224-H228 PolarHBondContact OD2-CD2 3.05Å; D224-H228 IonicContact OD2-NE2 2.79Å; D224-H228 PolarHBondContact OD2-NE2 2.98Å; D224-H267 IonicContact OD1-CE1 3.62Å; D224-H275 IonicContact OD1-CD2 2.81Å; D224-H275 IonicContact OD1-NE2 3.94Å; D224-H275 PolarHBondContact OD1-NE2 2.94Å |
| 225 | H | 81.2 | Confident | 83.9 | Confident | 11 Ų | 11 | 26.2 Ų | 26.2 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.8 | -35.1 | 178.5 | -71 | -167 | 0 | 0 | 0 | 112.3 | S187 N189 D192 L193 L221 V223 R229 | S187-H225 PolarHBondContact O-CE1 2.95Å; S187-H225 PolarHBondContact O-NE2 3.35Å; S187-H225 VanDerWaalsContact O-NE2 3.16Å; N189-H225 PolarHBondContact O-ND1 2.99Å; D192-H225 PolarHBondContact O-ND1 3.48Å; L193-H225 VanDerWaalsContact CD2-C 3.43Å; L193-H225 HydrophobicContact CD2-CB 3.52Å; L221-H225 PolarHBondContact O-N 3.13Å; V223-H225 PolarHBondContact O-N 3.39Å; H225-R229 VanDerWaalsContact O-CB 3.25Å; H225-R229 WeakPolarHBondContact O-CB 2.91Å; H225-R229 PolarHBondContact O-N 3.42Å |
| 226 | C | 80.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 174.2 | -174 | 0 | 0 | 0 | 0 | 111.3 | L193 G222 V223 D224 R229 F230 G231 M237 | L193-C226 HydrophobicContact CD1-CB 4.24Å; L193-C226 HydrophobicContact CD2-CB 4.19Å; G222-C226 VanDerWaalsContact O-CB 3.25Å; G222-C226 WeakPolarHBondContact O-CB 3.34Å; G222-C226 PolarHBondContact O-N 2.83Å; G222-C226 VanDerWaalsContact O-N 3.13Å; V223-C226 WeakPolarHBondContact O-CB 3.36Å; V223-C226 PolarHBondContact O-N 3.42Å; D224-C226 PolarHBondContact O-N 3.23Å; C226-R229 PolarHBondContact O-N 2.99Å; C226-F230 PolarHBondContact O-N 2.87Å; C226-G231 PolarHBondContact O-N 2.95Å; C226-M237 HydrophobicContact CB-CE 4Å; C226-M237 HydrophobicContact CB-SD 4.48Å; C226-M237 PolarHBondContact SG-N 3.2Å |
| 227 | G | 74.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.2 | -60.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V223 D224 R229 G231 G273 | V223-G227 PolarHBondContact O-N 2.87Å; D224-G227 VanDerWaalsContact O-CA 3.31Å; D224-G227 WeakPolarHBondContact O-CA 3.31Å; D224-G227 PolarHBondContact O-N 2.76Å; G227-R229 VanDerWaalsContact C-N 3.29Å; G227-R229 PolarHBondContact O-N 3.29Å; G227-G231 WeakPolarHBondContact O-CA 3.38Å; G227-G231 PolarHBondContact O-N 3.12Å; G227-G273 WeakPolarHBondContact O-CA 3.5Å |
| 228 | H | 61.1 | Low | 82.3 | Confident | 51 Ų | 51 | 27.2 Ų | 27.2 | 24% | 0.236 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 180 | -73.6 | -67.5 | 0 | 0 | 0 | 113.8 | V190 D224 G273 H275 | V190-H228 HydrophobicContact CB-CB 4.33Å; D224-H228 PolarHBondContact O-CD2 3.47Å; D224-H228 VanDerWaalsContact O-CD2 3.32Å; D224-H228 PolarHBondContact O-N 2.93Å; D224-H228 IonicContact OD1-CD2 2.95Å; D224-H228 IonicContact OD1-NE2 2.64Å; D224-H228 PolarHBondContact OD1-NE2 2.94Å; D224-H228 IonicContact OD2-CD2 3.27Å; D224-H228 PolarHBondContact OD2-CD2 3.05Å; D224-H228 IonicContact OD2-NE2 2.79Å; D224-H228 PolarHBondContact OD2-NE2 2.98Å; H228-G273 PolarHBondContact ND1-O 3.39Å; H228-H275 AromaticContact CE1-CD2 3.25Å; H228-H275 PolarHBondContact CE1-CD2 3.25Å; H228-H275 AromaticContact CE1-NE2 3.17Å; H228-H275 PolarHBondContact CE1-NE2 3.31Å; H228-H275 AromaticContact NE2-CD2 3.22Å; H228-H275 PolarHBondContact NE2-CD2 3.09Å; H228-H275 AromaticContact NE2-NE2 2.84Å; H228-H275 PolarHBondContact NE2-NE2 3.19Å |
| 229 | R | 61.5 | Low | 82.1 | Confident | 126 Ų | 126 | 32.7 Ų | 32.7 | 48% | 0.475 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -79.1 | -41.8 | -172.7 | -177.4 | 173.4 | 177.2 | 157.9 | -1.1 | 113.2 | K191 H225 C226 G227 | K191-R229 PolarHBondContact O-NH1 3.45Å; H225-R229 VanDerWaalsContact O-CB 3.25Å; H225-R229 WeakPolarHBondContact O-CB 2.91Å; H225-R229 PolarHBondContact O-N 3.42Å; C226-R229 PolarHBondContact O-N 2.99Å; G227-R229 VanDerWaalsContact C-N 3.29Å; G227-R229 PolarHBondContact O-N 3.29Å |
| 230 | F | 64 | Low | 82 | Confident | 85 Ų | 85 | 32.9 Ų | 32.9 | 37% | 0.373 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -126.3 | -14.3 | -168 | -63 | -62.3 | 0 | 0 | 0 | 113.9 | L193 C226 H234 A236 | L193-F230 HydrophobicContact CD1-CD2 4.43Å; L193-F230 HydrophobicContact CD1-CE2 4.04Å; C226-F230 PolarHBondContact O-N 2.87Å; F230-H234 HydrophobicContact CB-CB 3.79Å; F230-H234 AromaticContact CD1-CE1 3.96Å; F230-H234 AromaticContact CD1-NE2 3.92Å; F230-H234 AromaticContact CG-CE1 3.92Å; F230-H234 AromaticContact CG-ND1 3.81Å; F230-A236 HydrophobicContact CD2-CB 4.09Å; F230-A236 HydrophobicContact CE2-CB 4.21Å |
| 231 | G | 69.9 | Low | 82 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | trans | 79.3 | 164.2 | -164 | 0 | 0 | 0 | 0 | 0 | 112.5 | C226 G227 D233 | C226-G231 PolarHBondContact O-N 2.95Å; G227-G231 WeakPolarHBondContact O-CA 3.38Å; G227-G231 PolarHBondContact O-N 3.12Å; G231-D233 VanDerWaalsContact C-N 3.34Å; G231-D233 PolarHBondContact O-N 3.37Å | ||
| 232 | P | 73.6 | Confident | 82.2 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -68.7 | -28.4 | 179.7 | 27.1 | -35 | 0 | 0 | 0 | 113.7 | F76 Y89 H234 M237 M269 D271 | F76-P232 HydrophobicContact CE1-CB 4.01Å; F76-P232 HydrophobicContact CZ-CB 3.77Å; Y89-P232 HydrophobicContact CD1-CB 4.2Å; Y89-P232 WeakPolarHBondContact CD1-O 3.37Å; P232-H234 PolarHBondContact O-N 3.42Å; P232-M237 HydrophobicContact CB-CE 4.38Å; P232-M237 WeakPolarHBondContact O-CB 3.4Å; P232-M237 WeakPolarHBondContact O-CG 3.38Å; P232-M269 HydrophobicContact CB-SD 4.01Å; P232-M269 HydrophobicContact CG-SD 4.31Å; P232-D271 WeakPolarHBondContact CD-O 3.34Å |
| 233 | D | 77.2 | Confident | 82.5 | Confident | 92 Ų | 92 | 38.5 Ų | 38.5 | 49% | 0.492 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -85.9 | 57 | -179.4 | -160.8 | -4 | 0 | 0 | 0 | 111.8 | P88 Y89 G231 | P88-D233 WeakPolarHBondContact CD-OD1 3.42Å; P88-D233 WeakPolarHBondContact CG-OD1 3.31Å; Y89-D233 HydrophobicContact CE1-CB 4.31Å; G231-D233 VanDerWaalsContact C-N 3.34Å; G231-D233 PolarHBondContact O-N 3.37Å |
| 234 | H | 80.4 | Confident | 82.6 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -139.8 | 143.9 | -177.7 | -171 | -93.1 | 0 | 0 | 0 | 111.6 | P88 F230 P232 A236 M237 A238 | P88-H234 VanDerWaalsContact CB-O 3.29Å; P88-H234 WeakPolarHBondContact CB-O 3.39Å; F230-H234 HydrophobicContact CB-CB 3.79Å; F230-H234 AromaticContact CD1-CE1 3.96Å; F230-H234 AromaticContact CD1-NE2 3.92Å; F230-H234 AromaticContact CG-CE1 3.92Å; F230-H234 AromaticContact CG-ND1 3.81Å; P232-H234 PolarHBondContact O-N 3.42Å; H234-A236 VanDerWaalsContact ND1-CB 3.29Å; H234-A236 WeakPolarHBondContact ND1-CB 3.48Å; H234-A236 PolarHBondContact ND1-N 2.87Å; H234-A236 VanDerWaalsContact ND1-N 3.11Å; H234-A236 PolarHBondContact O-N 2.93Å; H234-A236 VanDerWaalsContact O-N 3.15Å; H234-M237 VanDerWaalsContact O-CB 3.27Å; H234-M237 WeakPolarHBondContact O-CB 3.24Å; H234-M237 PolarHBondContact O-N 2.98Å; H234-A238 PolarHBondContact O-N 3.14Å |
| 235 | P | 80.2 | Confident | 83.1 | Confident | 82 Ų | 82 | 39.1 Ų | 39.1 | 53% | 0.532 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -54.2 | -35.1 | 179.2 | -28.8 | 35.9 | 0 | 0 | 0 | 114.5 | M237 A238 D239 | P235-M237 PolarHBondContact O-N 2.93Å; P235-A238 WeakPolarHBondContact O-CA 3.18Å; P235-A238 WeakPolarHBondContact O-CB 3.33Å; P235-A238 PolarHBondContact O-N 3.48Å; P235-D239 PolarHBondContact O-N 3.39Å |
| 236 | A | 75.9 | Confident | 83.9 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -30.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L193 F230 H234 D239 K240 | L193-A236 HydrophobicContact CD1-CB 4.48Å; F230-A236 HydrophobicContact CD2-CB 4.09Å; F230-A236 HydrophobicContact CE2-CB 4.21Å; H234-A236 VanDerWaalsContact ND1-CB 3.29Å; H234-A236 WeakPolarHBondContact ND1-CB 3.48Å; H234-A236 PolarHBondContact ND1-N 2.87Å; H234-A236 VanDerWaalsContact ND1-N 3.11Å; H234-A236 PolarHBondContact O-N 2.93Å; H234-A236 VanDerWaalsContact O-N 3.15Å; A236-D239 PolarHBondContact O-N 3.24Å; A236-K240 WeakPolarHBondContact O-CG 3.42Å; A236-K240 PolarHBondContact O-N 2.85Å; A236-K240 VanDerWaalsContact O-N 3.07Å |
| 237 | M | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -39.7 | 173.1 | -177.4 | 59.9 | 78.6 | 0 | 0 | 110.3 | F76 V223 C226 P232 H234 P235 D239 K240 L241 M269 | F76-M237 HydrophobicContact CE2-CE 4.38Å; F76-M237 HydrophobicContact CE2-SD 4.38Å; F76-M237 HydrophobicContact CZ-CE 4.44Å; V223-M237 HydrophobicContact CG1-CE 4.27Å; V223-M237 HydrophobicContact CG1-SD 3.92Å; V223-M237 WeakPolarHBondContact O-CE 3.49Å; C226-M237 HydrophobicContact CB-CE 4Å; C226-M237 HydrophobicContact CB-SD 4.48Å; C226-M237 PolarHBondContact SG-N 3.2Å; P232-M237 HydrophobicContact CB-CE 4.38Å; P232-M237 WeakPolarHBondContact O-CB 3.4Å; P232-M237 WeakPolarHBondContact O-CG 3.38Å; H234-M237 VanDerWaalsContact O-CB 3.27Å; H234-M237 WeakPolarHBondContact O-CB 3.24Å; H234-M237 PolarHBondContact O-N 2.98Å; P235-M237 PolarHBondContact O-N 2.93Å; M237-D239 VanDerWaalsContact C-N 3.32Å; M237-D239 PolarHBondContact O-N 3.46Å; M237-K240 PolarHBondContact O-N 3Å; M237-L241 HydrophobicContact CG-CD1 3.95Å; M237-L241 HydrophobicContact CG-CG 4.37Å; M237-L241 WeakPolarHBondContact O-CG 3.36Å; M237-L241 PolarHBondContact O-N 2.7Å; M237-L241 HydrophobicContact SD-CD1 4.24Å; M237-L241 HydrophobicContact SD-CG 4.15Å; M237-M269 HydrophobicContact CE-CE 4.14Å; M237-M269 HydrophobicContact CE-SD 4.2Å |
| 238 | A | 93.3 | Very high | 85.9 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P88 K92 H234 P235 K240 T242 | P88-A238 HydrophobicContact CB-CB 4.23Å; P88-A238 VanDerWaalsContact O-CA 3.28Å; P88-A238 WeakPolarHBondContact O-CA 3.45Å; P88-A238 WeakPolarHBondContact O-CB 3.36Å; K92-A238 HydrophobicContact CD-CB 4.39Å; K92-A238 HydrophobicContact CG-CB 4.49Å; H234-A238 PolarHBondContact O-N 3.14Å; P235-A238 WeakPolarHBondContact O-CA 3.18Å; P235-A238 WeakPolarHBondContact O-CB 3.33Å; P235-A238 PolarHBondContact O-N 3.48Å; A238-K240 VanDerWaalsContact C-N 3.32Å; A238-K240 PolarHBondContact O-N 2.8Å; A238-T242 VanDerWaalsContact O-CB 3.3Å; A238-T242 WeakPolarHBondContact O-CB 3.3Å; A238-T242 PolarHBondContact O-N 3.43Å; A238-T242 PolarHBondContact O-OG1 3.39Å |
| 239 | D | 93.6 | Very high | 87.7 | Confident | 114 Ų | 114 | 42.2 Ų | 42.2 | 61% | 0.61 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.9 | -41.6 | 178.1 | -63.4 | -25.5 | 0 | 0 | 0 | 111.2 | P235 A236 M237 T242 Q243 | P235-D239 PolarHBondContact O-N 3.39Å; A236-D239 PolarHBondContact O-N 3.24Å; M237-D239 VanDerWaalsContact C-N 3.32Å; M237-D239 PolarHBondContact O-N 3.46Å; D239-T242 PolarHBondContact O-N 3.11Å; D239-Q243 WeakPolarHBondContact O-CB 3.31Å; D239-Q243 PolarHBondContact O-N 3.13Å |
| 240 | K | 95.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -44.7 | 178.4 | -75.7 | -55.1 | -165.3 | 167.5 | 0 | 113.9 | L193 H194 D197 V223 A236 M237 A238 T242 Q243 M244 | L193-K240 WeakPolarHBondContact O-CE 3.43Å; L193-K240 PolarHBondContact O-NZ 2.9Å; H194-K240 PolarHBondContact ND1-NZ 2.81Å; D197-K240 IonicContact OD2-NZ 3.01Å; D197-K240 PolarHBondContact OD2-NZ 2.72Å; V223-K240 HydrophobicContact CG2-CB 4.2Å; A236-K240 WeakPolarHBondContact O-CG 3.42Å; A236-K240 PolarHBondContact O-N 2.85Å; A236-K240 VanDerWaalsContact O-N 3.07Å; M237-K240 PolarHBondContact O-N 3Å; A238-K240 VanDerWaalsContact C-N 3.32Å; A238-K240 PolarHBondContact O-N 2.8Å; K240-T242 VanDerWaalsContact C-N 3.32Å; K240-T242 PolarHBondContact O-N 3.47Å; K240-Q243 WeakPolarHBondContact O-CB 3.46Å; K240-Q243 PolarHBondContact O-N 3.48Å; K240-M244 WeakPolarHBondContact O-CG 3.15Å; K240-M244 PolarHBondContact O-N 2.64Å |
| 241 | L | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 175.4 | -67.1 | 170.7 | 0 | 0 | 0 | 111.4 | L72 F76 Y89 K92 L93 V223 M237 Q243 M244 D245 | L72-L241 HydrophobicContact CD1-CD2 4.14Å; F76-L241 HydrophobicContact CB-CD1 4.05Å; F76-L241 HydrophobicContact CB-CD2 3.95Å; F76-L241 HydrophobicContact CD1-CD1 4.49Å; F76-L241 HydrophobicContact CD2-CD1 4.39Å; F76-L241 HydrophobicContact CD2-CD2 4.04Å; F76-L241 HydrophobicContact CG-CD1 4.08Å; F76-L241 HydrophobicContact CG-CD2 4.26Å; Y89-L241 WeakPolarHBondContact O-CD1 3.25Å; K92-L241 HydrophobicContact CB-CB 3.48Å; K92-L241 VanDerWaalsContact CB-CB 3.48Å; K92-L241 HydrophobicContact CB-CD1 4.19Å; K92-L241 HydrophobicContact CG-CB 4.3Å; K92-L241 HydrophobicContact CG-CD1 4.47Å; L93-L241 HydrophobicContact CD1-CD2 4.14Å; L93-L241 VanDerWaalsContact CD2-O 3.28Å; L93-L241 WeakPolarHBondContact CD2-O 3.46Å; V223-L241 HydrophobicContact CG1-CD2 4.46Å; V223-L241 HydrophobicContact CG2-CD2 4.11Å; M237-L241 HydrophobicContact CG-CD1 3.95Å; M237-L241 HydrophobicContact CG-CG 4.37Å; M237-L241 WeakPolarHBondContact O-CG 3.36Å; M237-L241 PolarHBondContact O-N 2.7Å; M237-L241 HydrophobicContact SD-CD1 4.24Å; M237-L241 HydrophobicContact SD-CG 4.15Å; L241-Q243 VanDerWaalsContact C-N 3.35Å; L241-Q243 PolarHBondContact O-N 2.8Å; L241-M244 PolarHBondContact O-N 2.95Å; L241-M244 VanDerWaalsContact O-N 3.15Å; L241-D245 PolarHBondContact O-N 2.71Å |
| 242 | T | 98 | Very high | 92.3 | Very high | 75 Ų | 75 | 34.2 Ų | 34.2 | 46% | 0.46 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 174.7 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | A238 D239 K240 M244 D245 G246 | A238-T242 VanDerWaalsContact O-CB 3.3Å; A238-T242 WeakPolarHBondContact O-CB 3.3Å; A238-T242 PolarHBondContact O-N 3.43Å; A238-T242 PolarHBondContact O-OG1 3.39Å; D239-T242 PolarHBondContact O-N 3.11Å; K240-T242 VanDerWaalsContact C-N 3.32Å; K240-T242 PolarHBondContact O-N 3.47Å; T242-M244 VanDerWaalsContact C-N 3.32Å; T242-M244 PolarHBondContact O-N 2.94Å; T242-D245 PolarHBondContact O-N 3.24Å; T242-G246 PolarHBondContact O-N 3.46Å |
| 243 | Q | 98.1 | Very high | 93.4 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 23% | 0.234 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -47.7 | 171.1 | -173.2 | -178.6 | 21.9 | 0 | 0 | 110.1 | D239 K240 L241 G246 V247 | D239-Q243 WeakPolarHBondContact O-CB 3.31Å; D239-Q243 PolarHBondContact O-N 3.13Å; K240-Q243 WeakPolarHBondContact O-CB 3.46Å; K240-Q243 PolarHBondContact O-N 3.48Å; L241-Q243 VanDerWaalsContact C-N 3.35Å; L241-Q243 PolarHBondContact O-N 2.8Å; Q243-G246 PolarHBondContact O-N 2.65Å; Q243-V247 WeakPolarHBondContact O-CG2 3.28Å; Q243-V247 PolarHBondContact O-N 2.85Å |
| 244 | M | 98.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 179.6 | -65.5 | -56 | 98 | 0 | 0 | 113.1 | I69 L93 F220 V223 K240 L241 T242 G246 V247 I248 | I69-M244 HydrophobicContact CD1-CB 3.86Å; I69-M244 HydrophobicContact CD1-CG 3.88Å; I69-M244 HydrophobicContact CD1-SD 3.98Å; I69-M244 HydrophobicContact CG1-CG 4.28Å; I69-M244 HydrophobicContact CG1-SD 3.93Å; I69-M244 HydrophobicContact CG2-CG 4.06Å; I69-M244 HydrophobicContact CG2-SD 4.34Å; L93-M244 HydrophobicContact CD2-CB 4.05Å; F220-M244 HydrophobicContact CB-SD 4.1Å; F220-M244 HydrophobicContact CD1-CE 3.77Å; F220-M244 HydrophobicContact CD1-SD 3.95Å; F220-M244 HydrophobicContact CD2-SD 4.34Å; F220-M244 HydrophobicContact CE1-CE 4.07Å; F220-M244 HydrophobicContact CE1-SD 4.45Å; F220-M244 HydrophobicContact CG-CE 4.32Å; F220-M244 HydrophobicContact CG-SD 3.88Å; V223-M244 HydrophobicContact CG2-CG 4.27Å; K240-M244 WeakPolarHBondContact O-CG 3.15Å; K240-M244 PolarHBondContact O-N 2.64Å; L241-M244 PolarHBondContact O-N 2.95Å; L241-M244 VanDerWaalsContact O-N 3.15Å; T242-M244 VanDerWaalsContact C-N 3.32Å; T242-M244 PolarHBondContact O-N 2.94Å; M244-G246 VanDerWaalsContact C-N 3.31Å; M244-G246 PolarHBondContact O-N 3.49Å; M244-V247 HydrophobicContact CE-CG2 4.05Å; M244-V247 PolarHBondContact O-N 3.42Å; M244-I248 WeakPolarHBondContact O-CD1 3.25Å; M244-I248 VanDerWaalsContact O-CG1 3.25Å; M244-I248 WeakPolarHBondContact O-CG1 3.37Å; M244-I248 PolarHBondContact O-N 3.22Å |
| 245 | D | 98.6 | Very high | 95 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.9 | -47.9 | 171.7 | -171.7 | 81.6 | 0 | 0 | 0 | 111 | L93 P94 V95 L241 T242 V247 I248 R249 | L93-D245 WeakPolarHBondContact CA-OD1 3.49Å; L93-D245 HydrophobicContact CD2-CB 3.97Å; P94-D245 WeakPolarHBondContact CD-OD1 3.5Å; V95-D245 VanDerWaalsContact CB-OD1 3.27Å; V95-D245 WeakPolarHBondContact CB-OD1 3.22Å; V95-D245 WeakPolarHBondContact CG1-OD1 3.23Å; V95-D245 PolarHBondContact N-OD1 3.25Å; L241-D245 PolarHBondContact O-N 2.71Å; T242-D245 PolarHBondContact O-N 3.24Å; D245-V247 VanDerWaalsContact C-N 3.35Å; D245-V247 PolarHBondContact O-N 3.27Å; D245-I248 PolarHBondContact O-N 3.01Å; D245-R249 WeakPolarHBondContact O-CB 3.3Å; D245-R249 PolarHBondContact O-N 3.17Å; D245-R249 IonicContact OD2-NH2 3.57Å |
| 246 | G | 98.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T242 Q243 M244 S250 | T242-G246 PolarHBondContact O-N 3.46Å; Q243-G246 PolarHBondContact O-N 2.65Å; M244-G246 VanDerWaalsContact C-N 3.31Å; M244-G246 PolarHBondContact O-N 3.49Å; G246-S250 VanDerWaalsContact O-CB 3.32Å; G246-S250 WeakPolarHBondContact O-CB 3.35Å; G246-S250 PolarHBondContact O-N 2.92Å; G246-S250 PolarHBondContact O-OG 2.76Å |
| 247 | V | 98.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -50.6 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | L67 L201 L204 F220 Q243 M244 D245 R249 S250 V251 | L67-V247 HydrophobicContact CD1-CG1 4.31Å; L201-V247 HydrophobicContact CD2-CG2 3.66Å; L204-V247 HydrophobicContact CD2-CG1 3.96Å; F220-V247 HydrophobicContact CE2-CG1 4.37Å; F220-V247 HydrophobicContact CZ-CG1 3.96Å; Q243-V247 WeakPolarHBondContact O-CG2 3.28Å; Q243-V247 PolarHBondContact O-N 2.85Å; M244-V247 HydrophobicContact CE-CG2 4.05Å; M244-V247 PolarHBondContact O-N 3.42Å; D245-V247 VanDerWaalsContact C-N 3.35Å; D245-V247 PolarHBondContact O-N 3.27Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 2.73Å; V247-S250 PolarHBondContact O-N 3.21Å; V247-V251 HydrophobicContact CG1-CG2 4.27Å; V247-V251 WeakPolarHBondContact O-CG2 3.32Å; V247-V251 PolarHBondContact O-N 3.49Å |
| 248 | I | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | -178.2 | -66.7 | 161.4 | 0 | 0 | 0 | 109.9 | L67 I69 L93 V95 L96 M244 D245 S250 V251 M252 V263 | L67-I248 HydrophobicContact CD1-CG1 4.37Å; I69-I248 HydrophobicContact CD1-CD1 4.27Å; L93-I248 HydrophobicContact CD2-CD1 4.11Å; V95-I248 HydrophobicContact CG1-CB 4Å; V95-I248 HydrophobicContact CG1-CG2 3.68Å; V95-I248 HydrophobicContact CG2-CG2 4.48Å; L96-I248 HydrophobicContact CD2-CD1 4.3Å; L96-I248 HydrophobicContact CD2-CG2 4.28Å; M244-I248 WeakPolarHBondContact O-CD1 3.25Å; M244-I248 VanDerWaalsContact O-CG1 3.25Å; M244-I248 WeakPolarHBondContact O-CG1 3.37Å; M244-I248 PolarHBondContact O-N 3.22Å; D245-I248 PolarHBondContact O-N 3.01Å; I248-S250 PolarHBondContact O-N 2.7Å; I248-V251 PolarHBondContact O-N 2.89Å; I248-M252 HydrophobicContact CG2-CG 4.39Å; I248-M252 HydrophobicContact CG2-SD 3.86Å; I248-M252 WeakPolarHBondContact O-CB 3.2Å; I248-M252 VanDerWaalsContact O-CG 3.27Å; I248-M252 WeakPolarHBondContact O-CG 3.42Å; I248-M252 PolarHBondContact O-N 3.18Å; I248-V263 HydrophobicContact CD1-CG1 3.95Å; I248-V263 HydrophobicContact CG1-CG1 4.21Å; I248-V263 HydrophobicContact CG1-CG2 4.22Å; I248-V263 HydrophobicContact CG2-CG2 4.47Å |
| 249 | R | 98.1 | Very high | 96.5 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 176.7 | -168.2 | 176.7 | -63.4 | -90.6 | 0.6 | 111.8 | V95 E98 D245 V247 V251 M252 E253 | V95-R249 HydrophobicContact CG2-CB 4.18Å; V95-R249 HydrophobicContact CG2-CG 4.49Å; E98-R249 IonicContact OE1-NH2 3.29Å; E98-R249 IonicContact OE2-CZ 2.65Å; E98-R249 IonicContact OE2-NH1 2.78Å; E98-R249 PolarHBondContact OE2-NH1 3.22Å; E98-R249 IonicContact OE2-NH2 3.12Å; E98-R249 PolarHBondContact OE2-NH2 2.89Å; D245-R249 WeakPolarHBondContact O-CB 3.3Å; D245-R249 PolarHBondContact O-N 3.17Å; D245-R249 IonicContact OD2-NH2 3.57Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 2.73Å; R249-V251 VanDerWaalsContact C-N 3.34Å; R249-V251 PolarHBondContact O-N 3.03Å; R249-M252 PolarHBondContact O-N 2.61Å; R249-E253 WeakPolarHBondContact O-CG 3.34Å; R249-E253 PolarHBondContact O-N 3.47Å; R249-E253 VanDerWaalsContact O-N 3.09Å |
| 250 | S | 98.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 40.8 Ų | 40.8 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 179.6 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | G246 V247 I248 R254 | G246-S250 VanDerWaalsContact O-CB 3.32Å; G246-S250 WeakPolarHBondContact O-CB 3.35Å; G246-S250 PolarHBondContact O-N 2.92Å; G246-S250 PolarHBondContact O-OG 2.76Å; V247-S250 PolarHBondContact O-N 3.21Å; I248-S250 PolarHBondContact O-N 2.7Å; S250-R254 WeakPolarHBondContact O-CD 3.34Å; S250-R254 WeakPolarHBondContact O-CG 3.29Å; S250-R254 PolarHBondContact O-NH1 3.35Å |
| 251 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.8 | -48.8 | 176.1 | 168.1 | 0 | 0 | 0 | 0 | 110.1 | V65 L67 L204 Y205 M208 V247 I248 R249 E253 R254 L255 L261 | V65-V251 HydrophobicContact CG1-CG1 4.17Å; L67-V251 HydrophobicContact CD1-CB 4.31Å; L67-V251 HydrophobicContact CD1-CG1 4.33Å; L67-V251 HydrophobicContact CD1-CG2 4.04Å; L204-V251 HydrophobicContact CD2-CG2 3.99Å; Y205-V251 HydrophobicContact CE1-CG2 4.36Å; M208-V251 HydrophobicContact CE-CB 4.4Å; M208-V251 HydrophobicContact CE-CG1 3.85Å; M208-V251 HydrophobicContact SD-CB 4.39Å; M208-V251 HydrophobicContact SD-CG1 4.17Å; M208-V251 HydrophobicContact SD-CG2 3.94Å; V247-V251 HydrophobicContact CG1-CG2 4.27Å; V247-V251 WeakPolarHBondContact O-CG2 3.32Å; V247-V251 PolarHBondContact O-N 3.49Å; I248-V251 PolarHBondContact O-N 2.89Å; R249-V251 VanDerWaalsContact C-N 3.34Å; R249-V251 PolarHBondContact O-N 3.03Å; V251-E253 VanDerWaalsContact C-N 3.3Å; V251-E253 PolarHBondContact O-N 3.16Å; V251-R254 PolarHBondContact O-N 3.25Å; V251-L255 HydrophobicContact CG1-CD2 4.26Å; V251-L255 WeakPolarHBondContact O-CG 3.25Å; V251-L255 PolarHBondContact O-N 2.85Å; V251-L261 HydrophobicContact CG1-CD1 3.76Å; V251-L261 HydrophobicContact CG1-CD2 4.24Å |
| 252 | M | 97.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.1 | -39.6 | 179.9 | -73.2 | 174.6 | 68.8 | 0 | 0 | 113.4 | V95 T99 I248 R249 R254 L255 L261 F288 Y290 | V95-M252 HydrophobicContact CG2-SD 4.02Å; T99-M252 HydrophobicContact CG2-CE 3.64Å; T99-M252 WeakPolarHBondContact OG1-CE 3.46Å; I248-M252 HydrophobicContact CG2-CG 4.39Å; I248-M252 HydrophobicContact CG2-SD 3.86Å; I248-M252 WeakPolarHBondContact O-CB 3.2Å; I248-M252 VanDerWaalsContact O-CG 3.27Å; I248-M252 WeakPolarHBondContact O-CG 3.42Å; I248-M252 PolarHBondContact O-N 3.18Å; R249-M252 PolarHBondContact O-N 2.61Å; M252-R254 PolarHBondContact O-N 3.16Å; M252-L255 PolarHBondContact O-N 2.8Å; M252-L261 HydrophobicContact CG-CD2 3.57Å; M252-F288 HydrophobicContact SD-CE1 4.37Å; M252-Y290 HydrophobicContact CB-CE1 4.15Å; M252-Y290 HydrophobicContact CE-CD1 3.86Å; M252-Y290 HydrophobicContact CE-CD2 3.88Å; M252-Y290 HydrophobicContact CE-CE1 3.66Å; M252-Y290 HydrophobicContact CE-CE2 3.68Å; M252-Y290 HydrophobicContact CE-CG 3.96Å; M252-Y290 HydrophobicContact CG-CD1 3.89Å; M252-Y290 HydrophobicContact CG-CE1 3.96Å |
| 253 | E | 96 | Very high | 96.9 | Very high | 136 Ų | 136 | 37.1 Ų | 37.1 | 64% | 0.636 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19 | 176.9 | -73.7 | 170.3 | -179.6 | 0 | 0 | 114 | R249 V251 | R249-E253 WeakPolarHBondContact O-CG 3.34Å; R249-E253 PolarHBondContact O-N 3.47Å; R249-E253 VanDerWaalsContact O-N 3.09Å; V251-E253 VanDerWaalsContact C-N 3.3Å; V251-E253 PolarHBondContact O-N 3.16Å |
| 254 | R | 95.9 | Very high | 96.9 | Very high | 100 Ų | 100 | 34.8 Ų | 34.8 | 38% | 0.377 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -0.1 | -174.3 | -68.7 | 165.1 | 178.9 | 65.6 | 3 | 113.3 | M208 S250 V251 M252 | M208-R254 HydrophobicContact CE-CB 3.83Å; S250-R254 WeakPolarHBondContact O-CD 3.34Å; S250-R254 WeakPolarHBondContact O-CG 3.29Å; S250-R254 PolarHBondContact O-NH1 3.35Å; V251-R254 PolarHBondContact O-N 3.25Å; M252-R254 PolarHBondContact O-N 3.16Å |
| 255 | L | 95.8 | Very high | 96.9 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | trans | -75.7 | 146.5 | -179.9 | -63 | 175.6 | 0 | 0 | 0 | 111.8 | V65 M208 V251 M252 T259 L261 Y290 P292 | V65-L255 HydrophobicContact CG2-CD2 4.12Å; M208-L255 HydrophobicContact CE-CD2 3.97Å; V251-L255 HydrophobicContact CG1-CD2 4.26Å; V251-L255 WeakPolarHBondContact O-CG 3.25Å; V251-L255 PolarHBondContact O-N 2.85Å; M252-L255 PolarHBondContact O-N 2.8Å; L255-T259 HydrophobicContact CD2-CG2 3.77Å; L255-L261 HydrophobicContact CD1-CB 3.61Å; L255-L261 HydrophobicContact CD1-CD2 4.15Å; L255-L261 HydrophobicContact CD1-CG 4.44Å; L255-Y290 HydrophobicContact CD1-CD1 3.77Å; L255-Y290 HydrophobicContact CD1-CE1 3.9Å; L255-P292 HydrophobicContact CB-CG 3.71Å | ||
| 256 | Q | 93.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 47% | 0.472 | 17% | 0.168 | S | C | . | . | trans | -94.3 | 161.3 | 170.5 | -63.9 | 178 | -9.9 | 0 | 0 | 110.4 | R63 D258 T259 | R63-Q256 VanDerWaalsContact NH1-OE1 3.12Å; Q256-D258 WeakPolarHBondContact CB-OD1 3.27Å; Q256-D258 PolarHBondContact O-N 2.96Å; Q256-D258 VanDerWaalsContact O-N 3.13Å; Q256-T259 WeakPolarHBondContact O-CB 3.38Å; Q256-T259 PolarHBondContact O-N 3.41Å | ||
| 257 | D | 90.6 | Very high | 96.4 | Very high | 112 Ų | 112 | 32.2 Ų | 32.2 | 60% | 0.599 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.9 | -177 | -72.5 | -18.3 | 0 | 0 | 0 | 114.2 | P292 S293 | D257-P292 WeakPolarHBondContact OD1-CB 3.48Å; D257-S293 WeakPolarHBondContact CB-OG 3.3Å; D257-S293 WeakPolarHBondContact O-CB 3.12Å; D257-S293 PolarHBondContact O-OG 2.94Å |
| 258 | D | 91.6 | Very high | 96.1 | Very high | 51 Ų | 51 | 32 Ų | 32 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 12.4 | 179 | 72.4 | -16.9 | 0 | 0 | 0 | 113.7 | F61 R62 R63 Q256 | F61-D258 WeakPolarHBondContact CA-O 3.47Å; R62-D258 HydrophobicContact CB-CB 4.36Å; R62-D258 WeakPolarHBondContact CB-OD2 3.29Å; R62-D258 WeakPolarHBondContact CD-OD2 3.19Å; R62-D258 PolarHBondContact N-O 3.05Å; R63-D258 PolarHBondContact N-O 3.14Å; Q256-D258 WeakPolarHBondContact CB-OD1 3.27Å; Q256-D258 PolarHBondContact O-N 2.96Å; Q256-D258 VanDerWaalsContact O-N 3.13Å |
| 259 | T | 95.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.5 | -174.9 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | R63 V65 W213 L255 Q256 S291 | R63-T259 HydrophobicContact CB-CG2 3.89Å; R63-T259 WeakPolarHBondContact O-CA 3.43Å; V65-T259 HydrophobicContact CG2-CG2 4.41Å; W213-T259 HydrophobicContact CH2-CG2 4.23Å; L255-T259 HydrophobicContact CD2-CG2 3.77Å; Q256-T259 WeakPolarHBondContact O-CB 3.38Å; Q256-T259 PolarHBondContact O-N 3.41Å; T259-S291 WeakPolarHBondContact O-CB 3.07Å; T259-S291 PolarHBondContact O-OG 3.2Å |
| 260 | L | 97.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.5 | 172.1 | 179.2 | 67.9 | 0 | 0 | 0 | 110.6 | F61 R63 V64 V65 V262 I295 L317 L320 | F61-L260 HydrophobicContact CB-CB 4.46Å; F61-L260 HydrophobicContact CD1-CB 4.08Å; F61-L260 HydrophobicContact CD2-CB 3.99Å; F61-L260 HydrophobicContact CD2-CD2 4.33Å; F61-L260 HydrophobicContact CE1-CB 4.35Å; F61-L260 HydrophobicContact CE2-CB 4.25Å; F61-L260 HydrophobicContact CE2-CD1 4.3Å; F61-L260 HydrophobicContact CE2-CD2 4.39Å; F61-L260 HydrophobicContact CG-CB 3.91Å; F61-L260 HydrophobicContact CZ-CB 4.43Å; F61-L260 HydrophobicContact CZ-CD1 4.32Å; R63-L260 PolarHBondContact O-N 3.09Å; V64-L260 CarbonylContact C-O 3.37Å; V64-L260 VanDerWaalsContact CA-O 3.26Å; V64-L260 WeakPolarHBondContact CA-O 3.27Å; V64-L260 HydrophobicContact CB-CB 4.44Å; V64-L260 HydrophobicContact CG2-CB 4.07Å; V64-L260 HydrophobicContact CG2-CD2 4.22Å; V64-L260 HydrophobicContact CG2-CG 4.23Å; V64-L260 WeakPolarHBondContact CG2-O 3.44Å; V65-L260 PolarHBondContact N-O 3.38Å; L260-V262 HydrophobicContact CD2-CG2 4Å; L260-V262 HydrophobicContact CG-CG2 4.11Å; L260-I295 HydrophobicContact CD1-CD1 4.22Å; L260-L317 HydrophobicContact CD2-CD2 3.69Å; L260-L320 HydrophobicContact CD2-CD1 4.2Å |
| 261 | L | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.2 | 166.5 | 173.9 | 63.5 | 0 | 0 | 0 | 109.7 | V65 L67 V251 M252 L255 V263 L289 Y290 | V65-L261 HydrophobicContact CB-CD1 4.15Å; V65-L261 HydrophobicContact CG1-CD1 4.15Å; V65-L261 WeakPolarHBondContact O-CA 3.39Å; L67-L261 HydrophobicContact CD1-CD1 4.09Å; L67-L261 HydrophobicContact CG-CD1 4Å; V251-L261 HydrophobicContact CG1-CD1 3.76Å; V251-L261 HydrophobicContact CG1-CD2 4.24Å; M252-L261 HydrophobicContact CG-CD2 3.57Å; L255-L261 HydrophobicContact CD1-CB 3.61Å; L255-L261 HydrophobicContact CD1-CD2 4.15Å; L255-L261 HydrophobicContact CD1-CG 4.44Å; L261-V263 HydrophobicContact CD1-CG2 3.96Å; L261-V263 HydrophobicContact CD2-CG2 4.06Å; L261-V263 HydrophobicContact CG-CG2 3.9Å; L261-L289 WeakPolarHBondContact O-CA 3.47Å; L261-Y290 HydrophobicContact CB-CD1 4.39Å; L261-Y290 HydrophobicContact CD2-CD1 4.29Å; L261-Y290 PolarHBondContact N-O 3.24Å; L261-Y290 PolarHBondContact O-N 3.23Å |
| 262 | V | 98.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.4 | 171.8 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | V64 V65 V66 L67 L260 M264 L287 L289 L313 L317 | V64-V262 HydrophobicContact CG2-CG2 3.98Å; V65-V262 PolarHBondContact O-N 3.02Å; V66-V262 CarbonylContact C-O 3.58Å; V66-V262 WeakPolarHBondContact CA-O 3.33Å; V66-V262 HydrophobicContact CG1-CB 4.24Å; V66-V262 HydrophobicContact CG1-CG1 4.29Å; V66-V262 HydrophobicContact CG2-CB 4.33Å; L67-V262 PolarHBondContact N-O 3.16Å; L260-V262 HydrophobicContact CD2-CG2 4Å; L260-V262 HydrophobicContact CG-CG2 4.11Å; V262-M264 HydrophobicContact CG1-CG 4.43Å; V262-M264 HydrophobicContact CG1-SD 4.13Å; V262-L287 HydrophobicContact CG1-CD1 3.79Å; V262-L289 HydrophobicContact CB-CD2 4.3Å; V262-L289 HydrophobicContact CG1-CD2 4.06Å; V262-L289 HydrophobicContact CG2-CD2 3.87Å; V262-L313 HydrophobicContact CG1-CD1 4.21Å; V262-L317 HydrophobicContact CG2-CD2 4.09Å |
| 263 | V | 98.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.5 | 170.3 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | L67 I69 L72 I248 L261 L287 F288 | L67-V263 HydrophobicContact CB-CG1 4.4Å; L67-V263 HydrophobicContact CB-CG2 4.28Å; L67-V263 HydrophobicContact CD1-CG2 4.17Å; L67-V263 CarbonylContact O-C 3.49Å; L67-V263 WeakPolarHBondContact O-CA 3.14Å; I69-V263 HydrophobicContact CD1-CG1 3.91Å; L72-V263 HydrophobicContact CD2-CG1 4.4Å; I248-V263 HydrophobicContact CD1-CG1 3.95Å; I248-V263 HydrophobicContact CG1-CG1 4.21Å; I248-V263 HydrophobicContact CG1-CG2 4.22Å; I248-V263 HydrophobicContact CG2-CG2 4.47Å; L261-V263 HydrophobicContact CD1-CG2 3.96Å; L261-V263 HydrophobicContact CD2-CG2 4.06Å; L261-V263 HydrophobicContact CG-CG2 3.9Å; V263-L287 CarbonylContact O-C 3.33Å; V263-L287 WeakPolarHBondContact O-CA 3.33Å; V263-F288 HydrophobicContact CB-CB 4.19Å; V263-F288 HydrophobicContact CB-CD1 4.27Å; V263-F288 HydrophobicContact CG2-CD1 4.02Å; V263-F288 PolarHBondContact N-O 3.08Å; V263-F288 PolarHBondContact O-N 3.35Å |
| 264 | M | 98.3 | Very high | 87 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 149.7 | -171.9 | 58.6 | -175.1 | -76.7 | 0 | 0 | 112.5 | V66 L67 I68 I69 F112 F127 V262 A286 L287 L313 | V66-M264 HydrophobicContact CG1-CG 4.38Å; V66-M264 HydrophobicContact CG1-SD 3.78Å; L67-M264 PolarHBondContact O-N 3.36Å; I68-M264 WeakPolarHBondContact CA-O 3.37Å; I68-M264 HydrophobicContact CB-CG 4.5Å; I68-M264 HydrophobicContact CG1-CG 4.03Å; I68-M264 HydrophobicContact CG1-SD 4.21Å; I69-M264 PolarHBondContact N-O 3.01Å; F112-M264 HydrophobicContact CD1-CB 4.45Å; F112-M264 HydrophobicContact CE1-CB 4.34Å; F112-M264 HydrophobicContact CE1-CE 3.6Å; F112-M264 HydrophobicContact CZ-CE 4.08Å; F127-M264 HydrophobicContact CB-CE 4.2Å; F127-M264 HydrophobicContact CD1-CE 3.88Å; F127-M264 HydrophobicContact CD2-CE 4.04Å; F127-M264 HydrophobicContact CE1-CE 4.22Å; F127-M264 HydrophobicContact CE2-CE 4.36Å; F127-M264 HydrophobicContact CG-CE 3.8Å; F127-M264 HydrophobicContact CZ-CE 4.44Å; V262-M264 HydrophobicContact CG1-CG 4.43Å; V262-M264 HydrophobicContact CG1-SD 4.13Å; M264-A286 CarbonylContact C-O 3.55Å; M264-A286 VanDerWaalsContact CA-O 3.25Å; M264-A286 WeakPolarHBondContact CA-O 3.47Å; M264-L287 HydrophobicContact CB-CD1 4.13Å; M264-L313 HydrophobicContact CE-CD2 3.67Å; M264-L313 HydrophobicContact SD-CD2 3.6Å |
| 265 | G | 97.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -94 | 144.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I69 F112 A285 A286 Q310 | I69-G265 WeakPolarHBondContact O-CA 3.44Å; F112-G265 WeakPolarHBondContact CD1-O 3.38Å; G265-A285 WeakPolarHBondContact O-CB 3.38Å; G265-A286 PolarHBondContact N-O 2.84Å; G265-Q310 PolarHBondContact O-NE2 2.9Å | ||
| 266 | D | 94.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -81.3 | -31.8 | 174.4 | 71.2 | -38 | 0 | 0 | 0 | 111.9 | I68 D70 A71 T120 R123 F127 Q310 | I68-D266 HydrophobicContact CG2-CB 4.37Å; D70-D266 WeakPolarHBondContact CA-OD1 3.37Å; A71-D266 PolarHBondContact N-OD1 2.91Å; T120-D266 WeakPolarHBondContact CA-OD2 3.3Å; R123-D266 HydrophobicContact CB-CB 3.82Å; R123-D266 VanDerWaalsContact CD-O 3.23Å; R123-D266 WeakPolarHBondContact CD-O 3.27Å; R123-D266 HydrophobicContact CG-CB 4.21Å; R123-D266 WeakPolarHBondContact CG-O 3.17Å; F127-D266 HydrophobicContact CE1-CB 3.76Å; D266-Q310 PolarHBondContact O-NE2 2.76Å; D266-Q310 PolarHBondContact O-OE1 3.31Å |
| 267 | H | 93.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -150 | -179.5 | 168.4 | 53.5 | 77.2 | 0 | 0 | 0 | 111.8 | D70 A71 T118 T120 R123 D224 H275 A285 | D70-H267 IonicContact OD1-CE1 3.97Å; D70-H267 PolarHBondContact OD1-CE1 3.03Å; D70-H267 IonicContact OD1-NE2 3.86Å; D70-H267 PolarHBondContact OD1-NE2 3.31Å; A71-H267 CarbonylContact C-O 3.6Å; A71-H267 VanDerWaalsContact CA-O 3.25Å; A71-H267 WeakPolarHBondContact CA-O 3.46Å; T118-H267 HydrophobicContact CG2-CB 4.38Å; T118-H267 PolarHBondContact O-CD2 3.35Å; T118-H267 VanDerWaalsContact O-CD2 3.25Å; T120-H267 PolarHBondContact OG1-NE2 3.21Å; R123-H267 HydrophobicContact CG-CB 4.38Å; D224-H267 IonicContact OD1-CE1 3.62Å; H267-H275 AromaticContact CD2-ND1 3.86Å; H267-H275 AromaticContact CE1-CD2 3.61Å; H267-H275 AromaticContact CE1-CE1 3.31Å; H267-H275 PolarHBondContact CE1-CE1 2.92Å; H267-H275 AromaticContact CE1-CG 3.37Å; H267-H275 AromaticContact CE1-ND1 3.18Å; H267-H275 PolarHBondContact CE1-ND1 3Å; H267-H275 AromaticContact CE1-NE2 3.64Å; H267-H275 AromaticContact ND1-CG 3.71Å; H267-H275 AromaticContact ND1-ND1 3.71Å; H267-H275 AromaticContact NE2-CE1 3.17Å; H267-H275 PolarHBondContact NE2-CE1 3.38Å; H267-H275 AromaticContact NE2-CG 3.87Å; H267-H275 AromaticContact NE2-ND1 3.17Å; H267-H275 PolarHBondContact NE2-ND1 3.25Å; H267-H275 VanDerWaalsContact NE2-ND1 3.17Å; H267-H275 AromaticContact NE2-NE2 3.91Å; H267-A285 WeakPolarHBondContact O-CB 3.26Å | ||
| 268 | G | 90.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -100.2 | -163.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K281 E282 | G268-K281 CarbonylContact C-O 3.49Å; G268-K281 WeakPolarHBondContact CA-O 3.15Å; G268-E282 PolarHBondContact N-O 3.2Å | ||
| 269 | M | 80.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | trans | -146.5 | 159.7 | 175.5 | 64.3 | 178 | 68.2 | 0 | 0 | 111.6 | A71 K73 F76 V223 P232 M237 D274 K281 | A71-M269 HydrophobicContact CB-CE 3.32Å; K73-M269 PolarHBondContact NZ-O 3.16Å; F76-M269 HydrophobicContact CE2-CE 4.04Å; F76-M269 HydrophobicContact CE2-SD 4.22Å; F76-M269 HydrophobicContact CZ-CE 4.34Å; F76-M269 HydrophobicContact CZ-CG 4.22Å; F76-M269 HydrophobicContact CZ-SD 3.9Å; V223-M269 HydrophobicContact CG1-CE 4.43Å; P232-M269 HydrophobicContact CB-SD 4.01Å; P232-M269 HydrophobicContact CG-SD 4.31Å; M237-M269 HydrophobicContact CE-CE 4.14Å; M237-M269 HydrophobicContact CE-SD 4.2Å; M269-D274 CarbonylContact C-O 3.6Å; M269-D274 VanDerWaalsContact CA-O 3.31Å; M269-D274 WeakPolarHBondContact CA-O 3.35Å; M269-K281 PolarHBondContact N-O 3.3Å | ||
| 270 | T | 72.1 | Confident | 79.9 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | trans | -72.3 | 174.4 | 170.4 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | T272 G273 D274 E282 | T270-T272 PolarHBondContact O-N 3.21Å; T270-T272 PolarHBondContact OG1-N 3.48Å; T270-T272 PolarHBondContact OG1-OG1 3.26Å; T270-G273 PolarHBondContact O-N 3.17Å; T270-G273 PolarHBondContact OG1-N 2.97Å; T270-D274 HydrophobicContact CG2-CB 4.33Å; T270-D274 WeakPolarHBondContact CG2-O 3.45Å; T270-D274 PolarHBondContact N-O 2.81Å; T270-D274 PolarHBondContact OG1-N 2.83Å; T270-D274 PolarHBondContact OG1-O 2.66Å; T270-E282 HydrophobicContact CG2-CG 3.77Å | ||
| 271 | D | 69.4 | Low | 78.9 | Confident | 105 Ų | 105 | 30.2 Ų | 30.2 | 56% | 0.561 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.4 | 175.9 | -54.5 | -39.7 | 0 | 0 | 0 | 113 | P232 K281 | P232-D271 WeakPolarHBondContact CD-O 3.34Å; D271-K281 IonicContact OD1-NZ 2.82Å; D271-K281 PolarHBondContact OD1-NZ 2.9Å; D271-K281 IonicContact OD2-NZ 3.79Å; D271-K281 PolarHBondContact OD2-NZ 3.44Å |
| 272 | T | 55.8 | Low | 78 | Confident | 93 Ų | 93 | 30.8 Ų | 30.8 | 57% | 0.571 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4 | 173.6 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | T270 D274 | T270-T272 PolarHBondContact O-N 3.21Å; T270-T272 PolarHBondContact OG1-N 3.48Å; T270-T272 PolarHBondContact OG1-OG1 3.26Å; T272-D274 PolarHBondContact OG1-OD2 3.1Å |
| 273 | G | 59.4 | Low | 77.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 84.3 | 12.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G227 H228 T270 | G227-G273 WeakPolarHBondContact O-CA 3.5Å; H228-G273 PolarHBondContact ND1-O 3.39Å; T270-G273 PolarHBondContact O-N 3.17Å; T270-G273 PolarHBondContact OG1-N 2.97Å |
| 274 | D | 58.1 | Low | 77.1 | Confident | 65 Ų | 65 | 31.9 Ų | 31.9 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | trans | -86 | 163.1 | 175 | -63.6 | -69.8 | 0 | 0 | 0 | 111.8 | M269 T270 T272 | M269-D274 CarbonylContact C-O 3.6Å; M269-D274 VanDerWaalsContact CA-O 3.31Å; M269-D274 WeakPolarHBondContact CA-O 3.35Å; T270-D274 HydrophobicContact CG2-CB 4.33Å; T270-D274 WeakPolarHBondContact CG2-O 3.45Å; T270-D274 PolarHBondContact N-O 2.81Å; T270-D274 PolarHBondContact OG1-N 2.83Å; T270-D274 PolarHBondContact OG1-O 2.66Å; T272-D274 PolarHBondContact OG1-OD2 3.1Å | ||
| 275 | H | 73.5 | Confident | 77.1 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.046 | 17% | 0.171 | C | C | . | . | trans | -153 | -165 | 173.4 | 61.4 | 101.1 | 0 | 0 | 0 | 111.4 | T118 D224 H228 H267 E282 L1034 | T118-H275 PolarHBondContact O-ND1 3.12Å; D224-H275 IonicContact OD1-CD2 2.81Å; D224-H275 IonicContact OD1-NE2 3.94Å; D224-H275 PolarHBondContact OD1-NE2 2.94Å; H228-H275 AromaticContact CE1-CD2 3.25Å; H228-H275 PolarHBondContact CE1-CD2 3.25Å; H228-H275 AromaticContact CE1-NE2 3.17Å; H228-H275 PolarHBondContact CE1-NE2 3.31Å; H228-H275 AromaticContact NE2-CD2 3.22Å; H228-H275 PolarHBondContact NE2-CD2 3.09Å; H228-H275 AromaticContact NE2-NE2 2.84Å; H228-H275 PolarHBondContact NE2-NE2 3.19Å; H267-H275 AromaticContact CD2-ND1 3.86Å; H267-H275 AromaticContact CE1-CD2 3.61Å; H267-H275 AromaticContact CE1-CE1 3.31Å; H267-H275 PolarHBondContact CE1-CE1 2.92Å; H267-H275 AromaticContact CE1-CG 3.37Å; H267-H275 AromaticContact CE1-ND1 3.18Å; H267-H275 PolarHBondContact CE1-ND1 3Å; H267-H275 AromaticContact CE1-NE2 3.64Å; H267-H275 AromaticContact ND1-CG 3.71Å; H267-H275 AromaticContact ND1-ND1 3.71Å; H267-H275 AromaticContact NE2-CE1 3.17Å; H267-H275 PolarHBondContact NE2-CE1 3.38Å; H267-H275 AromaticContact NE2-CG 3.87Å; H267-H275 AromaticContact NE2-ND1 3.17Å; H267-H275 PolarHBondContact NE2-ND1 3.25Å; H267-H275 VanDerWaalsContact NE2-ND1 3.17Å; H267-H275 AromaticContact NE2-NE2 3.91Å; H275-E282 WeakPolarHBondContact CA-OE1 3.45Å; H275-E282 HydrophobicContact CB-CG 4.46Å; H275-L1034 VanDerWaalsContact O-CA 3.26Å; H275-L1034 WeakPolarHBondContact O-CA 3.3Å; H275-L1034 VanDerWaalsContact O-CB 3.32Å; H275-L1034 WeakPolarHBondContact O-CB 3.42Å; H275-L1034 WeakPolarHBondContact O-CD1 3.45Å | ||
| 276 | G | 61.3 | Low | 77.1 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 95.7 | -11.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T118 E282 | T118-G276 PolarHBondContact O-N 3.09Å; T118-G276 VanDerWaalsContact OG1-C 3.27Å; T118-G276 WeakPolarHBondContact OG1-CA 3.3Å; T118-G276 PolarHBondContact OG1-N 2.94Å; G276-E282 PolarHBondContact N-OE1 3.23Å |
| 277 | G | 60.7 | Low | 77.3 | Confident | 5 Ų | 5 | 32 Ų | 32 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -91.4 | -160.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T118 E282 | T118-G277 PolarHBondContact OG1-N 3.31Å; T118-G277 PolarHBondContact OG1-O 3.11Å; G277-E282 VanDerWaalsContact CA-OE1 3.26Å; G277-E282 WeakPolarHBondContact CA-OE1 3.49Å; G277-E282 PolarHBondContact N-OE1 3.38Å |
| 278 | D | 67.6 | Low | 77.5 | Confident | 62 Ų | 62 | 32 Ų | 32 | 33% | 0.332 | 17% | 0.172 | S | C | . | . | trans | -116.6 | 9.4 | -177.5 | 71.2 | -20.9 | 0 | 0 | 0 | 113.7 | P116 R1032 | P116-D278 HydrophobicContact CB-CB 4.15Å; P116-D278 HydrophobicContact CG-CB 3.53Å; D278-R1032 WeakPolarHBondContact OD1-CD 3.36Å; D278-R1032 IonicContact OD1-CZ 3.22Å; D278-R1032 VanDerWaalsContact OD1-CZ 3.25Å; D278-R1032 IonicContact OD1-NE 3.87Å; D278-R1032 PolarHBondContact OD1-NE 3.32Å; D278-R1032 IonicContact OD1-NH2 3.74Å; D278-R1032 PolarHBondContact OD1-NH2 3.39Å; D278-R1032 IonicContact OD2-CZ 3.9Å; D278-R1032 IonicContact OD2-NE 3.54Å; D278-R1032 PolarHBondContact OD2-NE 3.43Å; D278-R1032 IonicContact OD2-NH2 2.94Å; D278-R1032 PolarHBondContact OD2-NH2 2.95Å | ||
| 279 | S | 70.8 | Confident | 77.9 | Confident | 40 Ų | 40 | 32.3 Ų | 32.3 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | trans | -71.6 | 148.6 | 179.9 | 79 | 0 | 0 | 0 | 0 | 110.8 | K281 E282 T283 | S279-K281 PolarHBondContact O-N 3.42Å; S279-E282 WeakPolarHBondContact CB-OE2 3.42Å; S279-E282 PolarHBondContact N-OE2 2.79Å; S279-E282 PolarHBondContact O-N 3.2Å; S279-E282 VanDerWaalsContact OG-CG 3.28Å; S279-E282 WeakPolarHBondContact OG-CG 3.49Å; S279-E282 PolarHBondContact OG-N 3.02Å; S279-E282 PolarHBondContact OG-OE2 2.82Å; S279-T283 WeakPolarHBondContact O-CG2 3.38Å; S279-T283 PolarHBondContact O-N 3.3Å; S279-T283 PolarHBondContact O-OG1 3.34Å | ||
| 280 | Q | 81 | Confident | 78.7 | Confident | 133 Ų | 133 | 32.6 Ų | 32.6 | 62% | 0.621 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -55 | -33.1 | 178.2 | -171 | 174.1 | 10.2 | 0 | 0 | 112.2 | E282 T283 D284 | Q280-E282 VanDerWaalsContact C-N 3.31Å; Q280-E282 PolarHBondContact O-N 3.43Å; Q280-T283 WeakPolarHBondContact CA-OG1 3.17Å; Q280-T283 PolarHBondContact O-N 2.69Å; Q280-T283 PolarHBondContact O-OG1 3.46Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.45Å; Q280-D284 PolarHBondContact NE2-OD2 3.29Å; Q280-D284 VanDerWaalsContact O-CB 3.31Å; Q280-D284 WeakPolarHBondContact O-CB 3.43Å; Q280-D284 PolarHBondContact O-N 3.18Å |
| 281 | K | 76.3 | Confident | 79.8 | Confident | 86 Ų | 86 | 31.2 Ų | 31.2 | 37% | 0.374 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.7 | -74 | -166.8 | -178.5 | -169 | 0 | 112.7 | K73 G268 M269 D271 S279 | K73-K281 PolarHBondContact NZ-O 2.95Å; G268-K281 CarbonylContact C-O 3.49Å; G268-K281 WeakPolarHBondContact CA-O 3.15Å; M269-K281 PolarHBondContact N-O 3.3Å; D271-K281 IonicContact OD1-NZ 2.82Å; D271-K281 PolarHBondContact OD1-NZ 2.9Å; D271-K281 IonicContact OD2-NZ 3.79Å; D271-K281 PolarHBondContact OD2-NZ 3.44Å; S279-K281 PolarHBondContact O-N 3.42Å |
| 282 | E | 80.4 | Confident | 81.1 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -84.1 | -27.1 | 179.2 | -62.9 | 166.4 | 89.6 | 0 | 0 | 111.9 | T118 G268 T270 H275 G276 G277 S279 Q280 | T118-E282 HydrophobicContact CG2-CB 4.43Å; T118-E282 WeakPolarHBondContact CG2-O 3.08Å; G268-E282 PolarHBondContact N-O 3.2Å; T270-E282 HydrophobicContact CG2-CG 3.77Å; H275-E282 WeakPolarHBondContact CA-OE1 3.45Å; H275-E282 HydrophobicContact CB-CG 4.46Å; G276-E282 PolarHBondContact N-OE1 3.23Å; G277-E282 VanDerWaalsContact CA-OE1 3.26Å; G277-E282 WeakPolarHBondContact CA-OE1 3.49Å; G277-E282 PolarHBondContact N-OE1 3.38Å; S279-E282 WeakPolarHBondContact CB-OE2 3.42Å; S279-E282 PolarHBondContact N-OE2 2.79Å; S279-E282 PolarHBondContact O-N 3.2Å; S279-E282 VanDerWaalsContact OG-CG 3.28Å; S279-E282 WeakPolarHBondContact OG-CG 3.49Å; S279-E282 PolarHBondContact OG-N 3.02Å; S279-E282 PolarHBondContact OG-OE2 2.82Å; Q280-E282 VanDerWaalsContact C-N 3.31Å; Q280-E282 PolarHBondContact O-N 3.43Å |
| 283 | T | 86.4 | Confident | 82.8 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 7% | 0.067 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -88.9 | -30.9 | -177.5 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | R113 A114 P116 T118 S279 Q280 A285 | R113-T283 WeakPolarHBondContact CA-O 3.43Å; A114-T283 PolarHBondContact N-O 2.84Å; A114-T283 VanDerWaalsContact O-CB 3.27Å; A114-T283 WeakPolarHBondContact O-CB 3.41Å; A114-T283 VanDerWaalsContact O-CG2 3.28Å; A114-T283 WeakPolarHBondContact O-CG2 3.28Å; P116-T283 HydrophobicContact CG-CG2 4.22Å; T118-T283 HydrophobicContact CG2-CG2 3.93Å; S279-T283 WeakPolarHBondContact O-CG2 3.38Å; S279-T283 PolarHBondContact O-N 3.3Å; S279-T283 PolarHBondContact O-OG1 3.34Å; Q280-T283 WeakPolarHBondContact CA-OG1 3.17Å; Q280-T283 PolarHBondContact O-N 2.69Å; Q280-T283 PolarHBondContact O-OG1 3.46Å; T283-A285 PolarHBondContact O-N 2.95Å |
| 284 | D | 92.9 | Very high | 84.3 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 94.2 | -174.8 | -70.3 | 3.9 | 0 | 0 | 0 | 111.2 | I74 R113 Q280 | I74-D284 HydrophobicContact CG2-CB 4.01Å; I74-D284 PolarHBondContact N-O 2.94Å; R113-D284 IonicContact CZ-OD1 2.95Å; R113-D284 IonicContact CZ-OD2 2.83Å; R113-D284 IonicContact NE-OD1 3.49Å; R113-D284 PolarHBondContact NE-OD1 3.38Å; R113-D284 IonicContact NH2-OD1 3.82Å; R113-D284 PolarHBondContact NH2-OD1 2.98Å; R113-D284 IonicContact NH2-OD2 3.78Å; R113-D284 PolarHBondContact NH2-OD2 3.02Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.45Å; Q280-D284 PolarHBondContact NE2-OD2 3.29Å; Q280-D284 VanDerWaalsContact O-CB 3.31Å; Q280-D284 WeakPolarHBondContact O-CB 3.43Å; Q280-D284 PolarHBondContact O-N 3.18Å |
| 285 | A | 96.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 179.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | L72 I74 F112 G265 H267 T283 | L72-A285 CarbonylContact O-C 3.51Å; L72-A285 WeakPolarHBondContact O-CA 3.46Å; I74-A285 WeakPolarHBondContact CB-O 3.17Å; F112-A285 HydrophobicContact CB-CB 4.36Å; F112-A285 HydrophobicContact CD1-CB 4.48Å; F112-A285 PolarHBondContact N-O 2.93Å; F112-A285 WeakPolarHBondContact O-CA 3.47Å; F112-A285 WeakPolarHBondContact O-CB 3.49Å; F112-A285 PolarHBondContact O-N 3.45Å; G265-A285 WeakPolarHBondContact O-CB 3.38Å; H267-A285 WeakPolarHBondContact O-CB 3.26Å; T283-A285 PolarHBondContact O-N 2.95Å |
| 286 | A | 97.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 147.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L72 I74 A77 L109 M264 G265 | L72-A286 HydrophobicContact CD2-CB 3.95Å; L72-A286 HydrophobicContact CG-CB 3.98Å; L72-A286 PolarHBondContact O-N 3.42Å; I74-A286 HydrophobicContact CD1-CB 4.26Å; A77-A286 HydrophobicContact CB-CB 3.63Å; L109-A286 HydrophobicContact CD1-CB 4.41Å; M264-A286 CarbonylContact C-O 3.55Å; M264-A286 VanDerWaalsContact CA-O 3.25Å; M264-A286 WeakPolarHBondContact CA-O 3.47Å; G265-A286 PolarHBondContact N-O 2.84Å |
| 287 | L | 98.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 117.4 | 165.4 | 171.7 | 67.6 | 0 | 0 | 0 | 109.3 | L109 Y110 F112 V262 V263 M264 L289 V308 | L109-L287 CarbonylContact C-O 3.49Å; L109-L287 WeakPolarHBondContact CA-O 3.47Å; Y110-L287 PolarHBondContact N-O 2.67Å; Y110-L287 PolarHBondContact O-N 2.93Å; F112-L287 HydrophobicContact CB-CB 3.57Å; F112-L287 HydrophobicContact CD1-CB 4.37Å; F112-L287 HydrophobicContact CD2-CB 3.84Å; F112-L287 HydrophobicContact CD2-CD2 3.76Å; F112-L287 HydrophobicContact CD2-CG 4.31Å; F112-L287 HydrophobicContact CE2-CD2 3.98Å; F112-L287 HydrophobicContact CG-CB 3.7Å; F112-L287 HydrophobicContact CG-CD2 4.47Å; V262-L287 HydrophobicContact CG1-CD1 3.79Å; V263-L287 CarbonylContact O-C 3.33Å; V263-L287 WeakPolarHBondContact O-CA 3.33Å; M264-L287 HydrophobicContact CB-CD1 4.13Å; L287-L289 HydrophobicContact CD1-CD2 3.94Å; L287-L289 HydrophobicContact CD1-CG 4.33Å; L287-L289 HydrophobicContact CG-CD2 4.38Å; L287-L289 HydrophobicContact CG-CG 4.24Å; L287-V308 HydrophobicContact CD2-CB 4.21Å; L287-V308 HydrophobicContact CD2-CG1 3.9Å; L287-V308 HydrophobicContact CD2-CG2 4.49Å |
| 288 | F | 98.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.4 | 172.9 | 174 | -108.3 | 0 | 0 | 0 | 110.1 | L96 T99 V100 R108 L109 M252 V263 Y290 | L96-F288 HydrophobicContact CD2-CB 4.06Å; L96-F288 HydrophobicContact CD2-CD1 3.54Å; L96-F288 HydrophobicContact CD2-CD2 4Å; L96-F288 HydrophobicContact CD2-CE1 3.85Å; L96-F288 HydrophobicContact CD2-CE2 4.29Å; L96-F288 HydrophobicContact CD2-CG 3.6Å; L96-F288 HydrophobicContact CD2-CZ 4.21Å; T99-F288 HydrophobicContact CG2-CZ 3.98Å; V100-F288 HydrophobicContact CG2-CD2 4.34Å; V100-F288 HydrophobicContact CG2-CE2 3.84Å; R108-F288 WeakPolarHBondContact O-CA 3.45Å; R108-F288 WeakPolarHBondContact O-CD2 3.39Å; L109-F288 HydrophobicContact CB-CD2 4.34Å; L109-F288 HydrophobicContact CD1-CB 4.06Å; M252-F288 HydrophobicContact SD-CE1 4.37Å; V263-F288 HydrophobicContact CB-CB 4.19Å; V263-F288 HydrophobicContact CB-CD1 4.27Å; V263-F288 HydrophobicContact CG2-CD1 4.02Å; V263-F288 PolarHBondContact N-O 3.08Å; V263-F288 PolarHBondContact O-N 3.35Å; F288-Y290 HydrophobicContact CE1-CG 4.41Å; F288-Y290 HydrophobicContact CZ-CD2 4.49Å; F288-Y290 HydrophobicContact CZ-CG 4.38Å |
| 289 | L | 97.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.3 | 179 | -61.7 | 175.2 | 0 | 0 | 0 | 108.8 | G107 R108 L261 V262 L287 I295 F296 L334 L337 | G107-L289 CarbonylContact C-O 3.59Å; G107-L289 WeakPolarHBondContact CA-O 3.47Å; R108-L289 PolarHBondContact N-O 3.43Å; R108-L289 PolarHBondContact O-N 3.29Å; L261-L289 WeakPolarHBondContact O-CA 3.47Å; V262-L289 HydrophobicContact CB-CD2 4.3Å; V262-L289 HydrophobicContact CG1-CD2 4.06Å; V262-L289 HydrophobicContact CG2-CD2 3.87Å; L287-L289 HydrophobicContact CD1-CD2 3.94Å; L287-L289 HydrophobicContact CD1-CG 4.33Å; L287-L289 HydrophobicContact CG-CD2 4.38Å; L287-L289 HydrophobicContact CG-CG 4.24Å; L289-I295 HydrophobicContact CB-CD1 4.41Å; L289-F296 HydrophobicContact CB-CZ 4.4Å; L289-F296 HydrophobicContact CD1-CZ 4.43Å; L289-L334 HydrophobicContact CD1-CD2 4.24Å; L289-L337 HydrophobicContact CD1-CD1 3.82Å; L289-L337 HydrophobicContact CD1-CD2 4.39Å |
| 290 | Y | 97.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 34 Ų | 34 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 146.2 | -179.9 | 173.4 | -100 | 0 | 0 | 0 | 112.7 | T99 R103 Q106 M252 L255 L261 F288 P292 | T99-Y290 HydrophobicContact CG2-CD2 3.66Å; T99-Y290 HydrophobicContact CG2-CE2 3.73Å; R103-Y290 PolarHBondContact NH1-OH 3.29Å; Q106-Y290 HydrophobicContact CB-CD2 4.2Å; Q106-Y290 HydrophobicContact CB-CE2 3.92Å; Q106-Y290 VanDerWaalsContact O-CA 3.32Å; Q106-Y290 WeakPolarHBondContact O-CA 3.27Å; M252-Y290 HydrophobicContact CB-CE1 4.15Å; M252-Y290 HydrophobicContact CE-CD1 3.86Å; M252-Y290 HydrophobicContact CE-CD2 3.88Å; M252-Y290 HydrophobicContact CE-CE1 3.66Å; M252-Y290 HydrophobicContact CE-CE2 3.68Å; M252-Y290 HydrophobicContact CE-CG 3.96Å; M252-Y290 HydrophobicContact CG-CD1 3.89Å; M252-Y290 HydrophobicContact CG-CE1 3.96Å; L255-Y290 HydrophobicContact CD1-CD1 3.77Å; L255-Y290 HydrophobicContact CD1-CE1 3.9Å; L261-Y290 HydrophobicContact CB-CD1 4.39Å; L261-Y290 HydrophobicContact CD2-CD1 4.29Å; L261-Y290 PolarHBondContact N-O 3.24Å; L261-Y290 PolarHBondContact O-N 3.23Å; F288-Y290 HydrophobicContact CE1-CG 4.41Å; F288-Y290 HydrophobicContact CZ-CD2 4.49Å; F288-Y290 HydrophobicContact CZ-CG 4.38Å; Y290-P292 HydrophobicContact CE1-CG 4.45Å |
| 291 | S | 96.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -145.2 | 151.7 | 162.8 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | Q106 T259 S293 I295 | Q106-S291 WeakPolarHBondContact CB-O 3.31Å; Q106-S291 PolarHBondContact O-N 2.94Å; T259-S291 WeakPolarHBondContact O-CB 3.07Å; T259-S291 PolarHBondContact O-OG 3.2Å; S291-S293 CarbonylContact C-O 3.54Å; S291-S293 PolarHBondContact O-N 2.74Å; S291-S293 VanDerWaalsContact O-O 3.12Å; S291-I295 VanDerWaalsContact CB-CG2 3.43Å | ||
| 292 | P | 95.1 | Very high | 89.7 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -58.5 | -32.2 | 171.7 | -25.2 | 36.1 | 0 | 0 | 0 | 113 | Q106 L255 D257 Y290 | Q106-P292 VanDerWaalsContact CD-O 3.25Å; Q106-P292 PolarHBondContact NE2-O 3.43Å; L255-P292 HydrophobicContact CB-CG 3.71Å; D257-P292 WeakPolarHBondContact OD1-CB 3.48Å; Y290-P292 HydrophobicContact CE1-CG 4.45Å |
| 293 | S | 92.3 | Very high | 89.3 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -83.9 | 153.8 | 172.1 | -74.3 | 0 | 0 | 0 | 0 | 111.9 | D257 S291 I295 | D257-S293 WeakPolarHBondContact CB-OG 3.3Å; D257-S293 WeakPolarHBondContact O-CB 3.12Å; D257-S293 PolarHBondContact O-OG 2.94Å; S291-S293 CarbonylContact C-O 3.54Å; S291-S293 PolarHBondContact O-N 2.74Å; S291-S293 VanDerWaalsContact O-O 3.12Å; S293-I295 WeakPolarHBondContact O-CG2 3.29Å; S293-I295 PolarHBondContact O-N 3.07Å |
| 294 | A | 90.9 | Very high | 89.2 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | trans | -63.3 | 124.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R60 A105 | R60-A294 PolarHBondContact NH2-O 3.44Å; A105-A294 HydrophobicContact CB-CB 4.24Å | ||
| 295 | I | 90.6 | Very high | 88.9 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -111 | -25.8 | -179.1 | 68.3 | -179.3 | 0 | 0 | 0 | 113.3 | R60 F61 A105 Q106 L260 L289 S291 S293 L337 | R60-I295 VanDerWaalsContact NH2-CA 3.32Å; R60-I295 PolarHBondContact NH2-O 2.95Å; R60-I295 VanDerWaalsContact NH2-O 3.13Å; F61-I295 HydrophobicContact CE1-CG2 4.12Å; F61-I295 HydrophobicContact CZ-CB 4.46Å; F61-I295 HydrophobicContact CZ-CG2 3.55Å; A105-I295 PolarHBondContact O-N 3.28Å; Q106-I295 WeakPolarHBondContact O-CD1 3.09Å; L260-I295 HydrophobicContact CD1-CD1 4.22Å; L289-I295 HydrophobicContact CB-CD1 4.41Å; S291-I295 VanDerWaalsContact CB-CG2 3.43Å; S293-I295 WeakPolarHBondContact O-CG2 3.29Å; S293-I295 PolarHBondContact O-N 3.07Å; I295-L337 HydrophobicContact CB-CD2 4.38Å; I295-L337 HydrophobicContact CD1-CD2 4.14Å; I295-L337 HydrophobicContact CG1-CD2 4.25Å | ||
| 296 | F | 89.9 | Confident | 88.5 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -106.8 | 151.5 | 176.9 | -61.5 | -75.3 | 0 | 0 | 0 | 111.1 | A105 R108 L289 G298 P336 L337 | A105-F296 PolarHBondContact O-N 3.19Å; R108-F296 HydrophobicContact CB-CD2 4.17Å; R108-F296 HydrophobicContact CB-CE1 4.15Å; R108-F296 HydrophobicContact CB-CE2 3.43Å; R108-F296 VanDerWaalsContact CB-CE2 3.43Å; R108-F296 HydrophobicContact CB-CZ 3.43Å; R108-F296 VanDerWaalsContact CB-CZ 3.43Å; R108-F296 HydrophobicContact CG-CZ 4.37Å; L289-F296 HydrophobicContact CB-CZ 4.4Å; L289-F296 HydrophobicContact CD1-CZ 4.43Å; F296-G298 PolarHBondContact O-N 2.63Å; F296-P336 HydrophobicContact CD1-CB 3.84Å; F296-P336 HydrophobicContact CE1-CB 4.07Å; F296-L337 HydrophobicContact CD1-CD2 4.22Å; F296-L337 HydrophobicContact CE1-CD2 3.53Å; F296-L337 HydrophobicContact CE1-CG 4.19Å; F296-L337 HydrophobicContact CE2-CD2 4.35Å; F296-L337 HydrophobicContact CZ-CD2 3.59Å |
| 297 | P | 81.8 | Confident | 88.3 | Confident | 102 Ų | 102 | 55.3 Ų | 55.3 | 66% | 0.662 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -67.9 | -19.9 | 179.4 | 27.1 | -34.4 | 0 | 0 | 0 | 113.5 | ||
| 298 | G | 81.4 | Confident | 88.2 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 168.5 | -157 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R108 F296 | R108-G298 PolarHBondContact NH2-O 3.05Å; F296-G298 PolarHBondContact O-N 2.63Å |
| 299 | P | 82.6 | Confident | 88 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -57.7 | 160.3 | 172.6 | -21.7 | 33.5 | 0 | 0 | 0 | 112.8 | T301 | P299-T301 PolarHBondContact O-N 2.82Š|
| 300 | P | 82.8 | Confident | 87.9 | Confident | 85 Ų | 85 | 56 Ų | 56 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | trans | -61.2 | 134.7 | -176.6 | -5.1 | 12.1 | 0 | 0 | 0 | 111 | R108 E304 | R108-P300 VanDerWaalsContact CZ-CD 3.43Å; P300-E304 WeakPolarHBondContact CA-OE1 3.45Å | ||
| 301 | T | 81.1 | Confident | 87.7 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | trans | -106.5 | 159.8 | 176.3 | 58.8 | 0 | 0 | 0 | 0 | 110 | P299 D303 E304 | P299-T301 PolarHBondContact O-N 2.82Å; T301-D303 PolarHBondContact O-N 3.18Å; T301-D303 VanDerWaalsContact O-N 3.14Å; T301-E304 PolarHBondContact O-N 3.47Å; T301-E304 VanDerWaalsContact O-N 3.11Å | ||
| 302 | E | 73.6 | Confident | 87.7 | Confident | 204 Ų | 204 | 56.3 Ų | 56.3 | 95% | 0.953 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.3 | 177.3 | -65 | -158.3 | 154.2 | 0 | 0 | 113.3 | E304 | E302-E304 VanDerWaalsContact C-N 3.34Š|
| 303 | D | 71.1 | Confident | 87.8 | Confident | 158 Ų | 158 | 55.6 Ų | 55.6 | 85% | 0.845 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.2 | 177.4 | -62.5 | -43.9 | 0 | 0 | 0 | 113.2 | T301 | T301-D303 PolarHBondContact O-N 3.18Å; T301-D303 VanDerWaalsContact O-N 3.14Å |
| 304 | E | 83.5 | Confident | 88 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 11% | 0.112 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -75.6 | 146.8 | 173.8 | -72.9 | -170.8 | -149.8 | 0 | 0 | 111.8 | R108 Y110 P300 T301 E302 D306 P336 | R108-E304 IonicContact CZ-OE1 3.22Å; R108-E304 IonicContact CZ-OE2 2.64Å; R108-E304 IonicContact NE-OE1 3.57Å; R108-E304 IonicContact NE-OE2 2.68Å; R108-E304 PolarHBondContact NE-OE2 3.31Å; R108-E304 IonicContact NH2-OE1 3.41Å; R108-E304 PolarHBondContact NH2-OE1 2.82Å; R108-E304 IonicContact NH2-OE2 3.78Å; Y110-E304 PolarHBondContact OH-OE2 3.48Å; P300-E304 WeakPolarHBondContact CA-OE1 3.45Å; T301-E304 PolarHBondContact O-N 3.47Å; T301-E304 VanDerWaalsContact O-N 3.11Å; E302-E304 VanDerWaalsContact C-N 3.34Å; E304-D306 PolarHBondContact O-N 3.42Å; E304-P336 HydrophobicContact CG-CG 3.94Å |
| 305 | P | 86.8 | Confident | 88.3 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | trans | -70.6 | 129.2 | 179.1 | 28.6 | -34 | 0 | 0 | 0 | 111.9 | Y110 V307 V308 | Y110-P305 WeakPolarHBondContact CD1-O 3.38Å; P305-V307 PolarHBondContact O-N 3.32Å; P305-V308 HydrophobicContact CG-CG2 4.24Å | ||
| 306 | D | 89 | Confident | 88.5 | Confident | 147 Ų | 147 | 50.4 Ų | 50.4 | 79% | 0.786 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -62.3 | -28.2 | 172.2 | -71.2 | -35.3 | 0 | 0 | 0 | 113.2 | P111 E304 | P111-D306 WeakPolarHBondContact CD-O 3.23Å; P111-D306 WeakPolarHBondContact CG-O 3.48Å; E304-D306 PolarHBondContact O-N 3.42Å |
| 307 | V | 93.9 | Very high | 88.8 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -143.6 | 134.1 | -177.5 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | P111 R113 P305 P309 | P111-V307 HydrophobicContact CB-CG1 4.31Å; P111-V307 HydrophobicContact CB-CG2 4.12Å; P111-V307 HydrophobicContact CG-CG2 4.31Å; R113-V307 HydrophobicContact CB-CG1 3.59Å; P305-V307 PolarHBondContact O-N 3.32Å; V307-P309 WeakPolarHBondContact O-CD 3.38Å |
| 308 | V | 95.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.1 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | Y110 P111 F112 R113 L287 P305 D312 L334 | Y110-V308 HydrophobicContact CD1-CG2 4.07Å; Y110-V308 HydrophobicContact CD2-CG2 4.04Å; Y110-V308 HydrophobicContact CG-CG2 3.69Å; P111-V308 PolarHBondContact O-N 2.94Å; F112-V308 CarbonylContact C-O 3.57Å; F112-V308 VanDerWaalsContact CA-O 3.26Å; F112-V308 WeakPolarHBondContact CA-O 3.18Å; F112-V308 HydrophobicContact CD2-CB 4.24Å; F112-V308 HydrophobicContact CD2-CG1 4.03Å; F112-V308 WeakPolarHBondContact CD2-O 2.89Å; F112-V308 HydrophobicContact CE2-CG1 4.2Å; R113-V308 PolarHBondContact N-O 3.04Å; L287-V308 HydrophobicContact CD2-CB 4.21Å; L287-V308 HydrophobicContact CD2-CG1 3.9Å; L287-V308 HydrophobicContact CD2-CG2 4.49Å; P305-V308 HydrophobicContact CG-CG2 4.24Å; V308-D312 HydrophobicContact CG1-CB 4.3Å; V308-L334 HydrophobicContact CG1-CD1 3.94Å; V308-L334 HydrophobicContact CG1-CD2 3.99Å; V308-L334 HydrophobicContact CG1-CG 4.23Å; V308-L334 HydrophobicContact CG2-CD2 3.86Å |
| 309 | P | 94.9 | Very high | 90 | Very high | 18 Ų | 18 | 45 Ų | 45 | 12% | 0.117 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 143.5 | 170.8 | -28.1 | 40.2 | 0 | 0 | 0 | 112.8 | V307 T311 D312 | V307-P309 WeakPolarHBondContact O-CD 3.38Å; P309-T311 PolarHBondContact O-N 2.85Å; P309-T311 VanDerWaalsContact O-N 3.17Å; P309-D312 WeakPolarHBondContact CD-OD2 3.33Å; P309-D312 VanDerWaalsContact O-CB 3.31Å; P309-D312 WeakPolarHBondContact O-CB 3.49Å; P309-D312 PolarHBondContact O-N 3.14Å |
| 310 | Q | 95 | Very high | 90.5 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -60.8 | -29.9 | -179.4 | -65.7 | -162.1 | -40.1 | 0 | 0 | 114.8 | F112 R113 A114 G265 D266 D312 L313 | F112-Q310 HydrophobicContact CD1-CG 3.74Å; F112-Q310 HydrophobicContact CD2-CG 4.24Å; F112-Q310 HydrophobicContact CE1-CB 4.1Å; F112-Q310 HydrophobicContact CE1-CG 3.37Å; F112-Q310 VanDerWaalsContact CE1-NE2 3.27Å; F112-Q310 VanDerWaalsContact CE2-CA 3.43Å; F112-Q310 HydrophobicContact CE2-CB 4.14Å; F112-Q310 HydrophobicContact CE2-CG 3.95Å; F112-Q310 HydrophobicContact CG-CG 4.16Å; F112-Q310 VanDerWaalsContact CZ-CA 3.48Å; F112-Q310 HydrophobicContact CZ-CB 3.74Å; F112-Q310 HydrophobicContact CZ-CG 3.5Å; R113-Q310 WeakPolarHBondContact O-CG 3.42Å; R113-Q310 PolarHBondContact O-N 3.37Å; A114-Q310 HydrophobicContact CB-CG 4.2Å; G265-Q310 PolarHBondContact O-NE2 2.9Å; D266-Q310 PolarHBondContact O-NE2 2.76Å; D266-Q310 PolarHBondContact O-OE1 3.31Å; Q310-D312 PolarHBondContact O-N 3.21Å; Q310-L313 WeakPolarHBondContact O-CB 3.44Å; Q310-L313 PolarHBondContact O-N 2.98Å |
| 311 | T | 94.4 | Very high | 91 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -61.7 | -24.1 | 177.2 | 42.4 | 0 | 0 | 0 | 0 | 112.5 | L132 P309 L313 P315 V330 G331 | L132-T311 HydrophobicContact CD2-CG2 4.23Å; P309-T311 PolarHBondContact O-N 2.85Å; P309-T311 VanDerWaalsContact O-N 3.17Å; T311-L313 VanDerWaalsContact C-N 3.33Å; T311-L313 PolarHBondContact O-N 3.34Å; T311-P315 WeakPolarHBondContact O-CD 3.49Å; T311-V330 HydrophobicContact CG2-CG2 4.5Å; T311-G331 WeakPolarHBondContact O-CA 3.43Å |
| 312 | D | 96.3 | Very high | 91.5 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.064 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -78.6 | -16.8 | -176.7 | -67.3 | 3.5 | 0 | 0 | 0 | 112.7 | V308 P309 Q310 P315 T316 G331 Q332 L334 R423 | V308-D312 HydrophobicContact CG1-CB 4.3Å; P309-D312 WeakPolarHBondContact CD-OD2 3.33Å; P309-D312 VanDerWaalsContact O-CB 3.31Å; P309-D312 WeakPolarHBondContact O-CB 3.49Å; P309-D312 PolarHBondContact O-N 3.14Å; Q310-D312 PolarHBondContact O-N 3.21Å; D312-P315 WeakPolarHBondContact O-CD 3.45Å; D312-T316 VanDerWaalsContact O-CB 3.31Å; D312-T316 WeakPolarHBondContact O-CB 3.39Å; D312-T316 PolarHBondContact O-N 3.39Å; D312-T316 PolarHBondContact O-OG1 3.31Å; D312-G331 WeakPolarHBondContact OD1-CA 3.44Å; D312-Q332 VanDerWaalsContact CA-O 3.27Å; D312-Q332 WeakPolarHBondContact CA-O 3.4Å; D312-Q332 WeakPolarHBondContact CB-O 3.36Å; D312-Q332 VanDerWaalsContact CG-O 3.24Å; D312-Q332 PolarHBondContact OD1-N 3.29Å; D312-L334 HydrophobicContact CB-CD1 3.92Å; D312-R423 IonicContact OD1-CZ 3.3Å; D312-R423 IonicContact OD1-NH1 3.13Å; D312-R423 PolarHBondContact OD1-NH1 3.47Å; D312-R423 IonicContact OD2-CZ 2.91Å; D312-R423 IonicContact OD2-NH1 3.83Å; D312-R423 PolarHBondContact OD2-NH1 2.91Å |
| 313 | L | 96.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 178.7 | -176.6 | 67.3 | 0 | 0 | 0 | 111.8 | F112 F127 V262 M264 Q310 T311 T316 L317 | F112-L313 HydrophobicContact CE2-CB 4.34Å; F112-L313 HydrophobicContact CZ-CB 4.13Å; F112-L313 HydrophobicContact CZ-CD2 4.15Å; F127-L313 HydrophobicContact CB-CD2 4.32Å; V262-L313 HydrophobicContact CG1-CD1 4.21Å; M264-L313 HydrophobicContact CE-CD2 3.67Å; M264-L313 HydrophobicContact SD-CD2 3.6Å; Q310-L313 WeakPolarHBondContact O-CB 3.44Å; Q310-L313 PolarHBondContact O-N 2.98Å; T311-L313 VanDerWaalsContact C-N 3.33Å; T311-L313 PolarHBondContact O-N 3.34Å; L313-T316 WeakPolarHBondContact O-CB 3.36Å; L313-T316 PolarHBondContact O-N 3.06Å; L313-L317 HydrophobicContact CD1-CD1 3.86Å; L313-L317 HydrophobicContact CD1-CG 4.03Å; L313-L317 HydrophobicContact CD2-CD1 4.41Å; L313-L317 HydrophobicContact CG-CD1 3.87Å; L313-L317 HydrophobicContact CG-CG 4.27Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.46Å |
| 314 | V | 96.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.9 | -54.9 | -174 | 171.1 | 0 | 0 | 0 | 0 | 113.7 | F127 F152 T316 L317 A318 P326 | F127-V314 VanDerWaalsContact C-CG2 3.49Å; F127-V314 WeakPolarHBondContact O-CG2 3.47Å; F152-V314 HydrophobicContact CB-CG1 4.29Å; V314-T316 PolarHBondContact O-N 3.17Å; V314-L317 PolarHBondContact O-N 2.62Å; V314-A318 VanDerWaalsContact O-CB 3.22Å; V314-A318 WeakPolarHBondContact O-CB 3.31Å; V314-A318 PolarHBondContact O-N 2.6Å; V314-P326 HydrophobicContact CG1-CB 4.49Å; V314-P326 HydrophobicContact CG1-CG 3.62Å |
| 315 | P | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -32.7 | 179.4 | 25.2 | -34.3 | 0 | 0 | 0 | 111.6 | T311 D312 L319 I325 V333 | T311-P315 WeakPolarHBondContact O-CD 3.49Å; D312-P315 WeakPolarHBondContact O-CD 3.45Å; P315-L319 WeakPolarHBondContact O-CG 3.43Å; P315-L319 PolarHBondContact O-N 3.29Å; P315-I325 HydrophobicContact CB-CD1 3.9Å; P315-I325 HydrophobicContact CB-CG1 4.15Å; P315-I325 HydrophobicContact CB-CG2 3.88Å; P315-V333 HydrophobicContact CB-CG1 4.08Å |
| 316 | T | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.018 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64 | -55.8 | 176.1 | -59 | 0 | 0 | 0 | 0 | 111.9 | D312 L313 V314 A318 L319 L320 V333 L334 L337 | D312-T316 VanDerWaalsContact O-CB 3.31Å; D312-T316 WeakPolarHBondContact O-CB 3.39Å; D312-T316 PolarHBondContact O-N 3.39Å; D312-T316 PolarHBondContact O-OG1 3.31Å; L313-T316 WeakPolarHBondContact O-CB 3.36Å; L313-T316 PolarHBondContact O-N 3.06Å; V314-T316 PolarHBondContact O-N 3.17Å; T316-A318 VanDerWaalsContact C-N 3.31Å; T316-A318 PolarHBondContact O-N 3.02Å; T316-L319 PolarHBondContact O-N 2.9Å; T316-L320 HydrophobicContact CG2-CD1 3.86Å; T316-L320 WeakPolarHBondContact O-CB 3.4Å; T316-L320 VanDerWaalsContact O-CG 3.24Å; T316-L320 WeakPolarHBondContact O-CG 3.38Å; T316-L320 PolarHBondContact O-N 2.84Å; T316-L320 VanDerWaalsContact O-N 3.08Å; T316-V333 WeakPolarHBondContact OG1-CA 3.4Å; T316-L334 HydrophobicContact CG2-CB 4.03Å; T316-L334 HydrophobicContact CG2-CD1 4.05Å; T316-L334 WeakPolarHBondContact OG1-CD1 3.32Å; T316-L334 PolarHBondContact OG1-N 3.07Å; T316-L337 HydrophobicContact CG2-CD1 3.55Å |
| 317 | L | 96.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 6.1 Ų | 6.1 | 3% | 0.031 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 179.8 | -68.1 | -176.4 | 0 | 0 | 0 | 111.9 | F152 L260 V262 L313 V314 L319 L320 L321 | F152-L317 HydrophobicContact CE1-CB 4.26Å; F152-L317 HydrophobicContact CE1-CD1 4.14Å; F152-L317 HydrophobicContact CE2-CB 4.12Å; F152-L317 HydrophobicContact CZ-CB 3.75Å; F152-L317 HydrophobicContact CZ-CD1 4.4Å; L260-L317 HydrophobicContact CD2-CD2 3.69Å; V262-L317 HydrophobicContact CG2-CD2 4.09Å; L313-L317 HydrophobicContact CD1-CD1 3.86Å; L313-L317 HydrophobicContact CD1-CG 4.03Å; L313-L317 HydrophobicContact CD2-CD1 4.41Å; L313-L317 HydrophobicContact CG-CD1 3.87Å; L313-L317 HydrophobicContact CG-CG 4.27Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.46Å; V314-L317 PolarHBondContact O-N 2.62Å; L317-L319 PolarHBondContact O-N 3.27Å; L317-L320 PolarHBondContact O-N 2.94Å; L317-L321 WeakPolarHBondContact O-CB 3.35Å; L317-L321 WeakPolarHBondContact O-CG 3.14Å; L317-L321 PolarHBondContact O-N 2.98Å |
| 318 | A | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -57.1 | -51.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | F152 V314 T316 L321 G322 T323 I325 | F152-A318 HydrophobicContact CD2-CB 4.46Å; F152-A318 HydrophobicContact CE2-CB 4.49Å; V314-A318 VanDerWaalsContact O-CB 3.22Å; V314-A318 WeakPolarHBondContact O-CB 3.31Å; V314-A318 PolarHBondContact O-N 2.6Å; T316-A318 VanDerWaalsContact C-N 3.31Å; T316-A318 PolarHBondContact O-N 3.02Å; A318-L321 PolarHBondContact O-N 2.83Å; A318-G322 PolarHBondContact O-N 2.95Å; A318-T323 CarbonylContact C-O 3.55Å; A318-T323 VanDerWaalsContact CA-OG1 3.23Å; A318-T323 WeakPolarHBondContact CA-OG1 3.42Å; A318-T323 PolarHBondContact O-N 3.01Å; A318-T323 VanDerWaalsContact O-O 3.06Å; A318-T323 PolarHBondContact O-OG1 2.85Å; A318-I325 HydrophobicContact CB-CG1 4.17Å |
| 319 | L | 93.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 4.3 Ų | 4.3 | 4% | 0.037 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -72 | -35.8 | -179.6 | -62.5 | -169 | 0 | 0 | 0 | 113 | F54 P315 T316 L317 L321 G322 I325 V333 F338 L351 A356 I359 | F54-L319 HydrophobicContact CD2-CD2 4.23Å; F54-L319 HydrophobicContact CE2-CD2 3.62Å; F54-L319 HydrophobicContact CZ-CD2 4.11Å; P315-L319 WeakPolarHBondContact O-CG 3.43Å; P315-L319 PolarHBondContact O-N 3.29Å; T316-L319 PolarHBondContact O-N 2.9Å; L317-L319 PolarHBondContact O-N 3.27Å; L319-L321 PolarHBondContact O-N 3.32Å; L319-G322 PolarHBondContact O-N 3.01Å; L319-I325 HydrophobicContact CD1-CD1 4.2Å; L319-I325 HydrophobicContact CD2-CD1 4.06Å; L319-I325 HydrophobicContact CD2-CG1 3.86Å; L319-I325 HydrophobicContact CG-CD1 4.06Å; L319-I325 HydrophobicContact CG-CG1 4.08Å; L319-V333 HydrophobicContact CD1-CG1 3.82Å; L319-F338 HydrophobicContact CB-CE1 3.99Å; L319-F338 HydrophobicContact CB-CZ 3.97Å; L319-L351 HydrophobicContact CB-CD1 4.17Å; L319-L351 HydrophobicContact CD1-CD1 4.44Å; L319-L351 HydrophobicContact CD2-CD1 4.48Å; L319-A356 HydrophobicContact CD1-CB 3.8Å; L319-I359 HydrophobicContact CD1-CB 4.46Å; L319-I359 HydrophobicContact CD2-CD1 4.5Å; L319-I359 HydrophobicContact CD2-CG2 3.92Å |
| 320 | L | 93.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 3.5 Ų | 3.5 | 1% | 0.01 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -63.3 | -30.9 | 177.1 | -75.3 | 177.5 | 0 | 0 | 0 | 113.2 | R60 F61 L260 T316 L317 L337 F338 | R60-L320 HydrophobicContact CB-CD2 4.12Å; R60-L320 HydrophobicContact CG-CD2 4.29Å; R60-L320 PolarHBondContact N-O 3.34Å; R60-L320 VanDerWaalsContact N-O 3.11Å; F61-L320 HydrophobicContact CD2-CB 4.22Å; F61-L320 HydrophobicContact CD2-CD1 4.5Å; F61-L320 HydrophobicContact CD2-CD2 4.32Å; F61-L320 HydrophobicContact CE2-CD1 4.33Å; F61-L320 HydrophobicContact CE2-CD2 4.11Å; F61-L320 PolarHBondContact N-O 3.48Å; L260-L320 HydrophobicContact CD2-CD1 4.2Å; T316-L320 HydrophobicContact CG2-CD1 3.86Å; T316-L320 WeakPolarHBondContact O-CB 3.4Å; T316-L320 VanDerWaalsContact O-CG 3.24Å; T316-L320 WeakPolarHBondContact O-CG 3.38Å; T316-L320 PolarHBondContact O-N 2.84Å; T316-L320 VanDerWaalsContact O-N 3.08Å; L317-L320 PolarHBondContact O-N 2.94Å; L320-L337 HydrophobicContact CD1-CB 4.42Å; L320-L337 HydrophobicContact CD1-CD1 4.12Å; L320-F338 HydrophobicContact CD2-CE1 4.09Å; L320-F338 HydrophobicContact CD2-CZ 4.13Å; L320-F338 HydrophobicContact CG-CE1 4.43Å; L320-F338 HydrophobicContact CG-CZ 4.08Å |
| 321 | L | 93.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 3.3 Ų | 3.3 | 3% | 0.026 | 2% | 0.019 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 2.8 | -179.4 | -65.2 | 165 | 0 | 0 | 0 | 113.6 | P59 F61 V64 F152 L156 L317 A318 L319 | P59-L321 WeakPolarHBondContact CB-O 3.39Å; F61-L321 HydrophobicContact CB-CD2 4.19Å; V64-L321 HydrophobicContact CB-CD1 4.46Å; V64-L321 HydrophobicContact CB-CD2 4.37Å; V64-L321 HydrophobicContact CG1-CD1 3.84Å; V64-L321 HydrophobicContact CG1-CD2 4.36Å; F152-L321 HydrophobicContact CE2-CD1 4.24Å; F152-L321 HydrophobicContact CZ-CD1 3.63Å; L156-L321 HydrophobicContact CD2-CD1 4.36Å; L317-L321 WeakPolarHBondContact O-CB 3.35Å; L317-L321 WeakPolarHBondContact O-CG 3.14Å; L317-L321 PolarHBondContact O-N 2.98Å; A318-L321 PolarHBondContact O-N 2.83Å; L319-L321 PolarHBondContact O-N 3.32Å |
| 322 | G | 90.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 4.1 Ų | 4.1 | 4% | 0.041 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A318 L319 | A318-G322 PolarHBondContact O-N 2.95Å; L319-G322 PolarHBondContact O-N 3.01Å |
| 323 | T | 91.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | trans | -123.8 | 152.7 | 178.3 | 64.5 | 0 | 0 | 0 | 0 | 111.2 | L156 M159 A318 | L156-T323 HydrophobicContact CD2-CG2 4.09Å; M159-T323 HydrophobicContact CB-CG2 4.18Å; M159-T323 HydrophobicContact CG-CG2 3.9Å; A318-T323 CarbonylContact C-O 3.55Å; A318-T323 VanDerWaalsContact CA-OG1 3.23Å; A318-T323 WeakPolarHBondContact CA-OG1 3.42Å; A318-T323 PolarHBondContact O-N 3.01Å; A318-T323 VanDerWaalsContact O-O 3.06Å; A318-T323 PolarHBondContact O-OG1 2.85Å | ||
| 324 | P | 93 | Very high | 94.2 | Very high | 3 Ų | 3 | 3.8 Ų | 3.8 | 2% | 0.019 | 2% | 0.021 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 140.2 | 173.7 | -22.6 | 33.7 | 0 | 0 | 0 | 112.1 | C41 P326 | C41-P324 VanDerWaalsContact SG-CG 3.52Å; P324-P326 WeakPolarHBondContact O-CD 3.19Å |
| 325 | I | 95.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 4.6 Ų | 4.6 | 3% | 0.026 | 3% | 0.025 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 125.8 | 169.3 | -58.4 | 172.3 | 0 | 0 | 0 | 107.8 | S39 P315 A318 L319 I359 N360 Q363 | S39-I325 WeakPolarHBondContact CB-O 3.07Å; S39-I325 PolarHBondContact OG-O 2.93Å; P315-I325 HydrophobicContact CB-CD1 3.9Å; P315-I325 HydrophobicContact CB-CG1 4.15Å; P315-I325 HydrophobicContact CB-CG2 3.88Å; A318-I325 HydrophobicContact CB-CG1 4.17Å; L319-I325 HydrophobicContact CD1-CD1 4.2Å; L319-I325 HydrophobicContact CD2-CD1 4.06Å; L319-I325 HydrophobicContact CD2-CG1 3.86Å; L319-I325 HydrophobicContact CG-CD1 4.06Å; L319-I325 HydrophobicContact CG-CG1 4.08Å; I325-I359 HydrophobicContact CD1-CG2 4.25Å; I325-N360 HydrophobicContact CD1-CB 3.86Å; I325-Q363 HydrophobicContact CB-CG 4.11Å; I325-Q363 HydrophobicContact CG2-CG 4.09Å |
| 326 | P | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.031 | C | C | . | . | P | Polyproline II helix | trans | -50 | 140.4 | 178.7 | -30.4 | 36.9 | 0 | 0 | 0 | 113.2 | D150 F152 Q155 V314 P324 S328 S329 Q363 | D150-P326 WeakPolarHBondContact OD2-CA 3.36Å; F152-P326 HydrophobicContact CB-CG 4.34Å; Q155-P326 HydrophobicContact CG-CG 4.22Å; V314-P326 HydrophobicContact CG1-CB 4.49Å; V314-P326 HydrophobicContact CG1-CG 3.62Å; P324-P326 WeakPolarHBondContact O-CD 3.19Å; P326-S328 VanDerWaalsContact C-N 3.3Å; P326-S328 PolarHBondContact O-N 2.72Å; P326-S329 VanDerWaalsContact O-CB 3.28Å; P326-S329 WeakPolarHBondContact O-CB 3.31Å; P326-S329 PolarHBondContact O-N 2.91Å; P326-Q363 PolarHBondContact O-NE2 3.1Å |
| 327 | F | 94.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 5.5 Ų | 5.5 | 3% | 0.031 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -40.6 | -169.5 | -175.9 | -90.5 | 0 | 0 | 0 | 113.8 | V35 R37 S39 D150 S329 Q363 R366 F367 T370 | V35-F327 HydrophobicContact CB-CE1 4.49Å; V35-F327 HydrophobicContact CG1-CD1 4.36Å; V35-F327 HydrophobicContact CG1-CE1 3.81Å; R37-F327 HydrophobicContact CB-CD1 3.6Å; R37-F327 HydrophobicContact CB-CD2 3.87Å; R37-F327 HydrophobicContact CB-CE1 3.66Å; R37-F327 HydrophobicContact CB-CE2 3.93Å; R37-F327 HydrophobicContact CB-CG 3.72Å; R37-F327 HydrophobicContact CB-CZ 3.84Å; R37-F327 HydrophobicContact CG-CE1 4.16Å; R37-F327 HydrophobicContact CG-CZ 4.14Å; R37-F327 WeakPolarHBondContact O-CB 3.27Å; S39-F327 WeakPolarHBondContact OG-CA 3.29Å; S39-F327 PolarHBondContact OG-N 3.21Å; D150-F327 HydrophobicContact CB-CB 4.01Å; D150-F327 PolarHBondContact OD2-N 3.5Å; F327-S329 VanDerWaalsContact C-N 3.32Å; F327-Q363 PolarHBondContact O-NE2 3.42Å; F327-R366 HydrophobicContact CE2-CG 4.05Å; F327-F367 AromaticContact CD1-CD2 3.99Å; F327-F367 HydrophobicContact CD1-CD2 3.99Å; F327-F367 HydrophobicContact CE1-CB 4.48Å; F327-F367 AromaticContact CE1-CD2 3.81Å; F327-F367 HydrophobicContact CE1-CD2 3.81Å; F327-F367 WeakPolarHBondContact O-CB 3.41Å; F327-T370 HydrophobicContact CE1-CG2 4.39Å; F327-T370 HydrophobicContact CZ-CG2 4.11Å |
| 328 | S | 91.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.014 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.9 | -177.4 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | S131 E149 P326 V330 | S131-S328 WeakPolarHBondContact CB-O 3.28Å; E149-S328 VanDerWaalsContact OE2-CB 3.32Å; E149-S328 WeakPolarHBondContact OE2-CB 3.13Å; E149-S328 PolarHBondContact OE2-OG 2.9Å; P326-S328 VanDerWaalsContact C-N 3.3Å; P326-S328 PolarHBondContact O-N 2.72Å; S328-V330 PolarHBondContact O-N 3.36Å |
| 329 | S | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -64.7 | 135.2 | 177.7 | -171 | 0 | 0 | 0 | 0 | 111.1 | G130 P326 F327 G331 Q363 | G130-S329 WeakPolarHBondContact O-CA 3.34Å; G130-S329 PolarHBondContact O-OG 3.47Å; P326-S329 VanDerWaalsContact O-CB 3.28Å; P326-S329 WeakPolarHBondContact O-CB 3.31Å; P326-S329 PolarHBondContact O-N 2.91Å; F327-S329 VanDerWaalsContact C-N 3.32Å; S329-G331 PolarHBondContact OG-N 2.93Å; S329-Q363 PolarHBondContact O-NE2 3.38Å; S329-Q363 PolarHBondContact O-OE1 2.77Å | ||
| 330 | V | 94.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 1% | 0.012 | 5% | 0.051 | C | C | . | . | trans | -119.5 | 11.1 | 172.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | G130 L132 T311 S328 F367 | G130-V330 PolarHBondContact O-N 3.31Å; L132-V330 HydrophobicContact CD1-CG2 4.48Å; L132-V330 HydrophobicContact CG-CG2 4.13Å; T311-V330 HydrophobicContact CG2-CG2 4.5Å; S328-V330 PolarHBondContact O-N 3.36Å; V330-F367 HydrophobicContact CG1-CD1 3.82Å; V330-F367 HydrophobicContact CG1-CE1 3.61Å | ||
| 331 | G | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -75.9 | 167.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G130 T311 D312 S329 N360 | G130-G331 PolarHBondContact O-N 3.42Å; T311-G331 WeakPolarHBondContact O-CA 3.43Å; D312-G331 WeakPolarHBondContact OD1-CA 3.44Å; S329-G331 PolarHBondContact OG-N 2.93Å; G331-N360 PolarHBondContact O-ND2 3.38Å; G331-N360 PolarHBondContact O-OD1 3.38Å | ||
| 332 | Q | 94.8 | Very high | 88 | Confident | 19 Ų | 19 | 21.3 Ų | 21.3 | 9% | 0.089 | 11% | 0.11 | C | C | . | . | trans | -112.7 | 143.3 | 173 | -176.3 | -179.4 | -52.9 | 0 | 0 | 110.7 | D312 N360 Q416 L419 T420 | D312-Q332 VanDerWaalsContact CA-O 3.27Å; D312-Q332 WeakPolarHBondContact CA-O 3.4Å; D312-Q332 WeakPolarHBondContact CB-O 3.36Å; D312-Q332 VanDerWaalsContact CG-O 3.24Å; D312-Q332 PolarHBondContact OD1-N 3.29Å; Q332-N360 WeakPolarHBondContact CA-OD1 3.38Å; Q332-Q416 PolarHBondContact OE1-O 3.1Å; Q332-L419 HydrophobicContact CB-CB 4.34Å; Q332-L419 HydrophobicContact CB-CD1 4.31Å; Q332-L419 HydrophobicContact CG-CB 4.32Å; Q332-L419 HydrophobicContact CG-CD1 3.79Å; Q332-T420 PolarHBondContact OE1-OG1 2.75Å | ||
| 333 | V | 94.5 | Very high | 86.1 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | trans | -63.6 | 138.7 | 171.6 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | P315 T316 L319 L335 F338 A356 L357 N360 | P315-V333 HydrophobicContact CB-CG1 4.08Å; T316-V333 WeakPolarHBondContact OG1-CA 3.4Å; L319-V333 HydrophobicContact CD1-CG1 3.82Å; V333-L335 HydrophobicContact CG2-CD2 3.88Å; V333-L335 PolarHBondContact O-N 3.02Å; V333-L335 VanDerWaalsContact O-N 3.08Å; V333-F338 HydrophobicContact CB-CE2 3.99Å; V333-F338 HydrophobicContact CG1-CE2 4.42Å; V333-A356 HydrophobicContact CG2-CB 4.28Å; V333-L357 HydrophobicContact CG2-CD2 3.92Å; V333-L357 HydrophobicContact CG2-CG 4.3Å; V333-N360 HydrophobicContact CG1-CB 4.19Å; V333-N360 PolarHBondContact N-OD1 3.23Å | ||
| 334 | L | 93.4 | Very high | 84.2 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | trans | -73.8 | 95.4 | 170.3 | -79 | 87.2 | 0 | 0 | 0 | 109.9 | L289 V308 D312 T316 L337 F338 | L289-L334 HydrophobicContact CD1-CD2 4.24Å; V308-L334 HydrophobicContact CG1-CD1 3.94Å; V308-L334 HydrophobicContact CG1-CD2 3.99Å; V308-L334 HydrophobicContact CG1-CG 4.23Å; V308-L334 HydrophobicContact CG2-CD2 3.86Å; D312-L334 HydrophobicContact CB-CD1 3.92Å; T316-L334 HydrophobicContact CG2-CB 4.03Å; T316-L334 HydrophobicContact CG2-CD1 4.05Å; T316-L334 WeakPolarHBondContact OG1-CD1 3.32Å; T316-L334 PolarHBondContact OG1-N 3.07Å; L334-L337 HydrophobicContact CB-CD1 3.92Å; L334-L337 HydrophobicContact CB-CG 4.38Å; L334-L337 HydrophobicContact CD2-CD1 4.47Å; L334-L337 WeakPolarHBondContact O-CB 3.13Å; L334-L337 PolarHBondContact O-N 3.19Å; L334-L337 VanDerWaalsContact O-N 3.12Å; L334-F338 WeakPolarHBondContact O-CD2 3.44Å | ||
| 335 | L | 89.8 | Confident | 81.6 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -53 | -38.4 | -174.7 | -65.7 | -169.3 | 0 | 0 | 0 | 116.7 | V333 L337 F338 Q353 L357 Q416 | V333-L335 HydrophobicContact CG2-CD2 3.88Å; V333-L335 PolarHBondContact O-N 3.02Å; V333-L335 VanDerWaalsContact O-N 3.08Å; L335-L337 PolarHBondContact O-N 3.12Å; L335-F338 PolarHBondContact O-N 3.12Å; L335-Q353 HydrophobicContact CD2-CB 4.37Å; L335-Q353 PolarHBondContact O-NE2 3.34Å; L335-Q353 VanDerWaalsContact O-NE2 3.09Å; L335-L357 HydrophobicContact CD1-CD1 4.06Å; L335-L357 HydrophobicContact CD2-CD1 3.78Å; L335-L357 HydrophobicContact CD2-CD2 3.8Å; L335-L357 HydrophobicContact CD2-CG 3.56Å; L335-Q416 HydrophobicContact CD1-CG 4.03Å |
| 336 | P | 89.6 | Confident | 79.1 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -59.2 | -18.5 | -179.7 | -26.5 | 36.6 | 0 | 0 | 0 | 114 | F296 E304 F338 | F296-P336 HydrophobicContact CD1-CB 3.84Å; F296-P336 HydrophobicContact CE1-CB 4.07Å; E304-P336 HydrophobicContact CG-CG 3.94Å; P336-F338 VanDerWaalsContact C-N 3.29Å; P336-F338 PolarHBondContact O-N 3.01Å |
| 337 | L | 90.8 | Very high | 76.3 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -86.5 | 9 | 176.4 | -60 | 172.7 | 0 | 0 | 0 | 113.7 | R60 L289 I295 F296 T316 L320 L334 L335 | R60-L337 VanDerWaalsContact NH1-C 3.26Å; R60-L337 PolarHBondContact NH1-O 3.11Å; L289-L337 HydrophobicContact CD1-CD1 3.82Å; L289-L337 HydrophobicContact CD1-CD2 4.39Å; I295-L337 HydrophobicContact CB-CD2 4.38Å; I295-L337 HydrophobicContact CD1-CD2 4.14Å; I295-L337 HydrophobicContact CG1-CD2 4.25Å; F296-L337 HydrophobicContact CD1-CD2 4.22Å; F296-L337 HydrophobicContact CE1-CD2 3.53Å; F296-L337 HydrophobicContact CE1-CG 4.19Å; F296-L337 HydrophobicContact CE2-CD2 4.35Å; F296-L337 HydrophobicContact CZ-CD2 3.59Å; T316-L337 HydrophobicContact CG2-CD1 3.55Å; L320-L337 HydrophobicContact CD1-CB 4.42Å; L320-L337 HydrophobicContact CD1-CD1 4.12Å; L334-L337 HydrophobicContact CB-CD1 3.92Å; L334-L337 HydrophobicContact CB-CG 4.38Å; L334-L337 HydrophobicContact CD2-CD1 4.47Å; L334-L337 WeakPolarHBondContact O-CB 3.13Å; L334-L337 PolarHBondContact O-N 3.19Å; L334-L337 VanDerWaalsContact O-N 3.12Å; L335-L337 PolarHBondContact O-N 3.12Å |
| 338 | F | 88.4 | Confident | 74.2 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -127.3 | 140.8 | 175.4 | -61.4 | -91.2 | 0 | 0 | 0 | 109.7 | L319 L320 V333 L334 L335 P336 L351 Q353 A356 | L319-F338 HydrophobicContact CB-CE1 3.99Å; L319-F338 HydrophobicContact CB-CZ 3.97Å; L320-F338 HydrophobicContact CD2-CE1 4.09Å; L320-F338 HydrophobicContact CD2-CZ 4.13Å; L320-F338 HydrophobicContact CG-CE1 4.43Å; L320-F338 HydrophobicContact CG-CZ 4.08Å; V333-F338 HydrophobicContact CB-CE2 3.99Å; V333-F338 HydrophobicContact CG1-CE2 4.42Å; L334-F338 WeakPolarHBondContact O-CD2 3.44Å; L335-F338 PolarHBondContact O-N 3.12Å; P336-F338 VanDerWaalsContact C-N 3.29Å; P336-F338 PolarHBondContact O-N 3.01Å; F338-L351 HydrophobicContact CD1-CB 4.35Å; F338-Q353 HydrophobicContact CB-CB 4.49Å; F338-Q353 HydrophobicContact CB-CG 3.8Å; F338-Q353 WeakPolarHBondContact O-CG 3.46Å; F338-Q353 PolarHBondContact O-NE2 2.74Å; F338-Q353 VanDerWaalsContact O-NE2 3.12Å; F338-A356 HydrophobicContact CD1-CB 3.8Å; F338-A356 HydrophobicContact CD2-CB 4.29Å; F338-A356 HydrophobicContact CE1-CB 3.9Å; F338-A356 HydrophobicContact CE2-CB 4.38Å; F338-A356 HydrophobicContact CG-CB 4.01Å; F338-A356 HydrophobicContact CZ-CB 4.2Å |
| 339 | P | 81.8 | Confident | 72.9 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | trans | -67.7 | 146.1 | -178.6 | 25.5 | -34 | 0 | 0 | 0 | 112.7 | P350 L351 S352 Q353 | P339-P350 HydrophobicContact CG-CB 4.24Å; P339-P350 HydrophobicContact CG-CG 3.98Å; P339-L351 VanDerWaalsContact CD-O 3.31Å; P339-L351 WeakPolarHBondContact CD-O 3.47Å; P339-S352 WeakPolarHBondContact O-CA 3.21Å; P339-Q353 PolarHBondContact O-N 3.23Å | ||
| 340 | P | 74.1 | Confident | 71.7 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 31% | 0.312 | 33% | 0.332 | S | S | . | . | trans | -62.1 | 153.5 | 168.6 | -17.7 | 30.1 | 0 | 0 | 0 | 111.7 | E342 Q343 | P340-E342 PolarHBondContact O-N 2.85Å; P340-E342 VanDerWaalsContact O-N 3.15Å; P340-Q343 PolarHBondContact O-N 3.2Å | ||
| 341 | H | 62.8 | Low | 71.1 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 39% | 0.394 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -57.3 | -33.7 | -174.3 | -165 | 70.3 | 0 | 0 | 0 | 113.7 | Q343 T344 | H341-Q343 PolarHBondContact O-N 2.9Å; H341-T344 PolarHBondContact O-OG1 2.88Å |
| 342 | E | 52.8 | Low | 70.6 | Confident | 187 Ų | 187 | 61.7 Ų | 61.7 | 87% | 0.874 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -76.1 | -12.7 | -172.9 | -63.5 | -177 | 169.4 | 0 | 0 | 115.1 | P340 | P340-E342 PolarHBondContact O-N 2.85Å; P340-E342 VanDerWaalsContact O-N 3.15Å |
| 343 | Q | 50.5 | Low | 70.2 | Confident | 146 Ų | 146 | 63.3 Ų | 63.3 | 68% | 0.682 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -97.4 | 10.6 | -176.1 | -76.1 | 178.2 | -7.4 | 0 | 0 | 114.8 | P340 H341 Q345 | P340-Q343 PolarHBondContact O-N 3.2Å; H341-Q343 PolarHBondContact O-N 2.9Å; Q343-Q345 PolarHBondContact O-N 2.84Å |
| 344 | T | 51.2 | Low | 69.8 | Low | 22 Ų | 22 | 64.1 Ų | 64.1 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | trans | -98.4 | 45.7 | -169.5 | 50.5 | 0 | 0 | 0 | 0 | 115.2 | H341 R349 | H341-T344 PolarHBondContact O-OG1 2.88Å; T344-R349 HydrophobicContact CG2-CG 4.11Å; T344-R349 PolarHBondContact OG1-NE 2.73Å; T344-R349 PolarHBondContact OG1-NH2 2.9Å | ||
| 345 | Q | 39.4 | Very low | 69.4 | Low | 196 Ų | 196 | 66.2 Ų | 66.2 | 92% | 0.916 | 36% | 0.361 | S | S | * | . | trans | -98.9 | 98.1 | 171 | -67.9 | -168.7 | 5.3 | 0 | 0 | 111.2 | Q343 | Q343-Q345 PolarHBondContact O-N 2.84Š| ||
| 346 | G | 42.6 | Very low | 69.4 | Low | 57 Ų | 57 | 65.3 Ų | 65.3 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 179.7 | 163.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V348 | G346-V348 PolarHBondContact O-N 3.2Š|
| 347 | A | 37.2 | Very low | 69.5 | Low | 116 Ų | 116 | 64.4 Ų | 64.4 | 96% | 0.959 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -70.7 | -11.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 348 | V | 49.6 | Very low | 69.5 | Low | 100 Ų | 100 | 65.1 Ų | 65.1 | 61% | 0.606 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -127.1 | 111.4 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | P58 G346 P350 | P58-V348 HydrophobicContact CB-CG1 4.49Å; P58-V348 HydrophobicContact CG-CG1 3.41Å; P58-V348 VanDerWaalsContact CG-CG1 3.41Å; G346-V348 PolarHBondContact O-N 3.2Å; V348-P350 VanDerWaalsContact O-CD 3.24Å; V348-P350 WeakPolarHBondContact O-CD 3.32Å |
| 349 | R | 63.7 | Low | 69.6 | Low | 143 Ų | 143 | 65.3 Ų | 65.3 | 54% | 0.54 | 35% | 0.354 | S | S | . | . | trans | -103.7 | 103 | -170.7 | -158.3 | 176.7 | -174.3 | -179.9 | 2.6 | 111.1 | T344 | T344-R349 HydrophobicContact CG2-CG 4.11Å; T344-R349 PolarHBondContact OG1-NE 2.73Å; T344-R349 PolarHBondContact OG1-NH2 2.9Å | ||
| 350 | P | 70.1 | Confident | 70.2 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 149.9 | 168.9 | 24.1 | -32 | 0 | 0 | 0 | 110.9 | P339 V348 S352 | P339-P350 HydrophobicContact CG-CB 4.24Å; P339-P350 HydrophobicContact CG-CG 3.98Å; V348-P350 VanDerWaalsContact O-CD 3.24Å; V348-P350 WeakPolarHBondContact O-CD 3.32Å; P350-S352 PolarHBondContact O-N 3.38Å |
| 351 | L | 81.1 | Confident | 71.2 | Confident | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 124.4 | 175.8 | -73.6 | 170.8 | 0 | 0 | 0 | 110.4 | F54 L319 F338 P339 E355 I359 | F54-L351 HydrophobicContact CB-CD1 4.13Å; F54-L351 HydrophobicContact CB-CD2 3.94Å; F54-L351 HydrophobicContact CB-CG 4.26Å; F54-L351 HydrophobicContact CD2-CD1 3.99Å; F54-L351 HydrophobicContact CG-CD1 4.25Å; L319-L351 HydrophobicContact CB-CD1 4.17Å; L319-L351 HydrophobicContact CD1-CD1 4.44Å; L319-L351 HydrophobicContact CD2-CD1 4.48Å; F338-L351 HydrophobicContact CD1-CB 4.35Å; P339-L351 VanDerWaalsContact CD-O 3.31Å; P339-L351 WeakPolarHBondContact CD-O 3.47Å; L351-E355 HydrophobicContact CD2-CB 4.02Å; L351-I359 HydrophobicContact CD1-CD1 4.08Å; L351-I359 HydrophobicContact CD2-CD1 3.88Å |
| 352 | S | 84.3 | Confident | 72.6 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 159.8 | 171.6 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | P339 P350 L354 E355 A356 | P339-S352 WeakPolarHBondContact O-CA 3.21Å; P350-S352 PolarHBondContact O-N 3.38Å; S352-L354 PolarHBondContact O-N 2.9Å; S352-E355 VanDerWaalsContact CB-OE2 3.29Å; S352-E355 WeakPolarHBondContact CB-OE2 3.02Å; S352-E355 PolarHBondContact N-OE2 3.42Å; S352-E355 PolarHBondContact O-N 3.11Å; S352-E355 VanDerWaalsContact O-N 3.14Å; S352-E355 VanDerWaalsContact OG-CD 3.26Å; S352-E355 VanDerWaalsContact OG-CG 3.24Å; S352-E355 WeakPolarHBondContact OG-CG 3.19Å; S352-E355 PolarHBondContact OG-N 2.84Å; S352-E355 PolarHBondContact OG-OE2 3.13Å; S352-A356 PolarHBondContact O-N 2.96Å |
| 353 | Q | 86.9 | Confident | 74.6 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 24% | 0.243 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.8 | -42.3 | 176.4 | -74.7 | -179.9 | -10.4 | 0 | 0 | 113.2 | L335 F338 P339 L357 | L335-Q353 HydrophobicContact CD2-CB 4.37Å; L335-Q353 PolarHBondContact O-NE2 3.34Å; L335-Q353 VanDerWaalsContact O-NE2 3.09Å; F338-Q353 HydrophobicContact CB-CB 4.49Å; F338-Q353 HydrophobicContact CB-CG 3.8Å; F338-Q353 WeakPolarHBondContact O-CG 3.46Å; F338-Q353 PolarHBondContact O-NE2 2.74Å; F338-Q353 VanDerWaalsContact O-NE2 3.12Å; P339-Q353 PolarHBondContact O-N 3.23Å; Q353-L357 WeakPolarHBondContact O-CG 3.24Å; Q353-L357 PolarHBondContact O-N 3.44Å |
| 354 | L | 85.6 | Confident | 76.7 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.9 | -35.8 | -177.6 | -170.7 | 75.4 | 0 | 0 | 0 | 112.2 | S352 L357 W358 Y397 P407 L411 A412 L415 | S352-L354 PolarHBondContact O-N 2.9Å; L354-L357 PolarHBondContact O-N 3Å; L354-W358 WeakPolarHBondContact O-CB 3.16Å; L354-W358 PolarHBondContact O-N 3.41Å; L354-Y397 HydrophobicContact CD2-CD2 4.09Å; L354-Y397 HydrophobicContact CD2-CE2 3.77Å; L354-Y397 HydrophobicContact CG-CD2 4.25Å; L354-Y397 HydrophobicContact CG-CE2 3.84Å; L354-P407 HydrophobicContact CD2-CB 3.37Å; L354-P407 HydrophobicContact CD2-CG 3.04Å; L354-L411 HydrophobicContact CD1-CB 4.46Å; L354-L411 HydrophobicContact CD1-CD2 4.35Å; L354-L411 HydrophobicContact CD1-CG 4.16Å; L354-L411 HydrophobicContact CD2-CD2 4.42Å; L354-A412 HydrophobicContact CD1-CB 4Å; L354-L415 HydrophobicContact CD1-CD1 3.84Å |
| 355 | E | 86.3 | Confident | 78.7 | Confident | 56 Ų | 56 | 44.8 Ų | 44.8 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 174.7 | -68.1 | 165.4 | 140.2 | 0 | 0 | 110 | L351 S352 L357 W358 I359 | L351-E355 HydrophobicContact CD2-CB 4.02Å; S352-E355 VanDerWaalsContact CB-OE2 3.29Å; S352-E355 WeakPolarHBondContact CB-OE2 3.02Å; S352-E355 PolarHBondContact N-OE2 3.42Å; S352-E355 PolarHBondContact O-N 3.11Å; S352-E355 VanDerWaalsContact O-N 3.14Å; S352-E355 VanDerWaalsContact OG-CD 3.26Å; S352-E355 VanDerWaalsContact OG-CG 3.24Å; S352-E355 WeakPolarHBondContact OG-CG 3.19Å; S352-E355 PolarHBondContact OG-N 2.84Å; S352-E355 PolarHBondContact OG-OE2 3.13Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 3.08Å; E355-W358 PolarHBondContact O-N 2.87Å; E355-I359 WeakPolarHBondContact O-CG1 3.44Å; E355-I359 PolarHBondContact O-N 3.01Å |
| 356 | A | 89.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.6 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L319 V333 F338 S352 I359 N360 | L319-A356 HydrophobicContact CD1-CB 3.8Å; V333-A356 HydrophobicContact CG2-CB 4.28Å; F338-A356 HydrophobicContact CD1-CB 3.8Å; F338-A356 HydrophobicContact CD2-CB 4.29Å; F338-A356 HydrophobicContact CE1-CB 3.9Å; F338-A356 HydrophobicContact CE2-CB 4.38Å; F338-A356 HydrophobicContact CG-CB 4.01Å; F338-A356 HydrophobicContact CZ-CB 4.2Å; S352-A356 PolarHBondContact O-N 2.96Å; A356-I359 PolarHBondContact O-N 3.19Å; A356-N360 WeakPolarHBondContact O-CB 3.35Å; A356-N360 PolarHBondContact O-N 2.98Å |
| 357 | L | 91.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 174.5 | -78.3 | 170.3 | 0 | 0 | 0 | 112.6 | V333 L335 Q353 L354 E355 I359 N360 T361 A412 L415 Q416 L419 | V333-L357 HydrophobicContact CG2-CD2 3.92Å; V333-L357 HydrophobicContact CG2-CG 4.3Å; L335-L357 HydrophobicContact CD1-CD1 4.06Å; L335-L357 HydrophobicContact CD2-CD1 3.78Å; L335-L357 HydrophobicContact CD2-CD2 3.8Å; L335-L357 HydrophobicContact CD2-CG 3.56Å; Q353-L357 WeakPolarHBondContact O-CG 3.24Å; Q353-L357 PolarHBondContact O-N 3.44Å; L354-L357 PolarHBondContact O-N 3Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 3.08Å; L357-I359 PolarHBondContact O-N 2.98Å; L357-N360 PolarHBondContact O-N 3.42Å; L357-T361 WeakPolarHBondContact O-CB 3.26Å; L357-T361 PolarHBondContact O-N 3.11Å; L357-T361 PolarHBondContact O-OG1 3.15Å; L357-A412 HydrophobicContact CD1-CB 3.85Å; L357-L415 HydrophobicContact CB-CB 4.24Å; L357-L415 HydrophobicContact CB-CD1 3.93Å; L357-L415 HydrophobicContact CD1-CB 4.43Å; L357-Q416 HydrophobicContact CD1-CG 4.14Å; L357-Q416 HydrophobicContact CD2-CG 3.68Å; L357-L419 HydrophobicContact CD2-CD1 4.07Å |
| 358 | W | 90.4 | Very high | 86.2 | Confident | 18 Ų | 18 | 30.2 Ų | 30.2 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 179.8 | 172.1 | -113.8 | 0 | 0 | 0 | 112 | L354 E355 N360 T361 K362 S394 Y397 L398 | L354-W358 WeakPolarHBondContact O-CB 3.16Å; L354-W358 PolarHBondContact O-N 3.41Å; E355-W358 PolarHBondContact O-N 2.87Å; W358-N360 VanDerWaalsContact C-N 3.32Å; W358-N360 PolarHBondContact O-N 3.35Å; W358-T361 PolarHBondContact O-N 3.08Å; W358-K362 WeakPolarHBondContact O-CB 3.29Å; W358-K362 PolarHBondContact O-N 2.88Å; W358-S394 WeakPolarHBondContact CH2-OG 3.43Å; W358-Y397 HydrophobicContact CB-CD2 4.26Å; W358-Y397 HydrophobicContact CB-CE1 4.04Å; W358-Y397 HydrophobicContact CB-CE2 3.76Å; W358-Y397 AromaticContact CD1-CE1 3.37Å; W358-Y397 AromaticContact CD1-CZ 3.65Å; W358-Y397 AromaticContact CD2-CD1 3.4Å; W358-Y397 HydrophobicContact CD2-CD1 3.4Å; W358-Y397 HydrophobicContact CD2-CD2 4.39Å; W358-Y397 AromaticContact CD2-CE1 3.5Å; W358-Y397 HydrophobicContact CD2-CE1 3.5Å; W358-Y397 VanDerWaalsContact CD2-CE1 3.5Å; W358-Y397 HydrophobicContact CD2-CE2 4.47Å; W358-Y397 AromaticContact CD2-CG 3.88Å; W358-Y397 HydrophobicContact CD2-CG 3.88Å; W358-Y397 AromaticContact CE2-CD1 3.59Å; W358-Y397 AromaticContact CE2-CE1 3.62Å; W358-Y397 AromaticContact CE3-CD1 3.7Å; W358-Y397 HydrophobicContact CE3-CD1 3.7Å; W358-Y397 HydrophobicContact CE3-CD2 4.37Å; W358-Y397 HydrophobicContact CE3-CE1 4.25Å; W358-Y397 AromaticContact CE3-CG 3.77Å; W358-Y397 HydrophobicContact CE3-CG 3.77Å; W358-Y397 AromaticContact CG-CD1 3.77Å; W358-Y397 HydrophobicContact CG-CD1 3.77Å; W358-Y397 HydrophobicContact CG-CD2 4.35Å; W358-Y397 AromaticContact CG-CE1 3.35Å; W358-Y397 HydrophobicContact CG-CE1 3.35Å; W358-Y397 AromaticContact CG-CE2 3.99Å; W358-Y397 HydrophobicContact CG-CE2 3.99Å; W358-Y397 HydrophobicContact CG-CG 4.25Å; W358-Y397 AromaticContact CG-CZ 3.46Å; W358-Y397 VanDerWaalsContact CG-CZ 3.46Å; W358-Y397 HydrophobicContact CH2-CD1 4.3Å; W358-Y397 HydrophobicContact CZ2-CD1 4.04Å; W358-Y397 HydrophobicContact CZ2-CE1 4.43Å; W358-Y397 HydrophobicContact CZ3-CD1 4.15Å; W358-Y397 HydrophobicContact CZ3-CG 4.28Å; W358-Y397 AromaticContact NE1-CD1 3.99Å; W358-Y397 AromaticContact NE1-CE1 3.51Å; W358-L398 HydrophobicContact CZ2-CD2 4.23Å; W358-L398 HydrophobicContact CZ2-CG 4.47Å |
| 359 | I | 90.8 | Very high | 88.2 | Confident | 13 Ų | 13 | 28.4 Ų | 28.4 | 7% | 0.067 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 177.1 | -61.3 | 171.9 | 0 | 0 | 0 | 110 | V44 F54 L319 I325 L351 E355 A356 L357 Q363 | V44-I359 HydrophobicContact CG1-CB 4.18Å; V44-I359 HydrophobicContact CG1-CD1 3.86Å; V44-I359 HydrophobicContact CG1-CG1 3.51Å; V44-I359 HydrophobicContact CG1-CG2 3.77Å; V44-I359 HydrophobicContact CG2-CG2 3.89Å; F54-I359 HydrophobicContact CD1-CD1 4.2Å; F54-I359 HydrophobicContact CG-CD1 4.33Å; L319-I359 HydrophobicContact CD1-CB 4.46Å; L319-I359 HydrophobicContact CD2-CD1 4.5Å; L319-I359 HydrophobicContact CD2-CG2 3.92Å; I325-I359 HydrophobicContact CD1-CG2 4.25Å; L351-I359 HydrophobicContact CD1-CD1 4.08Å; L351-I359 HydrophobicContact CD2-CD1 3.88Å; E355-I359 WeakPolarHBondContact O-CG1 3.44Å; E355-I359 PolarHBondContact O-N 3.01Å; A356-I359 PolarHBondContact O-N 3.19Å; L357-I359 PolarHBondContact O-N 2.98Å; I359-Q363 PolarHBondContact O-N 3.32Å |
| 360 | N | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 179.2 | -173.6 | -174.6 | 0 | 0 | 0 | 112.3 | I325 G331 Q332 V333 A356 L357 W358 K362 Q363 V364 L419 | I325-N360 HydrophobicContact CD1-CB 3.86Å; G331-N360 PolarHBondContact O-ND2 3.38Å; G331-N360 PolarHBondContact O-OD1 3.38Å; Q332-N360 WeakPolarHBondContact CA-OD1 3.38Å; V333-N360 HydrophobicContact CG1-CB 4.19Å; V333-N360 PolarHBondContact N-OD1 3.23Å; A356-N360 WeakPolarHBondContact O-CB 3.35Å; A356-N360 PolarHBondContact O-N 2.98Å; L357-N360 PolarHBondContact O-N 3.42Å; W358-N360 VanDerWaalsContact C-N 3.32Å; W358-N360 PolarHBondContact O-N 3.35Å; N360-K362 PolarHBondContact O-N 3.37Å; N360-Q363 PolarHBondContact O-N 2.96Å; N360-V364 WeakPolarHBondContact O-CG2 3.36Å; N360-V364 PolarHBondContact O-N 2.63Å; N360-L419 HydrophobicContact CB-CD1 4.32Å |
| 361 | T | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 177.7 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | L357 W358 V364 N365 F390 L415 Y418 | L357-T361 WeakPolarHBondContact O-CB 3.26Å; L357-T361 PolarHBondContact O-N 3.11Å; L357-T361 PolarHBondContact O-OG1 3.15Å; W358-T361 PolarHBondContact O-N 3.08Å; T361-V364 PolarHBondContact O-N 3.02Å; T361-N365 WeakPolarHBondContact O-CB 3.47Å; T361-N365 PolarHBondContact O-N 3.49Å; T361-F390 HydrophobicContact CG2-CD2 3.78Å; T361-F390 HydrophobicContact CG2-CE2 3.86Å; T361-L415 HydrophobicContact CG2-CD2 3.77Å; T361-Y418 HydrophobicContact CG2-CD1 3.55Å; T361-Y418 HydrophobicContact CG2-CE1 3.69Å |
| 362 | K | 92.3 | Very high | 90.6 | Very high | 57 Ų | 57 | 20.3 Ų | 20.3 | 25% | 0.248 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 176.8 | -168.2 | -173.3 | -175.9 | -164.2 | 0 | 111.6 | D43 V44 L45 W358 N360 N365 R366 | D43-K362 WeakPolarHBondContact O-CE 3.41Å; D43-K362 PolarHBondContact O-NZ 3.49Å; V44-K362 PolarHBondContact O-NZ 3.25Å; L45-K362 PolarHBondContact O-NZ 3.44Å; W358-K362 WeakPolarHBondContact O-CB 3.29Å; W358-K362 PolarHBondContact O-N 2.88Å; N360-K362 PolarHBondContact O-N 3.37Å; K362-N365 PolarHBondContact O-N 3.46Å; K362-R366 WeakPolarHBondContact O-CB 3.27Å; K362-R366 PolarHBondContact O-N 3.26Å |
| 363 | Q | 94.2 | Very high | 90.7 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 176.7 | 173.7 | -83.9 | -42.2 | 0 | 0 | 111.4 | I325 P326 F327 S329 I359 N360 N365 R366 F367 | I325-Q363 HydrophobicContact CB-CG 4.11Å; I325-Q363 HydrophobicContact CG2-CG 4.09Å; P326-Q363 PolarHBondContact O-NE2 3.1Å; F327-Q363 PolarHBondContact O-NE2 3.42Å; S329-Q363 PolarHBondContact O-NE2 3.38Å; S329-Q363 PolarHBondContact O-OE1 2.77Å; I359-Q363 PolarHBondContact O-N 3.32Å; N360-Q363 PolarHBondContact O-N 2.96Å; Q363-N365 PolarHBondContact O-N 2.84Å; Q363-R366 PolarHBondContact O-N 2.55Å; Q363-F367 PolarHBondContact O-N 3.34Å |
| 364 | V | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 179.7 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | N360 T361 F367 L368 L419 V422 | N360-V364 WeakPolarHBondContact O-CG2 3.36Å; N360-V364 PolarHBondContact O-N 2.63Å; T361-V364 PolarHBondContact O-N 3.02Å; V364-F367 WeakPolarHBondContact O-CB 3.19Å; V364-F367 PolarHBondContact O-N 3.38Å; V364-L368 WeakPolarHBondContact O-CB 3.46Å; V364-L368 PolarHBondContact O-N 2.85Å; V364-L419 HydrophobicContact CB-CD2 3.79Å; V364-L419 HydrophobicContact CG1-CD2 4.08Å; V364-L419 HydrophobicContact CG2-CD2 3.61Å; V364-V422 HydrophobicContact CG1-CB 4.05Å; V364-V422 HydrophobicContact CG1-CG1 3.59Å; V364-V422 HydrophobicContact CG1-CG2 4.18Å |
| 365 | N | 93.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.053 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 176.2 | -175 | 76 | 0 | 0 | 0 | 112 | T361 K362 Q363 F367 L368 D369 F390 Y418 | T361-N365 WeakPolarHBondContact O-CB 3.47Å; T361-N365 PolarHBondContact O-N 3.49Å; K362-N365 PolarHBondContact O-N 3.46Å; Q363-N365 PolarHBondContact O-N 2.84Å; N365-F367 VanDerWaalsContact C-N 3.28Å; N365-F367 PolarHBondContact O-N 2.72Å; N365-L368 WeakPolarHBondContact O-CB 3.28Å; N365-L368 PolarHBondContact O-N 2.89Å; N365-L368 VanDerWaalsContact O-N 3.12Å; N365-D369 PolarHBondContact ND2-OD2 3.22Å; N365-D369 PolarHBondContact O-N 2.78Å; N365-F390 HydrophobicContact CB-CD1 4.12Å; N365-F390 HydrophobicContact CB-CD2 3.55Å; N365-F390 HydrophobicContact CB-CE1 4.08Å; N365-F390 HydrophobicContact CB-CE2 3.51Å; N365-F390 HydrophobicContact CB-CG 3.86Å; N365-F390 HydrophobicContact CB-CZ 3.79Å; N365-F390 VanDerWaalsContact CG-CG 3.42Å; N365-F390 WeakPolarHBondContact ND2-CD1 3.49Å; N365-F390 VanDerWaalsContact ND2-CE1 3.27Å; N365-F390 WeakPolarHBondContact ND2-CE1 3.33Å; N365-F390 WeakPolarHBondContact OD1-CD1 3.41Å; N365-F390 WeakPolarHBondContact OD1-CG 3.4Å; N365-Y418 PolarHBondContact OD1-OH 2.99Å; N365-Y418 VanDerWaalsContact OD1-OH 3.11Å |
| 366 | R | 93.3 | Very high | 89.7 | Confident | 58 Ų | 58 | 30.1 Ų | 30.1 | 22% | 0.219 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 177.1 | -177.1 | -172.4 | 61 | 170.9 | -4.8 | 112 | S39 D43 F327 K362 Q363 T370 | S39-R366 PolarHBondContact OG-NH2 2.84Å; D43-R366 IonicContact OD1-NH1 3.57Å; D43-R366 PolarHBondContact OD1-NH1 2.61Å; D43-R366 VanDerWaalsContact OD1-NH1 3.13Å; D43-R366 IonicContact OD2-CZ 3.86Å; D43-R366 IonicContact OD2-NH1 3.09Å; D43-R366 PolarHBondContact OD2-NH1 3.01Å; F327-R366 HydrophobicContact CE2-CG 4.05Å; K362-R366 WeakPolarHBondContact O-CB 3.27Å; K362-R366 PolarHBondContact O-N 3.26Å; Q363-R366 PolarHBondContact O-N 2.55Å; R366-T370 WeakPolarHBondContact O-CB 3.48Å; R366-T370 PolarHBondContact O-N 3.06Å; R366-T370 VanDerWaalsContact O-N 3.11Å; R366-T370 PolarHBondContact O-OG1 3.42Å |
| 367 | F | 92.1 | Very high | 89 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.8 | -50.8 | 171.5 | 172.1 | -111.6 | 0 | 0 | 0 | 111.3 | V35 F327 V330 Q363 V364 N365 D369 T370 Y371 W430 | V35-F367 HydrophobicContact CG2-CE2 4.26Å; F327-F367 AromaticContact CD1-CD2 3.99Å; F327-F367 HydrophobicContact CD1-CD2 3.99Å; F327-F367 HydrophobicContact CE1-CB 4.48Å; F327-F367 AromaticContact CE1-CD2 3.81Å; F327-F367 HydrophobicContact CE1-CD2 3.81Å; F327-F367 WeakPolarHBondContact O-CB 3.41Å; V330-F367 HydrophobicContact CG1-CD1 3.82Å; V330-F367 HydrophobicContact CG1-CE1 3.61Å; Q363-F367 PolarHBondContact O-N 3.34Å; V364-F367 WeakPolarHBondContact O-CB 3.19Å; V364-F367 PolarHBondContact O-N 3.38Å; N365-F367 VanDerWaalsContact C-N 3.28Å; N365-F367 PolarHBondContact O-N 2.72Å; F367-D369 PolarHBondContact O-N 3.29Å; F367-T370 PolarHBondContact O-N 3.49Å; F367-Y371 HydrophobicContact CE2-CD2 4.19Å; F367-Y371 AromaticContact CZ-CD2 3.9Å; F367-Y371 HydrophobicContact CZ-CD2 3.9Å; F367-Y371 HydrophobicContact CZ-CG 4.38Å; F367-Y371 WeakPolarHBondContact O-CB 3.38Å; F367-Y371 PolarHBondContact O-N 3.35Å; F367-W430 HydrophobicContact CE1-CH2 4.07Å; F367-W430 HydrophobicContact CE1-CZ3 4.43Å; F367-W430 HydrophobicContact CZ-CH2 4.18Å |
| 368 | L | 91.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | -179.3 | -174.4 | 65.4 | 0 | 0 | 0 | 112.5 | V364 N365 S372 I378 L383 L386 V422 | V364-L368 WeakPolarHBondContact O-CB 3.46Å; V364-L368 PolarHBondContact O-N 2.85Å; N365-L368 WeakPolarHBondContact O-CB 3.28Å; N365-L368 PolarHBondContact O-N 2.89Å; N365-L368 VanDerWaalsContact O-N 3.12Å; L368-S372 VanDerWaalsContact O-CB 3.29Å; L368-S372 WeakPolarHBondContact O-CB 3.32Å; L368-S372 PolarHBondContact O-N 3.41Å; L368-S372 PolarHBondContact O-OG 2.9Å; L368-I378 HydrophobicContact CD1-CD1 3.56Å; L368-L383 HydrophobicContact CD1-CD1 3.99Å; L368-L383 HydrophobicContact CD2-CD1 4.12Å; L368-L383 HydrophobicContact CG-CD1 3.87Å; L368-L386 HydrophobicContact CD2-CB 4Å; L368-L386 HydrophobicContact CD2-CD1 3.97Å; L368-V422 HydrophobicContact CD2-CG2 4.34Å |
| 369 | D | 90.3 | Very high | 88.2 | Confident | 62 Ų | 62 | 35.7 Ų | 35.7 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.4 | -82 | -34.3 | 0 | 0 | 0 | 111.8 | N365 F367 S372 S373 K387 | N365-D369 PolarHBondContact ND2-OD2 3.22Å; N365-D369 PolarHBondContact O-N 2.78Å; F367-D369 PolarHBondContact O-N 3.29Å; D369-S372 PolarHBondContact O-OG 3.1Å; D369-S372 VanDerWaalsContact O-OG 3.11Å; D369-S373 PolarHBondContact O-N 3.3Å; D369-K387 WeakPolarHBondContact OD1-CE 3.31Å; D369-K387 IonicContact OD1-NZ 3.85Å; D369-K387 PolarHBondContact OD1-NZ 2.97Å |
| 370 | T | 90.1 | Very high | 87.8 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.7 | -46.7 | 178 | -55.2 | 0 | 0 | 0 | 0 | 111 | V35 F327 R366 F367 S372 S373 L374 | V35-T370 HydrophobicContact CG1-CG2 4.09Å; F327-T370 HydrophobicContact CE1-CG2 4.39Å; F327-T370 HydrophobicContact CZ-CG2 4.11Å; R366-T370 WeakPolarHBondContact O-CB 3.48Å; R366-T370 PolarHBondContact O-N 3.06Å; R366-T370 VanDerWaalsContact O-N 3.11Å; R366-T370 PolarHBondContact O-OG1 3.42Å; F367-T370 PolarHBondContact O-N 3.49Å; T370-S372 PolarHBondContact O-N 2.94Å; T370-S373 PolarHBondContact O-N 2.7Å; T370-S373 PolarHBondContact O-OG 3.31Å; T370-L374 HydrophobicContact CG2-CD1 4.31Å; T370-L374 PolarHBondContact O-N 2.9Å |
| 371 | Y | 87.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 179.9 | -171.4 | -82.6 | 0 | 0 | 0 | 111.3 | R32 L33 V35 F367 S373 L374 S375 D377 I378 W430 | R32-Y371 HydrophobicContact CG-CE2 4.01Å; L33-Y371 HydrophobicContact CB-CE2 4.14Å; V35-Y371 HydrophobicContact CG2-CD2 3.92Å; F367-Y371 HydrophobicContact CE2-CD2 4.19Å; F367-Y371 AromaticContact CZ-CD2 3.9Å; F367-Y371 HydrophobicContact CZ-CD2 3.9Å; F367-Y371 HydrophobicContact CZ-CG 4.38Å; F367-Y371 WeakPolarHBondContact O-CB 3.38Å; F367-Y371 PolarHBondContact O-N 3.35Å; Y371-S373 PolarHBondContact O-N 3.33Å; Y371-L374 PolarHBondContact O-N 2.88Å; Y371-S375 PolarHBondContact O-N 3.28Å; Y371-D377 PolarHBondContact OH-OD2 2.74Å; Y371-I378 HydrophobicContact CD1-CD1 4.16Å; Y371-I378 HydrophobicContact CE1-CD1 4.49Å; Y371-W430 HydrophobicContact CD1-CZ2 4.05Å; Y371-W430 HydrophobicContact CD2-CH2 4.42Å; Y371-W430 HydrophobicContact CD2-CZ2 4.33Å; Y371-W430 HydrophobicContact CE1-CH2 4.42Å; Y371-W430 AromaticContact CE1-CZ2 3.53Å; Y371-W430 HydrophobicContact CE1-CZ2 3.53Å; Y371-W430 HydrophobicContact CE2-CH2 4.21Å; Y371-W430 AromaticContact CE2-CZ2 3.82Å; Y371-W430 HydrophobicContact CE2-CZ2 3.82Å; Y371-W430 HydrophobicContact CG-CZ2 4.45Å; Y371-W430 AromaticContact CZ-CE2 3.95Å; Y371-W430 AromaticContact CZ-CZ2 3.41Å; Y371-W430 VanDerWaalsContact CZ-CZ2 3.41Å; Y371-W430 PolarHBondContact OH-NE1 3.31Å |
| 372 | S | 88.3 | Confident | 87.1 | Confident | 28 Ų | 28 | 48.3 Ų | 48.3 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -18.9 | 179.8 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | L368 D369 T370 L383 | L368-S372 VanDerWaalsContact O-CB 3.29Å; L368-S372 WeakPolarHBondContact O-CB 3.32Å; L368-S372 PolarHBondContact O-N 3.41Å; L368-S372 PolarHBondContact O-OG 2.9Å; D369-S372 PolarHBondContact O-OG 3.1Å; D369-S372 VanDerWaalsContact O-OG 3.11Å; T370-S372 PolarHBondContact O-N 2.94Å; S372-L383 VanDerWaalsContact CB-CD2 3.46Å |
| 373 | S | 86.4 | Confident | 86.9 | Confident | 92 Ų | 92 | 46.9 Ų | 46.9 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -79.6 | -22 | 171.1 | 77.6 | 0 | 0 | 0 | 0 | 113.5 | D369 T370 Y371 | D369-S373 PolarHBondContact O-N 3.3Å; T370-S373 PolarHBondContact O-N 2.7Å; T370-S373 PolarHBondContact O-OG 3.31Å; Y371-S373 PolarHBondContact O-N 3.33Å |
| 374 | L | 81.6 | Confident | 86.7 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -101.8 | -29.1 | -176.4 | -63.3 | 174.3 | 0 | 0 | 0 | 112.9 | L33 V35 T370 Y371 | L33-L374 HydrophobicContact CD2-CB 3.78Å; V35-L374 HydrophobicContact CG1-CD1 4.21Å; V35-L374 HydrophobicContact CG2-CD1 4.19Å; T370-L374 HydrophobicContact CG2-CD1 4.31Å; T370-L374 PolarHBondContact O-N 2.9Å; Y371-L374 PolarHBondContact O-N 2.88Å |
| 375 | S | 79.8 | Confident | 86.6 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | trans | -138.8 | 147.6 | -178.7 | -174 | 0 | 0 | 0 | 0 | 112.7 | Y371 D377 | Y371-S375 PolarHBondContact O-N 3.28Å; S375-D377 PolarHBondContact OG-N 3.47Å; S375-D377 PolarHBondContact OG-OD1 2.91Å; S375-D377 PolarHBondContact OG-OD2 2.93Å | ||
| 376 | S | 75.7 | Confident | 86.6 | Confident | 116 Ų | 116 | 54.7 Ų | 54.7 | 81% | 0.811 | 31% | 0.308 | S | S | * | . | trans | -104.2 | 22.5 | 178.6 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 377 | D | 75.5 | Confident | 86.6 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | trans | -71.9 | -31.4 | -175.9 | -53.1 | -38.1 | 0 | 0 | 0 | 113.2 | Y371 S375 T429 | Y371-D377 PolarHBondContact OH-OD2 2.74Å; S375-D377 PolarHBondContact OG-N 3.47Å; S375-D377 PolarHBondContact OG-OD1 2.91Å; S375-D377 PolarHBondContact OG-OD2 2.93Å; D377-T429 HydrophobicContact CB-CG2 3.83Å; D377-T429 WeakPolarHBondContact O-CG2 3.2Å | ||
| 378 | I | 82 | Confident | 86.7 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -79.8 | 130 | -179.9 | -60.9 | 176.3 | 0 | 0 | 0 | 108.8 | L368 Y371 L383 T425 W430 | L368-I378 HydrophobicContact CD1-CD1 3.56Å; Y371-I378 HydrophobicContact CD1-CD1 4.16Å; Y371-I378 HydrophobicContact CE1-CD1 4.49Å; I378-L383 HydrophobicContact CG2-CB 4.24Å; I378-T425 HydrophobicContact CG2-CG2 3.83Å; I378-W430 HydrophobicContact CD1-CZ2 4.29Å; I378-W430 HydrophobicContact CG1-CZ2 4.49Å |
| 379 | P | 82.5 | Confident | 86.9 | Confident | 52 Ų | 52 | 60.5 Ų | 60.5 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | trans | -55.2 | 133.2 | 179.2 | -25.8 | 33.9 | 0 | 0 | 0 | 112.2 | E381 R382 L383 | P379-E381 VanDerWaalsContact C-N 3.29Å; P379-E381 PolarHBondContact O-N 3.11Å; P379-R382 HydrophobicContact CB-CB 4.25Å; P379-R382 HydrophobicContact CB-CG 4.07Å; P379-R382 HydrophobicContact CG-CG 4.4Å; P379-R382 PolarHBondContact O-N 2.84Å; P379-L383 PolarHBondContact O-N 3.03Å | ||
| 380 | P | 82.9 | Confident | 87.1 | Confident | 79 Ų | 79 | 59 Ų | 59 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -35 | -173.5 | 23.6 | -33.4 | 0 | 0 | 0 | 112.8 | L383 S384 | P380-L383 PolarHBondContact O-N 3.47Å; P380-S384 WeakPolarHBondContact O-CB 3.43Å; P380-S384 PolarHBondContact O-N 3.25Å |
| 381 | E | 84.8 | Confident | 87.3 | Confident | 102 Ų | 102 | 61 Ų | 61 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -53.8 | 174.8 | -65.6 | 176.7 | 177.7 | 0 | 0 | 110.8 | P379 L383 S384 E385 | P379-E381 VanDerWaalsContact C-N 3.29Å; P379-E381 PolarHBondContact O-N 3.11Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 2.78Å; E381-S384 PolarHBondContact O-N 2.63Å; E381-S384 VanDerWaalsContact O-N 3.08Å; E381-S384 PolarHBondContact O-OG 3.43Å; E381-E385 WeakPolarHBondContact O-CG 3.41Å; E381-E385 PolarHBondContact O-N 3.3Å |
| 382 | R | 88.4 | Confident | 87.6 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 177.5 | -64.7 | -66.8 | -68.6 | -168.3 | -5.2 | 112 | P379 S384 E385 L386 T425 | P379-R382 HydrophobicContact CB-CB 4.25Å; P379-R382 HydrophobicContact CB-CG 4.07Å; P379-R382 HydrophobicContact CG-CG 4.4Å; P379-R382 PolarHBondContact O-N 2.84Å; R382-S384 VanDerWaalsContact C-N 3.33Å; R382-S384 PolarHBondContact O-N 2.89Å; R382-E385 IonicContact NH1-OE2 3.76Å; R382-E385 PolarHBondContact O-N 3.44Å; R382-L386 WeakPolarHBondContact O-CB 3.4Å; R382-L386 VanDerWaalsContact O-CG 3.24Å; R382-L386 WeakPolarHBondContact O-CG 3.41Å; R382-L386 PolarHBondContact O-N 2.89Å; R382-T425 HydrophobicContact CB-CG2 4.19Å; R382-T425 PolarHBondContact NH2-OG1 2.91Å |
| 383 | L | 89.5 | Confident | 87.8 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.141 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.4 | -177 | 65.5 | 0 | 0 | 0 | 111.6 | L368 S372 I378 P379 P380 E381 L386 K387 | L368-L383 HydrophobicContact CD1-CD1 3.99Å; L368-L383 HydrophobicContact CD2-CD1 4.12Å; L368-L383 HydrophobicContact CG-CD1 3.87Å; S372-L383 VanDerWaalsContact CB-CD2 3.46Å; I378-L383 HydrophobicContact CG2-CB 4.24Å; P379-L383 PolarHBondContact O-N 3.03Å; P380-L383 PolarHBondContact O-N 3.47Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 2.78Å; L383-L386 PolarHBondContact O-N 2.75Å; L383-K387 HydrophobicContact CG-CD 4.37Å; L383-K387 WeakPolarHBondContact O-CG 3.34Å; L383-K387 PolarHBondContact O-N 2.97Å |
| 384 | S | 89.6 | Confident | 88 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 177.9 | 74.4 | 0 | 0 | 0 | 0 | 112.5 | P380 E381 R382 K387 A388 | P380-S384 WeakPolarHBondContact O-CB 3.43Å; P380-S384 PolarHBondContact O-N 3.25Å; E381-S384 PolarHBondContact O-N 2.63Å; E381-S384 VanDerWaalsContact O-N 3.08Å; E381-S384 PolarHBondContact O-OG 3.43Å; R382-S384 VanDerWaalsContact C-N 3.33Å; R382-S384 PolarHBondContact O-N 2.89Å; S384-K387 PolarHBondContact O-N 2.85Å; S384-A388 WeakPolarHBondContact O-CB 3.48Å; S384-A388 PolarHBondContact O-N 3.36Å |
| 385 | E | 93.1 | Very high | 88.4 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 174.5 | -70.6 | 173.9 | 174.2 | 0 | 0 | 111.4 | E381 R382 A388 S389 | E381-E385 WeakPolarHBondContact O-CG 3.41Å; E381-E385 PolarHBondContact O-N 3.3Å; R382-E385 IonicContact NH1-OE2 3.76Å; R382-E385 PolarHBondContact O-N 3.44Å; E385-A388 PolarHBondContact O-N 2.71Å; E385-S389 WeakPolarHBondContact O-CB 3.25Å; E385-S389 PolarHBondContact O-N 2.95Å |
| 386 | L | 94.3 | Very high | 88.7 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 178.4 | -69.7 | 171.8 | 0 | 0 | 0 | 111.5 | L368 R382 L383 A388 S389 F390 Y418 S421 V422 T425 | L368-L386 HydrophobicContact CD2-CB 4Å; L368-L386 HydrophobicContact CD2-CD1 3.97Å; R382-L386 WeakPolarHBondContact O-CB 3.4Å; R382-L386 VanDerWaalsContact O-CG 3.24Å; R382-L386 WeakPolarHBondContact O-CG 3.41Å; R382-L386 PolarHBondContact O-N 2.89Å; L383-L386 PolarHBondContact O-N 2.75Å; L386-A388 PolarHBondContact O-N 2.93Å; L386-S389 PolarHBondContact O-N 3.27Å; L386-F390 PolarHBondContact O-N 3.26Å; L386-Y418 HydrophobicContact CB-CE2 4.33Å; L386-Y418 HydrophobicContact CD2-CD2 4.41Å; L386-Y418 HydrophobicContact CD2-CE2 4.21Å; L386-Y418 WeakPolarHBondContact O-CE2 3.5Å; L386-S421 WeakPolarHBondContact CD2-OG 3.49Å; L386-V422 HydrophobicContact CD1-CG2 4.21Å; L386-V422 HydrophobicContact CD2-CG2 3.84Å; L386-T425 HydrophobicContact CD1-CG2 4.39Å |
| 387 | K | 93.3 | Very high | 89.3 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 32% | 0.317 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -41 | 177.9 | -74 | -177 | -178.5 | -162 | 0 | 112.7 | D369 L383 S384 S391 | D369-K387 WeakPolarHBondContact OD1-CE 3.31Å; D369-K387 IonicContact OD1-NZ 3.85Å; D369-K387 PolarHBondContact OD1-NZ 2.97Å; L383-K387 HydrophobicContact CG-CD 4.37Å; L383-K387 WeakPolarHBondContact O-CG 3.34Å; L383-K387 PolarHBondContact O-N 2.97Å; S384-K387 PolarHBondContact O-N 2.85Å; K387-S391 WeakPolarHBondContact O-CB 3.46Å; K387-S391 PolarHBondContact O-N 2.96Å; K387-S391 PolarHBondContact O-OG 3.37Å |
| 388 | A | 93.9 | Very high | 89.7 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 51% | 0.512 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S384 E385 L386 S391 L392 | S384-A388 WeakPolarHBondContact O-CB 3.48Å; S384-A388 PolarHBondContact O-N 3.36Å; E385-A388 PolarHBondContact O-N 2.71Å; L386-A388 PolarHBondContact O-N 2.93Å; A388-S391 PolarHBondContact O-N 3.11Å; A388-L392 PolarHBondContact O-N 2.87Å; A388-L392 VanDerWaalsContact O-N 3.13Å |
| 389 | S | 95.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | E385 L386 S391 L392 L393 | E385-S389 WeakPolarHBondContact O-CB 3.25Å; E385-S389 PolarHBondContact O-N 2.95Å; L386-S389 PolarHBondContact O-N 3.27Å; S389-S391 PolarHBondContact O-N 3.29Å; S389-L392 PolarHBondContact O-N 3.47Å; S389-L393 VanDerWaalsContact O-CG 3.31Å; S389-L393 WeakPolarHBondContact O-CG 3.25Å; S389-L393 PolarHBondContact O-N 2.8Å |
| 390 | F | 94.9 | Very high | 89.6 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 13% | 0.132 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.4 | 175.8 | -101.7 | 0 | 0 | 0 | 112.3 | T361 N365 L386 L392 L393 S394 Y418 | T361-F390 HydrophobicContact CG2-CD2 3.78Å; T361-F390 HydrophobicContact CG2-CE2 3.86Å; N365-F390 HydrophobicContact CB-CD1 4.12Å; N365-F390 HydrophobicContact CB-CD2 3.55Å; N365-F390 HydrophobicContact CB-CE1 4.08Å; N365-F390 HydrophobicContact CB-CE2 3.51Å; N365-F390 HydrophobicContact CB-CG 3.86Å; N365-F390 HydrophobicContact CB-CZ 3.79Å; N365-F390 VanDerWaalsContact CG-CG 3.42Å; N365-F390 WeakPolarHBondContact ND2-CD1 3.49Å; N365-F390 VanDerWaalsContact ND2-CE1 3.27Å; N365-F390 WeakPolarHBondContact ND2-CE1 3.33Å; N365-F390 WeakPolarHBondContact OD1-CD1 3.41Å; N365-F390 WeakPolarHBondContact OD1-CG 3.4Å; L386-F390 PolarHBondContact O-N 3.26Å; F390-L392 VanDerWaalsContact C-N 3.3Å; F390-L392 PolarHBondContact O-N 3.06Å; F390-L393 PolarHBondContact O-N 2.9Å; F390-S394 WeakPolarHBondContact O-CB 3.43Å; F390-S394 PolarHBondContact O-N 3.23Å; F390-Y418 HydrophobicContact CB-CE2 3.82Å; F390-Y418 HydrophobicContact CD2-CE1 4.25Å |
| 391 | S | 93.8 | Very high | 89.3 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 54% | 0.538 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | -179.8 | -59.5 | 0 | 0 | 0 | 0 | 112 | K387 A388 S389 S395 | K387-S391 WeakPolarHBondContact O-CB 3.46Å; K387-S391 PolarHBondContact O-N 2.96Å; K387-S391 PolarHBondContact O-OG 3.37Å; A388-S391 PolarHBondContact O-N 3.11Å; S389-S391 PolarHBondContact O-N 3.29Å; S391-S395 WeakPolarHBondContact O-CB 3.4Å; S391-S395 PolarHBondContact O-N 3.44Å |
| 392 | L | 93.8 | Very high | 88.6 | Confident | 123 Ų | 123 | 57 Ų | 57 | 64% | 0.644 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.7 | -47.7 | 176.8 | -174.7 | 128.4 | 0 | 0 | 0 | 111.8 | A388 S389 F390 S394 S395 D396 | A388-L392 PolarHBondContact O-N 2.87Å; A388-L392 VanDerWaalsContact O-N 3.13Å; S389-L392 PolarHBondContact O-N 3.47Å; F390-L392 VanDerWaalsContact C-N 3.3Å; F390-L392 PolarHBondContact O-N 3.06Å; L392-S394 VanDerWaalsContact C-N 3.35Å; L392-S394 PolarHBondContact O-N 3.23Å; L392-S395 PolarHBondContact O-N 2.91Å; L392-D396 PolarHBondContact O-N 3.26Å |
| 393 | L | 92.6 | Very high | 87.7 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 178.5 | -66.7 | 169.5 | 0 | 0 | 0 | 112.2 | S389 F390 D396 Y397 L411 S414 L415 Y418 | S389-L393 VanDerWaalsContact O-CG 3.31Å; S389-L393 WeakPolarHBondContact O-CG 3.25Å; S389-L393 PolarHBondContact O-N 2.8Å; F390-L393 PolarHBondContact O-N 2.9Å; L393-D396 PolarHBondContact O-N 3.2Å; L393-Y397 WeakPolarHBondContact O-CB 3.39Å; L393-Y397 PolarHBondContact O-N 3.18Å; L393-L411 HydrophobicContact CD2-CD1 4.05Å; L393-S414 VanDerWaalsContact CD2-CB 3.47Å; L393-L415 HydrophobicContact CB-CD2 4.1Å; L393-L415 HydrophobicContact CD1-CD2 4.32Å; L393-Y418 HydrophobicContact CD1-CD2 4.5Å; L393-Y418 HydrophobicContact CD1-CG 4.14Å |
| 394 | S | 90.8 | Very high | 86.6 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.7 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | W358 F390 L392 L398 | W358-S394 WeakPolarHBondContact CH2-OG 3.43Å; F390-S394 WeakPolarHBondContact O-CB 3.43Å; F390-S394 PolarHBondContact O-N 3.23Å; L392-S394 VanDerWaalsContact C-N 3.35Å; L392-S394 PolarHBondContact O-N 3.23Å; S394-L398 VanDerWaalsContact O-CB 3.32Å; S394-L398 WeakPolarHBondContact O-CB 3.28Å; S394-L398 WeakPolarHBondContact O-CG 3.33Å; S394-L398 PolarHBondContact O-N 3.17Å |
| 395 | S | 89.1 | Confident | 85.6 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 177.4 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | S391 L392 G399 | S391-S395 WeakPolarHBondContact O-CB 3.4Å; S391-S395 PolarHBondContact O-N 3.44Å; L392-S395 PolarHBondContact O-N 2.91Å; S395-G399 PolarHBondContact O-N 3.49Å |
| 396 | D | 87.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 179.8 | -169.5 | 24.7 | 0 | 0 | 0 | 111.8 | L392 L393 S400 L411 | L392-D396 PolarHBondContact O-N 3.26Å; L393-D396 PolarHBondContact O-N 3.2Å; D396-S400 WeakPolarHBondContact O-CB 3.41Å; D396-S400 PolarHBondContact O-N 3.31Å; D396-S400 PolarHBondContact O-OG 3.36Å; D396-L411 HydrophobicContact CB-CD1 4.28Å |
| 397 | Y | 86.8 | Confident | 82.9 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 6% | 0.063 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63 | -52 | 176.3 | -176.5 | -92.3 | 0 | 0 | 0 | 112 | L354 W358 L393 G399 S400 V401 L411 | L354-Y397 HydrophobicContact CD2-CD2 4.09Å; L354-Y397 HydrophobicContact CD2-CE2 3.77Å; L354-Y397 HydrophobicContact CG-CD2 4.25Å; L354-Y397 HydrophobicContact CG-CE2 3.84Å; W358-Y397 HydrophobicContact CB-CD2 4.26Å; W358-Y397 HydrophobicContact CB-CE1 4.04Å; W358-Y397 HydrophobicContact CB-CE2 3.76Å; W358-Y397 AromaticContact CD1-CE1 3.37Å; W358-Y397 AromaticContact CD1-CZ 3.65Å; W358-Y397 AromaticContact CD2-CD1 3.4Å; W358-Y397 HydrophobicContact CD2-CD1 3.4Å; W358-Y397 HydrophobicContact CD2-CD2 4.39Å; W358-Y397 AromaticContact CD2-CE1 3.5Å; W358-Y397 HydrophobicContact CD2-CE1 3.5Å; W358-Y397 VanDerWaalsContact CD2-CE1 3.5Å; W358-Y397 HydrophobicContact CD2-CE2 4.47Å; W358-Y397 AromaticContact CD2-CG 3.88Å; W358-Y397 HydrophobicContact CD2-CG 3.88Å; W358-Y397 AromaticContact CE2-CD1 3.59Å; W358-Y397 AromaticContact CE2-CE1 3.62Å; W358-Y397 AromaticContact CE3-CD1 3.7Å; W358-Y397 HydrophobicContact CE3-CD1 3.7Å; W358-Y397 HydrophobicContact CE3-CD2 4.37Å; W358-Y397 HydrophobicContact CE3-CE1 4.25Å; W358-Y397 AromaticContact CE3-CG 3.77Å; W358-Y397 HydrophobicContact CE3-CG 3.77Å; W358-Y397 AromaticContact CG-CD1 3.77Å; W358-Y397 HydrophobicContact CG-CD1 3.77Å; W358-Y397 HydrophobicContact CG-CD2 4.35Å; W358-Y397 AromaticContact CG-CE1 3.35Å; W358-Y397 HydrophobicContact CG-CE1 3.35Å; W358-Y397 AromaticContact CG-CE2 3.99Å; W358-Y397 HydrophobicContact CG-CE2 3.99Å; W358-Y397 HydrophobicContact CG-CG 4.25Å; W358-Y397 AromaticContact CG-CZ 3.46Å; W358-Y397 VanDerWaalsContact CG-CZ 3.46Å; W358-Y397 HydrophobicContact CH2-CD1 4.3Å; W358-Y397 HydrophobicContact CZ2-CD1 4.04Å; W358-Y397 HydrophobicContact CZ2-CE1 4.43Å; W358-Y397 HydrophobicContact CZ3-CD1 4.15Å; W358-Y397 HydrophobicContact CZ3-CG 4.28Å; W358-Y397 AromaticContact NE1-CD1 3.99Å; W358-Y397 AromaticContact NE1-CE1 3.51Å; L393-Y397 WeakPolarHBondContact O-CB 3.39Å; L393-Y397 PolarHBondContact O-N 3.18Å; Y397-G399 VanDerWaalsContact C-N 3.33Å; Y397-G399 PolarHBondContact O-N 3.33Å; Y397-S400 PolarHBondContact O-N 3.21Å; Y397-V401 HydrophobicContact CD1-CG2 4.17Å; Y397-V401 HydrophobicContact CE1-CG2 3.75Å; Y397-V401 HydrophobicContact CE2-CG2 4.14Å; Y397-V401 WeakPolarHBondContact O-CG2 3.3Å; Y397-V401 PolarHBondContact O-N 3.25Å; Y397-L411 HydrophobicContact CD2-CD2 3.94Å; Y397-L411 HydrophobicContact CG-CD2 4.49Å |
| 398 | L | 84.4 | Confident | 81.8 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 37% | 0.372 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | -179.1 | -68.3 | 173.4 | 0 | 0 | 0 | 111.9 | Q46 W358 S394 G402 | Q46-L398 HydrophobicContact CG-CD2 4.48Å; W358-L398 HydrophobicContact CZ2-CD2 4.23Å; W358-L398 HydrophobicContact CZ2-CG 4.47Å; S394-L398 VanDerWaalsContact O-CB 3.32Å; S394-L398 WeakPolarHBondContact O-CB 3.28Å; S394-L398 WeakPolarHBondContact O-CG 3.33Å; S394-L398 PolarHBondContact O-N 3.17Å; L398-G402 PolarHBondContact O-N 3.17Å |
| 399 | G | 83.3 | Confident | 80.7 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S395 Y397 A403 | S395-G399 PolarHBondContact O-N 3.49Å; Y397-G399 VanDerWaalsContact C-N 3.33Å; Y397-G399 PolarHBondContact O-N 3.33Å; G399-A403 VanDerWaalsContact O-CB 3.22Å; G399-A403 WeakPolarHBondContact O-CB 3.47Å; G399-A403 PolarHBondContact O-N 3Å; G399-A403 VanDerWaalsContact O-N 3.11Å |
| 400 | S | 78.7 | Confident | 80.1 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 12% | 0.119 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.9 | -48.3 | 178.3 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | D396 Y397 A403 G404 R405 | D396-S400 WeakPolarHBondContact O-CB 3.41Å; D396-S400 PolarHBondContact O-N 3.31Å; D396-S400 PolarHBondContact O-OG 3.36Å; Y397-S400 PolarHBondContact O-N 3.21Å; S400-A403 PolarHBondContact O-N 3.33Å; S400-G404 PolarHBondContact O-N 3.15Å; S400-R405 PolarHBondContact O-N 3.18Å; S400-R405 VanDerWaalsContact O-N 3.09Å |
| 401 | V | 76.3 | Confident | 79.8 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 179 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | Y397 A403 G404 | Y397-V401 HydrophobicContact CD1-CG2 4.17Å; Y397-V401 HydrophobicContact CE1-CG2 3.75Å; Y397-V401 HydrophobicContact CE2-CG2 4.14Å; Y397-V401 WeakPolarHBondContact O-CG2 3.3Å; Y397-V401 PolarHBondContact O-N 3.25Å; V401-A403 VanDerWaalsContact C-N 3.27Å; V401-A403 PolarHBondContact O-N 2.78Å; V401-G404 PolarHBondContact O-N 2.84Å; V401-G404 VanDerWaalsContact O-N 3.1Å |
| 402 | G | 69.9 | Low | 79.4 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 73% | 0.732 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65 | -28.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | L398 | L398-G402 PolarHBondContact O-N 3.17Å |
| 403 | A | 70.9 | Confident | 79.2 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G399 S400 V401 R405 | G399-A403 VanDerWaalsContact O-CB 3.22Å; G399-A403 WeakPolarHBondContact O-CB 3.47Å; G399-A403 PolarHBondContact O-N 3Å; G399-A403 VanDerWaalsContact O-N 3.11Å; S400-A403 PolarHBondContact O-N 3.33Å; V401-A403 VanDerWaalsContact C-N 3.27Å; V401-A403 PolarHBondContact O-N 2.78Å; A403-R405 HydrophobicContact CB-CG 4.01Å; A403-R405 PolarHBondContact O-N 3.01Å |
| 404 | G | 67.1 | Low | 79.2 | Confident | 72 Ų | 72 | 67.7 Ų | 67.7 | 74% | 0.742 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 20.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S400 V401 | S400-G404 PolarHBondContact O-N 3.15Å; V401-G404 PolarHBondContact O-N 2.84Å; V401-G404 VanDerWaalsContact O-N 3.1Å |
| 405 | R | 67 | Low | 79.3 | Confident | 183 Ų | 183 | 66.5 Ų | 66.5 | 69% | 0.691 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -88.7 | 143.6 | -179.4 | -69.1 | -178.8 | -177.8 | 178.7 | 1 | 109.6 | S400 A403 P407 | S400-R405 PolarHBondContact O-N 3.18Å; S400-R405 VanDerWaalsContact O-N 3.09Å; A403-R405 HydrophobicContact CB-CG 4.01Å; A403-R405 PolarHBondContact O-N 3.01Å; R405-P407 VanDerWaalsContact O-CD 3.3Å; R405-P407 WeakPolarHBondContact O-CD 3.05Å; R405-P407 VanDerWaalsContact O-N 3.17Å |
| 406 | P | 63.6 | Low | 79.5 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 71% | 0.708 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -60 | 122.7 | 170 | 25.2 | -31.6 | 0 | 0 | 0 | 108.3 | ||
| 407 | P | 67.3 | Low | 79.8 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 17% | 0.169 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.7 | 179.8 | 17.4 | -25.8 | 0 | 0 | 0 | 110.9 | L354 R405 L411 | L354-P407 HydrophobicContact CD2-CB 3.37Å; L354-P407 HydrophobicContact CD2-CG 3.04Å; R405-P407 VanDerWaalsContact O-CD 3.3Å; R405-P407 WeakPolarHBondContact O-CD 3.05Å; R405-P407 VanDerWaalsContact O-N 3.17Å; P407-L411 HydrophobicContact CB-CD2 4.03Å |
| 408 | S | 71.3 | Confident | 80.2 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 34% | 0.336 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 143.9 | -175.1 | 81.6 | 0 | 0 | 0 | 0 | 111.5 | R410 L411 | S408-R410 PolarHBondContact O-N 3.17Å; S408-L411 WeakPolarHBondContact O-CB 3.09Å; S408-L411 PolarHBondContact O-N 2.86Å; S408-L411 PolarHBondContact OG-N 3.41Å |
| 409 | P | 69.4 | Low | 80.7 | Confident | 124 Ų | 124 | 60.9 Ų | 60.9 | 81% | 0.805 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -57.8 | -25 | 175.5 | -22.3 | 31.1 | 0 | 0 | 0 | 113 | L411 | P409-L411 VanDerWaalsContact C-N 3.33Å |
| 410 | R | 84.1 | Confident | 81.2 | Confident | 200 Ų | 200 | 60.8 Ų | 60.8 | 76% | 0.755 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.8 | -19.3 | 178 | -64.4 | -176 | 179.2 | -173.9 | -0.8 | 113.6 | S408 S413 S414 | S408-R410 PolarHBondContact O-N 3.17Å; R410-S413 PolarHBondContact O-OG 3.17Å; R410-S414 WeakPolarHBondContact O-CB 3.25Å; R410-S414 PolarHBondContact O-N 3.32Å; R410-S414 PolarHBondContact O-OG 2.93Å |
| 411 | L | 87.9 | Confident | 82 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69 | -42.5 | -177.7 | -177.5 | 57.1 | 0 | 0 | 0 | 111.2 | L354 L393 D396 Y397 P407 S408 P409 S414 L415 | L354-L411 HydrophobicContact CD1-CB 4.46Å; L354-L411 HydrophobicContact CD1-CD2 4.35Å; L354-L411 HydrophobicContact CD1-CG 4.16Å; L354-L411 HydrophobicContact CD2-CD2 4.42Å; L393-L411 HydrophobicContact CD2-CD1 4.05Å; D396-L411 HydrophobicContact CB-CD1 4.28Å; Y397-L411 HydrophobicContact CD2-CD2 3.94Å; Y397-L411 HydrophobicContact CG-CD2 4.49Å; P407-L411 HydrophobicContact CB-CD2 4.03Å; S408-L411 WeakPolarHBondContact O-CB 3.09Å; S408-L411 PolarHBondContact O-N 2.86Å; S408-L411 PolarHBondContact OG-N 3.41Å; P409-L411 VanDerWaalsContact C-N 3.33Å; L411-S414 PolarHBondContact O-N 3.41Å; L411-L415 HydrophobicContact CD1-CG 4.36Å; L411-L415 HydrophobicContact CG-CD1 4.28Å; L411-L415 WeakPolarHBondContact O-CG 3.35Å; L411-L415 PolarHBondContact O-N 3.05Å |
| 412 | A | 86.1 | Confident | 82.8 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L354 L357 S414 L415 Q416 | L354-A412 HydrophobicContact CD1-CB 4Å; L357-A412 HydrophobicContact CD1-CB 3.85Å; A412-S414 VanDerWaalsContact C-N 3.28Å; A412-S414 PolarHBondContact O-N 2.91Å; A412-L415 PolarHBondContact O-N 3.46Å; A412-Q416 WeakPolarHBondContact O-CG 3.48Å; A412-Q416 PolarHBondContact O-N 3.21Å |
| 413 | S | 88.9 | Confident | 83.8 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -33.6 | 177.6 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | R410 Q416 A417 | R410-S413 PolarHBondContact O-OG 3.17Å; S413-Q416 PolarHBondContact O-N 3.14Å; S413-A417 WeakPolarHBondContact O-CB 3.38Å; S413-A417 PolarHBondContact O-N 3.24Å |
| 414 | S | 93 | Very high | 84.7 | Confident | 50 Ų | 50 | 57 Ų | 57 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.4 | -36.1 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | L393 R410 L411 A412 A417 Y418 | L393-S414 VanDerWaalsContact CD2-CB 3.47Å; R410-S414 WeakPolarHBondContact O-CB 3.25Å; R410-S414 PolarHBondContact O-N 3.32Å; R410-S414 PolarHBondContact O-OG 2.93Å; L411-S414 PolarHBondContact O-N 3.41Å; A412-S414 VanDerWaalsContact C-N 3.28Å; A412-S414 PolarHBondContact O-N 2.91Å; S414-A417 PolarHBondContact O-N 3.34Å; S414-Y418 PolarHBondContact O-N 2.98Å |
| 415 | L | 93.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 172.7 | -69.7 | 169.4 | 0 | 0 | 0 | 111.5 | L354 L357 T361 L393 L411 A412 Y418 L419 | L354-L415 HydrophobicContact CD1-CD1 3.84Å; L357-L415 HydrophobicContact CB-CB 4.24Å; L357-L415 HydrophobicContact CB-CD1 3.93Å; L357-L415 HydrophobicContact CD1-CB 4.43Å; T361-L415 HydrophobicContact CG2-CD2 3.77Å; L393-L415 HydrophobicContact CB-CD2 4.1Å; L393-L415 HydrophobicContact CD1-CD2 4.32Å; L411-L415 HydrophobicContact CD1-CG 4.36Å; L411-L415 HydrophobicContact CG-CD1 4.28Å; L411-L415 WeakPolarHBondContact O-CG 3.35Å; L411-L415 PolarHBondContact O-N 3.05Å; A412-L415 PolarHBondContact O-N 3.46Å; L415-Y418 WeakPolarHBondContact O-CB 3.48Å; L415-Y418 PolarHBondContact O-N 3.07Å; L415-L419 WeakPolarHBondContact O-CG 3.43Å; L415-L419 PolarHBondContact O-N 2.84Å |
| 416 | Q | 92.6 | Very high | 86.7 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 172.8 | -68.5 | -177.6 | -73.4 | 0 | 0 | 112.2 | Q332 L335 L357 A412 S413 Y418 L419 T420 | Q332-Q416 PolarHBondContact OE1-O 3.1Å; L335-Q416 HydrophobicContact CD1-CG 4.03Å; L357-Q416 HydrophobicContact CD1-CG 4.14Å; L357-Q416 HydrophobicContact CD2-CG 3.68Å; A412-Q416 WeakPolarHBondContact O-CG 3.48Å; A412-Q416 PolarHBondContact O-N 3.21Å; S413-Q416 PolarHBondContact O-N 3.14Å; Q416-Y418 VanDerWaalsContact C-N 3.29Å; Q416-Y418 PolarHBondContact O-N 2.7Å; Q416-L419 PolarHBondContact O-N 3.16Å; Q416-T420 WeakPolarHBondContact O-CB 3.4Å; Q416-T420 PolarHBondContact O-N 3.27Å; Q416-T420 PolarHBondContact O-OG1 3.25Å |
| 417 | A | 93.7 | Very high | 87.6 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 50% | 0.504 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S413 S414 S421 | S413-A417 WeakPolarHBondContact O-CB 3.38Å; S413-A417 PolarHBondContact O-N 3.24Å; S414-A417 PolarHBondContact O-N 3.34Å; A417-S421 WeakPolarHBondContact O-CB 3.25Å; A417-S421 PolarHBondContact O-N 3.21Å |
| 418 | Y | 95.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -52.2 | 172.8 | 171.6 | -98.5 | 0 | 0 | 0 | 112 | T361 N365 L386 F390 L393 S414 L415 Q416 T420 S421 V422 | T361-Y418 HydrophobicContact CG2-CD1 3.55Å; T361-Y418 HydrophobicContact CG2-CE1 3.69Å; N365-Y418 PolarHBondContact OD1-OH 2.99Å; N365-Y418 VanDerWaalsContact OD1-OH 3.11Å; L386-Y418 HydrophobicContact CB-CE2 4.33Å; L386-Y418 HydrophobicContact CD2-CD2 4.41Å; L386-Y418 HydrophobicContact CD2-CE2 4.21Å; L386-Y418 WeakPolarHBondContact O-CE2 3.5Å; F390-Y418 HydrophobicContact CB-CE2 3.82Å; F390-Y418 HydrophobicContact CD2-CE1 4.25Å; L393-Y418 HydrophobicContact CD1-CD2 4.5Å; L393-Y418 HydrophobicContact CD1-CG 4.14Å; S414-Y418 PolarHBondContact O-N 2.98Å; L415-Y418 WeakPolarHBondContact O-CB 3.48Å; L415-Y418 PolarHBondContact O-N 3.07Å; Q416-Y418 VanDerWaalsContact C-N 3.29Å; Q416-Y418 PolarHBondContact O-N 2.7Å; Y418-T420 VanDerWaalsContact C-N 3.3Å; Y418-T420 PolarHBondContact O-N 3.21Å; Y418-S421 WeakPolarHBondContact O-CB 3.41Å; Y418-S421 PolarHBondContact O-N 3.19Å; Y418-S421 VanDerWaalsContact O-N 3.12Å; Y418-V422 HydrophobicContact CD1-CG2 4.41Å; Y418-V422 HydrophobicContact CD2-CG2 4.39Å; Y418-V422 HydrophobicContact CE1-CG2 3.9Å; Y418-V422 HydrophobicContact CE2-CG2 3.85Å; Y418-V422 WeakPolarHBondContact O-CG2 3.01Å; Y418-V422 PolarHBondContact O-N 3.5Å |
| 419 | L | 95.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 178.8 | -72.7 | 170.4 | 0 | 0 | 0 | 111.8 | Q332 L357 N360 V364 L415 Q416 V422 R423 | Q332-L419 HydrophobicContact CB-CB 4.34Å; Q332-L419 HydrophobicContact CB-CD1 4.31Å; Q332-L419 HydrophobicContact CG-CB 4.32Å; Q332-L419 HydrophobicContact CG-CD1 3.79Å; L357-L419 HydrophobicContact CD2-CD1 4.07Å; N360-L419 HydrophobicContact CB-CD1 4.32Å; V364-L419 HydrophobicContact CB-CD2 3.79Å; V364-L419 HydrophobicContact CG1-CD2 4.08Å; V364-L419 HydrophobicContact CG2-CD2 3.61Å; L415-L419 WeakPolarHBondContact O-CG 3.43Å; L415-L419 PolarHBondContact O-N 2.84Å; Q416-L419 PolarHBondContact O-N 3.16Å; L419-V422 PolarHBondContact O-N 3Å; L419-R423 WeakPolarHBondContact O-CB 3.37Å; L419-R423 PolarHBondContact O-N 3.1Å |
| 420 | T | 93.4 | Very high | 88.9 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 27% | 0.27 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.2 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | Q332 Q416 Y418 V422 R423 D424 | Q332-T420 PolarHBondContact OE1-OG1 2.75Å; Q416-T420 WeakPolarHBondContact O-CB 3.4Å; Q416-T420 PolarHBondContact O-N 3.27Å; Q416-T420 PolarHBondContact O-OG1 3.25Å; Y418-T420 VanDerWaalsContact C-N 3.3Å; Y418-T420 PolarHBondContact O-N 3.21Å; T420-V422 PolarHBondContact O-N 3.14Å; T420-R423 PolarHBondContact O-N 3.13Å; T420-D424 WeakPolarHBondContact O-CB 3.3Å; T420-D424 PolarHBondContact O-N 3.27Å |
| 421 | S | 94.3 | Very high | 88.1 | Confident | 38 Ų | 38 | 28.5 Ų | 28.5 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 178.7 | -171 | 0 | 0 | 0 | 0 | 112.9 | L386 A417 Y418 T425 | L386-S421 WeakPolarHBondContact CD2-OG 3.49Å; A417-S421 WeakPolarHBondContact O-CB 3.25Å; A417-S421 PolarHBondContact O-N 3.21Å; Y418-S421 WeakPolarHBondContact O-CB 3.41Å; Y418-S421 PolarHBondContact O-N 3.19Å; Y418-S421 VanDerWaalsContact O-N 3.12Å; S421-T425 WeakPolarHBondContact O-CB 3.24Å; S421-T425 PolarHBondContact O-N 3.48Å; S421-T425 PolarHBondContact O-OG1 3.36Å |
| 422 | V | 93.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -52.5 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | V364 L368 L386 Y418 L419 T420 D424 T425 C426 | V364-V422 HydrophobicContact CG1-CB 4.05Å; V364-V422 HydrophobicContact CG1-CG1 3.59Å; V364-V422 HydrophobicContact CG1-CG2 4.18Å; L368-V422 HydrophobicContact CD2-CG2 4.34Å; L386-V422 HydrophobicContact CD1-CG2 4.21Å; L386-V422 HydrophobicContact CD2-CG2 3.84Å; Y418-V422 HydrophobicContact CD1-CG2 4.41Å; Y418-V422 HydrophobicContact CD2-CG2 4.39Å; Y418-V422 HydrophobicContact CE1-CG2 3.9Å; Y418-V422 HydrophobicContact CE2-CG2 3.85Å; Y418-V422 WeakPolarHBondContact O-CG2 3.01Å; Y418-V422 PolarHBondContact O-N 3.5Å; L419-V422 PolarHBondContact O-N 3Å; T420-V422 PolarHBondContact O-N 3.14Å; V422-D424 VanDerWaalsContact C-N 3.35Å; V422-D424 PolarHBondContact O-N 3.48Å; V422-T425 WeakPolarHBondContact O-CB 3.43Å; V422-T425 PolarHBondContact O-N 3.26Å; V422-C426 PolarHBondContact O-N 3.14Å; V422-C426 PolarHBondContact O-SG 2.99Å |
| 423 | R | 91.1 | Very high | 87.1 | Confident | 22 Ų | 22 | 37.5 Ų | 37.5 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | -179.5 | -178.4 | 177.1 | 61.9 | -165.9 | -3.7 | 112.3 | D312 L419 T420 T425 C426 R427 | D312-R423 IonicContact OD1-CZ 3.3Å; D312-R423 IonicContact OD1-NH1 3.13Å; D312-R423 PolarHBondContact OD1-NH1 3.47Å; D312-R423 IonicContact OD2-CZ 2.91Å; D312-R423 IonicContact OD2-NH1 3.83Å; D312-R423 PolarHBondContact OD2-NH1 2.91Å; L419-R423 WeakPolarHBondContact O-CB 3.37Å; L419-R423 PolarHBondContact O-N 3.1Å; T420-R423 PolarHBondContact O-N 3.13Å; R423-T425 VanDerWaalsContact C-N 3.35Å; R423-C426 PolarHBondContact O-N 3.43Å; R423-R427 VanDerWaalsContact O-CB 3.3Å; R423-R427 WeakPolarHBondContact O-CB 3.41Å; R423-R427 PolarHBondContact O-N 3.41Å |
| 424 | D | 90.1 | Very high | 86.9 | Confident | 69 Ų | 69 | 37.3 Ų | 37.3 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.2 | -36.4 | 179.5 | -75.4 | -21.7 | 0 | 0 | 0 | 112.4 | T420 V422 R427 A428 | T420-D424 WeakPolarHBondContact O-CB 3.3Å; T420-D424 PolarHBondContact O-N 3.27Å; V422-D424 VanDerWaalsContact C-N 3.35Å; V422-D424 PolarHBondContact O-N 3.48Å; D424-R427 PolarHBondContact O-N 2.95Å; D424-R427 IonicContact OD1-NH1 3.67Å; D424-R427 PolarHBondContact OD1-NH1 2.94Å; D424-A428 WeakPolarHBondContact O-CB 3.41Å; D424-A428 PolarHBondContact O-N 3.31Å |
| 425 | T | 89.1 | Confident | 86.7 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 173.8 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | I378 R382 L386 S421 V422 R423 T429 | I378-T425 HydrophobicContact CG2-CG2 3.83Å; R382-T425 HydrophobicContact CB-CG2 4.19Å; R382-T425 PolarHBondContact NH2-OG1 2.91Å; L386-T425 HydrophobicContact CD1-CG2 4.39Å; S421-T425 WeakPolarHBondContact O-CB 3.24Å; S421-T425 PolarHBondContact O-N 3.48Å; S421-T425 PolarHBondContact O-OG1 3.36Å; V422-T425 WeakPolarHBondContact O-CB 3.43Å; V422-T425 PolarHBondContact O-N 3.26Å; R423-T425 VanDerWaalsContact C-N 3.35Å; T425-T429 PolarHBondContact O-N 3.07Å; T425-T429 PolarHBondContact O-OG1 3.48Å |
| 426 | C | 86.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 175.2 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | L132 V422 R423 A428 T429 W430 | L132-C426 VanDerWaalsContact CD1-C 3.45Å; L132-C426 HydrophobicContact CD1-CB 3.59Å; V422-C426 PolarHBondContact O-N 3.14Å; V422-C426 PolarHBondContact O-SG 2.99Å; R423-C426 PolarHBondContact O-N 3.43Å; C426-A428 PolarHBondContact O-N 3.49Å; C426-T429 PolarHBondContact O-N 3.46Å; C426-T429 VanDerWaalsContact O-N 3.1Å; C426-W430 HydrophobicContact CB-CD2 4.36Å; C426-W430 HydrophobicContact CB-CE3 3.69Å; C426-W430 HydrophobicContact CB-CH2 3.99Å; C426-W430 HydrophobicContact CB-CZ3 3.5Å; C426-W430 PolarHBondContact O-N 2.95Å; C426-W430 VanDerWaalsContact SG-CH2 3.6Å |
| 427 | R | 83.1 | Confident | 86.5 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 178.5 | 178.4 | -175.5 | -74.3 | 138.6 | -5.1 | 112.5 | D115 L132 R423 D424 T429 A431 | D115-R427 IonicContact OD1-CZ 3.54Å; D115-R427 IonicContact OD1-NE 3.21Å; D115-R427 PolarHBondContact OD1-NE 2.92Å; D115-R427 IonicContact OD1-NH2 3.75Å; D115-R427 PolarHBondContact OD1-NH2 2.66Å; D115-R427 IonicContact OD2-CZ 3.58Å; D115-R427 IonicContact OD2-NE 2.96Å; D115-R427 IonicContact OD2-NH2 2.58Å; D115-R427 PolarHBondContact OD2-NH2 2.86Å; D115-R427 VanDerWaalsContact OD2-NH2 3.14Å; L132-R427 VanDerWaalsContact CD1-CA 3.49Å; L132-R427 HydrophobicContact CD1-CB 3.95Å; R423-R427 VanDerWaalsContact O-CB 3.3Å; R423-R427 WeakPolarHBondContact O-CB 3.41Å; R423-R427 PolarHBondContact O-N 3.41Å; D424-R427 PolarHBondContact O-N 2.95Å; D424-R427 IonicContact OD1-NH1 3.67Å; D424-R427 PolarHBondContact OD1-NH1 2.94Å; R427-T429 PolarHBondContact O-N 2.69Å; R427-A431 HydrophobicContact CG-CB 4.23Å; R427-A431 PolarHBondContact O-N 2.83Å |
| 428 | A | 79.3 | Confident | 86.5 | Confident | 66 Ų | 66 | 39.1 Ų | 39.1 | 55% | 0.545 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.6 | -25.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D424 C426 | D424-A428 WeakPolarHBondContact O-CB 3.41Å; D424-A428 PolarHBondContact O-N 3.31Å; C426-A428 PolarHBondContact O-N 3.49Å |
| 429 | T | 78.3 | Confident | 86.6 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -90.9 | -41.2 | -178 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | D377 T425 C426 R427 | D377-T429 HydrophobicContact CB-CG2 3.83Å; D377-T429 WeakPolarHBondContact O-CG2 3.2Å; T425-T429 PolarHBondContact O-N 3.07Å; T425-T429 PolarHBondContact O-OG1 3.48Å; C426-T429 PolarHBondContact O-N 3.46Å; C426-T429 VanDerWaalsContact O-N 3.1Å; R427-T429 PolarHBondContact O-N 2.69Å |
| 430 | W | 76.9 | Confident | 86.6 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -110.2 | -23.3 | -167.4 | -54.3 | -34 | 0 | 0 | 0 | 115.3 | L30 R32 L132 T134 F367 Y371 I378 C426 | L30-W430 WeakPolarHBondContact CB-O 3.31Å; R32-W430 HydrophobicContact CB-CD2 4.42Å; R32-W430 HydrophobicContact CB-CG 4.29Å; R32-W430 HydrophobicContact CG-CD2 3.87Å; R32-W430 HydrophobicContact CG-CE3 4.11Å; R32-W430 HydrophobicContact CG-CG 4.25Å; R32-W430 HydrophobicContact CG-CZ2 4.32Å; R32-W430 HydrophobicContact CG-CZ3 4.42Å; L132-W430 HydrophobicContact CB-CE3 4.29Å; L132-W430 HydrophobicContact CD1-CE3 4.1Å; T134-W430 HydrophobicContact CG2-CB 3.98Å; F367-W430 HydrophobicContact CE1-CH2 4.07Å; F367-W430 HydrophobicContact CE1-CZ3 4.43Å; F367-W430 HydrophobicContact CZ-CH2 4.18Å; Y371-W430 HydrophobicContact CD1-CZ2 4.05Å; Y371-W430 HydrophobicContact CD2-CH2 4.42Å; Y371-W430 HydrophobicContact CD2-CZ2 4.33Å; Y371-W430 HydrophobicContact CE1-CH2 4.42Å; Y371-W430 AromaticContact CE1-CZ2 3.53Å; Y371-W430 HydrophobicContact CE1-CZ2 3.53Å; Y371-W430 HydrophobicContact CE2-CH2 4.21Å; Y371-W430 AromaticContact CE2-CZ2 3.82Å; Y371-W430 HydrophobicContact CE2-CZ2 3.82Å; Y371-W430 HydrophobicContact CG-CZ2 4.45Å; Y371-W430 AromaticContact CZ-CE2 3.95Å; Y371-W430 AromaticContact CZ-CZ2 3.41Å; Y371-W430 VanDerWaalsContact CZ-CZ2 3.41Å; Y371-W430 PolarHBondContact OH-NE1 3.31Å; I378-W430 HydrophobicContact CD1-CZ2 4.29Å; I378-W430 HydrophobicContact CG1-CZ2 4.49Å; C426-W430 HydrophobicContact CB-CD2 4.36Å; C426-W430 HydrophobicContact CB-CE3 3.69Å; C426-W430 HydrophobicContact CB-CH2 3.99Å; C426-W430 HydrophobicContact CB-CZ3 3.5Å; C426-W430 PolarHBondContact O-N 2.95Å; C426-W430 VanDerWaalsContact SG-CH2 3.6Å |
| 431 | A | 67.7 | Low | 86.8 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -115.6 | 9.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R427 | R427-A431 HydrophobicContact CG-CB 4.23Å; R427-A431 PolarHBondContact O-N 2.83Å |
| 432 | R | 73.2 | Confident | 86.9 | Confident | 169 Ų | 169 | 40.6 Ų | 40.6 | 64% | 0.638 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -134.1 | 140.5 | -179.8 | -68.7 | -172.3 | 175.8 | 177.9 | 0.5 | 112.7 | L30 | L30-R432 WeakPolarHBondContact CD2-O 3.42Š|
| 433 | F | 79.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 42.4 Ų | 42.4 | 20% | 0.197 | 25% | 0.245 | C | C | . | . | trans | -63 | 148 | 169.6 | -57.8 | -62.3 | 0 | 0 | 0 | 111.2 | G27 F28 L30 P435 M438 R1031 W1037 | G27-F433 WeakPolarHBondContact O-CA 3.4Å; F28-F433 HydrophobicContact CD2-CD1 4.3Å; F28-F433 HydrophobicContact CD2-CE1 4.02Å; F28-F433 HydrophobicContact CE2-CE1 4.15Å; F28-F433 VanDerWaalsContact O-CD1 3.22Å; F28-F433 WeakPolarHBondContact O-CD1 3.21Å; F28-F433 WeakPolarHBondContact O-CE1 3.24Å; L30-F433 HydrophobicContact CD2-CD1 4.46Å; F433-P435 WeakPolarHBondContact O-CD 3.36Å; F433-M438 HydrophobicContact CB-SD 3.97Å; F433-M438 HydrophobicContact CG-SD 4.42Å; F433-R1031 HydrophobicContact CE2-CB 4.13Å; F433-R1031 HydrophobicContact CE2-CG 4.2Å; F433-R1031 HydrophobicContact CZ-CB 4.1Å; F433-W1037 AromaticContact CE1-CH2 3.93Å; F433-W1037 HydrophobicContact CE1-CH2 3.93Å; F433-W1037 AromaticContact CE1-CZ2 3.93Å; F433-W1037 HydrophobicContact CE1-CZ2 3.93Å; F433-W1037 HydrophobicContact CZ-CH2 4.35Å; F433-W1037 AromaticContact CZ-CZ2 3.89Å; F433-W1037 HydrophobicContact CZ-CZ2 3.89Å | ||
| 434 | N | 84.9 | Confident | 87.4 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | trans | -100.4 | 92 | 167.7 | -170.9 | -44.2 | 0 | 0 | 0 | 109.7 | G27 A436 K437 M438 | G27-N434 PolarHBondContact O-N 2.93Å; N434-A436 PolarHBondContact O-N 3.32Å; N434-A436 PolarHBondContact OD1-N 3.47Å; N434-K437 HydrophobicContact CB-CB 4.14Å; N434-K437 HydrophobicContact CB-CD 4.2Å; N434-K437 HydrophobicContact CB-CG 4.3Å; N434-K437 PolarHBondContact O-N 2.97Å; N434-K437 PolarHBondContact OD1-N 2.77Å; N434-M438 WeakPolarHBondContact O-CG 3.43Å; N434-M438 PolarHBondContact O-N 3.07Å | ||
| 435 | P | 88.6 | Confident | 87.8 | Confident | 95 Ų | 95 | 38.2 Ų | 38.2 | 62% | 0.617 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -63.3 | -26.9 | -175.1 | 24 | -33.5 | 0 | 0 | 0 | 112.7 | F433 A439 | F433-P435 WeakPolarHBondContact O-CD 3.36Å; P435-A439 VanDerWaalsContact O-CB 3.23Å; P435-A439 WeakPolarHBondContact O-CB 3.42Å; P435-A439 PolarHBondContact O-N 3.29Å |
| 436 | A | 90.9 | Very high | 88.1 | Confident | 50 Ų | 50 | 41 Ų | 41 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.7 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | N434 A439 A440 W499 | N434-A436 PolarHBondContact O-N 3.32Å; N434-A436 PolarHBondContact OD1-N 3.47Å; A436-A439 PolarHBondContact O-N 3.35Å; A436-A440 WeakPolarHBondContact O-CB 3.22Å; A436-A440 PolarHBondContact O-N 2.9Å; A436-W499 HydrophobicContact CB-CH2 3.62Å; A436-W499 HydrophobicContact CB-CZ2 4.14Å |
| 437 | K | 91.4 | Very high | 88.6 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 22% | 0.222 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 172.9 | -74.3 | -177.1 | -177.7 | 176.1 | 0 | 111.5 | N434 A440 G441 W499 | N434-K437 HydrophobicContact CB-CB 4.14Å; N434-K437 HydrophobicContact CB-CD 4.2Å; N434-K437 HydrophobicContact CB-CG 4.3Å; N434-K437 PolarHBondContact O-N 2.97Å; N434-K437 PolarHBondContact OD1-N 2.77Å; K437-A440 PolarHBondContact O-N 3.39Å; K437-G441 PolarHBondContact O-N 2.98Å; K437-W499 HydrophobicContact CG-CH2 4.28Å; K437-W499 HydrophobicContact CG-CZ2 3.97Å |
| 438 | M | 94.4 | Very high | 89.3 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 174.9 | -68 | 173.5 | 69.1 | 0 | 0 | 111.9 | F24 F28 F433 N434 A440 G441 L442 A1028 | F24-M438 HydrophobicContact CD2-CB 3.96Å; F24-M438 HydrophobicContact CD2-CG 4.25Å; F24-M438 WeakPolarHBondContact CD2-O 3.2Å; F24-M438 HydrophobicContact CE2-CB 3.9Å; F24-M438 HydrophobicContact CE2-CE 3.77Å; F24-M438 HydrophobicContact CE2-CG 4.11Å; F24-M438 HydrophobicContact CZ-CE 3.79Å; F28-M438 HydrophobicContact CB-CE 4.4Å; F28-M438 HydrophobicContact CB-CG 4.29Å; F28-M438 HydrophobicContact CB-SD 4.39Å; F28-M438 HydrophobicContact CD2-CE 3.88Å; F433-M438 HydrophobicContact CB-SD 3.97Å; F433-M438 HydrophobicContact CG-SD 4.42Å; N434-M438 WeakPolarHBondContact O-CG 3.43Å; N434-M438 PolarHBondContact O-N 3.07Å; M438-A440 PolarHBondContact O-N 3.16Å; M438-G441 PolarHBondContact O-N 3.43Å; M438-L442 WeakPolarHBondContact O-CB 3.47Å; M438-L442 PolarHBondContact O-N 3Å; M438-A1028 HydrophobicContact CE-CB 4.23Å |
| 439 | A | 95.9 | Very high | 90 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P435 A436 L442 A443 | P435-A439 VanDerWaalsContact O-CB 3.23Å; P435-A439 WeakPolarHBondContact O-CB 3.42Å; P435-A439 PolarHBondContact O-N 3.29Å; A436-A439 PolarHBondContact O-N 3.35Å; A439-L442 PolarHBondContact O-N 3.41Å; A439-A443 WeakPolarHBondContact O-CB 3.3Å; A439-A443 PolarHBondContact O-N 3.2Å |
| 440 | A | 96.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L23 A436 K437 M438 A443 V444 W499 A502 | L23-A440 HydrophobicContact CD1-CB 4.5Å; A436-A440 WeakPolarHBondContact O-CB 3.22Å; A436-A440 PolarHBondContact O-N 2.9Å; K437-A440 PolarHBondContact O-N 3.39Å; M438-A440 PolarHBondContact O-N 3.16Å; A440-A443 PolarHBondContact O-N 2.89Å; A440-V444 WeakPolarHBondContact O-CG2 3.36Å; A440-V444 PolarHBondContact O-N 2.93Å; A440-W499 HydrophobicContact CB-CZ3 4.08Å; A440-A502 HydrophobicContact CB-CB 4.43Å |
| 441 | G | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G20 K437 M438 A443 V444 L445 | G20-G441 WeakPolarHBondContact O-CA 3.4Å; K437-G441 PolarHBondContact O-N 2.98Å; M438-G441 PolarHBondContact O-N 3.43Å; G441-A443 VanDerWaalsContact C-N 3.33Å; G441-A443 PolarHBondContact O-N 3.37Å; G441-V444 PolarHBondContact O-N 3.49Å; G441-L445 WeakPolarHBondContact O-CB 3.2Å; G441-L445 VanDerWaalsContact O-CG 3.29Å; G441-L445 WeakPolarHBondContact O-CG 3.23Å; G441-L445 PolarHBondContact O-N 2.85Å |
| 442 | L | 96.9 | Very high | 93 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 174.1 | -86.8 | 163 | 0 | 0 | 0 | 112.4 | F24 M438 A439 T446 F1021 V1024 A1028 | F24-L442 HydrophobicContact CD2-CG 4.12Å; F24-L442 HydrophobicContact CE2-CD1 4.16Å; F24-L442 HydrophobicContact CE2-CG 4.15Å; M438-L442 WeakPolarHBondContact O-CB 3.47Å; M438-L442 PolarHBondContact O-N 3Å; A439-L442 PolarHBondContact O-N 3.41Å; L442-T446 WeakPolarHBondContact O-CB 3.42Å; L442-T446 PolarHBondContact O-N 2.97Å; L442-T446 PolarHBondContact O-OG1 2.86Å; L442-F1021 HydrophobicContact CD2-CE2 4.23Å; L442-V1024 HydrophobicContact CD2-CG1 3.61Å; L442-V1024 HydrophobicContact CG-CG1 3.93Å; L442-A1028 HydrophobicContact CD1-CB 4.11Å |
| 443 | A | 96.8 | Very high | 93.9 | Very high | 39 Ų | 39 | 34.6 Ų | 34.6 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.2 | -50.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A439 A440 G441 L445 T446 F447 | A439-A443 WeakPolarHBondContact O-CB 3.3Å; A439-A443 PolarHBondContact O-N 3.2Å; A440-A443 PolarHBondContact O-N 2.89Å; G441-A443 VanDerWaalsContact C-N 3.33Å; G441-A443 PolarHBondContact O-N 3.37Å; A443-L445 PolarHBondContact O-N 3.33Å; A443-T446 WeakPolarHBondContact O-CB 3.43Å; A443-T446 PolarHBondContact O-N 3.3Å; A443-F447 WeakPolarHBondContact O-CD2 3.11Å; A443-F447 PolarHBondContact O-N 3.35Å; A443-F447 VanDerWaalsContact O-N 3.09Å |
| 444 | V | 97.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | A16 V19 L23 A440 G441 T446 F447 A448 A505 | A16-V444 WeakPolarHBondContact O-CG1 3.32Å; V19-V444 HydrophobicContact CG1-CG1 4.45Å; L23-V444 HydrophobicContact CD1-CG2 4.22Å; A440-V444 WeakPolarHBondContact O-CG2 3.36Å; A440-V444 PolarHBondContact O-N 2.93Å; G441-V444 PolarHBondContact O-N 3.49Å; V444-T446 VanDerWaalsContact C-N 3.31Å; V444-T446 PolarHBondContact O-N 3.42Å; V444-F447 PolarHBondContact O-N 2.95Å; V444-A448 WeakPolarHBondContact O-CB 3.43Å; V444-A448 PolarHBondContact O-N 3.23Å; V444-A505 HydrophobicContact CG1-CB 4.11Å; V444-A505 HydrophobicContact CG2-CB 4.32Å |
| 445 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -35.1 | 178.6 | -70 | 172.2 | 0 | 0 | 0 | 113.3 | Y17 I21 G441 A443 A448 C449 F1021 V1024 | Y17-L445 HydrophobicContact CD1-CD2 3.71Å; Y17-L445 HydrophobicContact CE1-CD2 4.42Å; I21-L445 HydrophobicContact CG1-CD2 4.15Å; G441-L445 WeakPolarHBondContact O-CB 3.2Å; G441-L445 VanDerWaalsContact O-CG 3.29Å; G441-L445 WeakPolarHBondContact O-CG 3.23Å; G441-L445 PolarHBondContact O-N 2.85Å; A443-L445 PolarHBondContact O-N 3.33Å; L445-A448 PolarHBondContact O-N 2.95Å; L445-C449 WeakPolarHBondContact O-CB 3.46Å; L445-C449 PolarHBondContact O-N 3.23Å; L445-C449 PolarHBondContact O-SG 3.32Å; L445-F1021 HydrophobicContact CB-CD2 3.94Å; L445-V1024 HydrophobicContact CD1-CB 4.23Å; L445-V1024 HydrophobicContact CD1-CG1 4.07Å; L445-V1024 HydrophobicContact CD1-CG2 3.82Å |
| 446 | T | 96.6 | Very high | 94.8 | Very high | 66 Ų | 66 | 26.4 Ų | 26.4 | 41% | 0.405 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | L442 A443 V444 A448 L450 F1021 | L442-T446 WeakPolarHBondContact O-CB 3.42Å; L442-T446 PolarHBondContact O-N 2.97Å; L442-T446 PolarHBondContact O-OG1 2.86Å; A443-T446 WeakPolarHBondContact O-CB 3.43Å; A443-T446 PolarHBondContact O-N 3.3Å; V444-T446 VanDerWaalsContact C-N 3.31Å; V444-T446 PolarHBondContact O-N 3.42Å; T446-A448 VanDerWaalsContact C-N 3.34Å; T446-L450 PolarHBondContact O-N 3.03Å; T446-L450 VanDerWaalsContact O-N 3.07Å; T446-F1021 VanDerWaalsContact OG1-CE2 3.28Å; T446-F1021 WeakPolarHBondContact OG1-CE2 3.18Å |
| 447 | F | 96.4 | Very high | 94.6 | Very high | 59 Ų | 59 | 25.6 Ų | 25.6 | 26% | 0.259 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.6 | -36.1 | 176.8 | -83.8 | -108.3 | 0 | 0 | 0 | 111.7 | A443 V444 L450 A451 F506 E509 A510 L513 | A443-F447 WeakPolarHBondContact O-CD2 3.11Å; A443-F447 PolarHBondContact O-N 3.35Å; A443-F447 VanDerWaalsContact O-N 3.09Å; V444-F447 PolarHBondContact O-N 2.95Å; F447-L450 PolarHBondContact O-N 3.08Å; F447-A451 VanDerWaalsContact O-CB 3.27Å; F447-A451 WeakPolarHBondContact O-CB 3.47Å; F447-A451 PolarHBondContact O-N 3.25Å; F447-F506 HydrophobicContact CD1-CE2 4.35Å; F447-F506 HydrophobicContact CD2-CD2 4.29Å; F447-F506 AromaticContact CD2-CE2 3.91Å; F447-F506 HydrophobicContact CD2-CE2 3.91Å; F447-F506 AromaticContact CE1-CE2 3.98Å; F447-F506 HydrophobicContact CE1-CE2 3.98Å; F447-F506 HydrophobicContact CE1-CZ 4.3Å; F447-F506 HydrophobicContact CE2-CD2 4.31Å; F447-F506 AromaticContact CE2-CE2 3.49Å; F447-F506 HydrophobicContact CE2-CE2 3.49Å; F447-F506 VanDerWaalsContact CE2-CE2 3.49Å; F447-F506 HydrophobicContact CE2-CZ 4.27Å; F447-F506 HydrophobicContact CG-CD2 4.46Å; F447-F506 HydrophobicContact CG-CE2 4.33Å; F447-F506 HydrophobicContact CZ-CD2 4.49Å; F447-F506 AromaticContact CZ-CE2 3.53Å; F447-F506 HydrophobicContact CZ-CE2 3.53Å; F447-F506 AromaticContact CZ-CZ 3.89Å; F447-F506 HydrophobicContact CZ-CZ 3.89Å; F447-E509 VanDerWaalsContact C-OE1 3.25Å; F447-E509 HydrophobicContact CB-CB 4.08Å; F447-E509 HydrophobicContact CD1-CB 4.45Å; F447-A510 HydrophobicContact CE1-CB 4.4Å; F447-L513 HydrophobicContact CD1-CD1 3.67Å; F447-L513 HydrophobicContact CE1-CD1 4.2Å |
| 448 | A | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.5 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A16 Y17 V444 L445 T446 L450 A451 C452 E509 | A16-A448 HydrophobicContact CB-CB 4.33Å; Y17-A448 HydrophobicContact CD1-CB 3.97Å; Y17-A448 HydrophobicContact CD2-CB 4.09Å; Y17-A448 HydrophobicContact CE1-CB 3.92Å; Y17-A448 HydrophobicContact CE2-CB 4.06Å; Y17-A448 HydrophobicContact CG-CB 4.05Å; V444-A448 WeakPolarHBondContact O-CB 3.43Å; V444-A448 PolarHBondContact O-N 3.23Å; L445-A448 PolarHBondContact O-N 2.95Å; T446-A448 VanDerWaalsContact C-N 3.34Å; A448-L450 VanDerWaalsContact C-N 3.35Å; A448-L450 PolarHBondContact O-N 2.84Å; A448-A451 PolarHBondContact O-N 2.77Å; A448-C452 WeakPolarHBondContact O-CB 3.18Å; A448-C452 PolarHBondContact O-N 2.97Å; A448-E509 WeakPolarHBondContact CA-OE1 3.5Å; A448-E509 VanDerWaalsContact CB-OE1 3.3Å; A448-E509 WeakPolarHBondContact CB-OE1 3.44Å; A448-E509 PolarHBondContact N-OE1 2.69Å |
| 449 | C | 95.8 | Very high | 94.2 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 10% | 0.101 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 173 | -77.4 | 0 | 0 | 0 | 0 | 112.2 | Y17 L445 C452 F453 F1014 | Y17-C449 VanDerWaalsContact OH-CA 3.26Å; Y17-C449 WeakPolarHBondContact OH-CA 3.33Å; Y17-C449 PolarHBondContact OH-N 3.24Å; Y17-C449 PolarHBondContact OH-SG 3Å; L445-C449 WeakPolarHBondContact O-CB 3.46Å; L445-C449 PolarHBondContact O-N 3.23Å; L445-C449 PolarHBondContact O-SG 3.32Å; C449-C452 PolarHBondContact O-N 3.39Å; C449-F453 WeakPolarHBondContact O-CB 3.23Å; C449-F453 PolarHBondContact O-N 3.45Å; C449-F1014 WeakPolarHBondContact O-CD2 3.1Å |
| 450 | L | 94.4 | Very high | 93.6 | Very high | 89 Ų | 89 | 23.5 Ų | 23.5 | 47% | 0.466 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 177.1 | -177.8 | 59.7 | 0 | 0 | 0 | 111.7 | T446 F447 A448 F453 V454 L513 | T446-L450 PolarHBondContact O-N 3.03Å; T446-L450 VanDerWaalsContact O-N 3.07Å; F447-L450 PolarHBondContact O-N 3.08Å; A448-L450 VanDerWaalsContact C-N 3.35Å; A448-L450 PolarHBondContact O-N 2.84Å; L450-F453 PolarHBondContact O-N 3.16Å; L450-V454 HydrophobicContact CD1-CG2 4.19Å; L450-V454 WeakPolarHBondContact O-CB 3.25Å; L450-V454 VanDerWaalsContact O-CG2 3.26Å; L450-V454 WeakPolarHBondContact O-CG2 2.92Å; L450-V454 PolarHBondContact O-N 3.4Å; L450-L513 HydrophobicContact CB-CD1 4.45Å; L450-L513 HydrophobicContact CD2-CD1 3.78Å; L450-L513 HydrophobicContact CD2-CD2 4.33Å; L450-L513 HydrophobicContact CG-CD1 4.11Å; L450-L513 HydrophobicContact CG-CD2 3.94Å |
| 451 | A | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | W12 L13 F447 A448 V454 M455 F512 L513 | W12-A451 HydrophobicContact CH2-CB 4.09Å; W12-A451 HydrophobicContact CZ3-CB 4.35Å; L13-A451 HydrophobicContact CD1-CB 4.41Å; F447-A451 VanDerWaalsContact O-CB 3.27Å; F447-A451 WeakPolarHBondContact O-CB 3.47Å; F447-A451 PolarHBondContact O-N 3.25Å; A448-A451 PolarHBondContact O-N 2.77Å; A451-V454 PolarHBondContact O-N 2.87Å; A451-M455 WeakPolarHBondContact O-CB 3.1Å; A451-M455 PolarHBondContact O-N 2.7Å; A451-F512 HydrophobicContact CB-CD1 4.02Å; A451-F512 HydrophobicContact CB-CE1 4.12Å; A451-L513 HydrophobicContact CB-CD2 4.19Å; A451-L513 HydrophobicContact CB-CG 4.46Å |
| 452 | C | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 175.3 | -168.3 | 0 | 0 | 0 | 0 | 111.5 | L13 Y17 A448 C449 M455 S456 T1010 F1014 | L13-C452 HydrophobicContact CD1-CB 3.97Å; L13-C452 HydrophobicContact CD2-CB 3.87Å; L13-C452 VanDerWaalsContact CD2-SG 3.58Å; L13-C452 HydrophobicContact CG-CB 4.44Å; Y17-C452 HydrophobicContact CE2-CB 4.23Å; A448-C452 WeakPolarHBondContact O-CB 3.18Å; A448-C452 PolarHBondContact O-N 2.97Å; C449-C452 PolarHBondContact O-N 3.39Å; C452-M455 PolarHBondContact O-N 3.07Å; C452-S456 PolarHBondContact O-N 3.06Å; C452-T1010 PolarHBondContact SG-O 3.39Å; C452-F1014 HydrophobicContact CB-CB 4.44Å; C452-F1014 HydrophobicContact CB-CD2 4.37Å; C452-F1014 VanDerWaalsContact SG-CA 3.53Å; C452-F1014 PolarHBondContact SG-N 2.82Å |
| 453 | F | 92.3 | Very high | 91.7 | Very high | 28 Ų | 28 | 23.8 Ų | 23.8 | 12% | 0.123 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.7 | -51.2 | 177.6 | -177.9 | -96.9 | 0 | 0 | 0 | 111.4 | C449 L450 M455 S456 E457 L534 W896 F1014 | C449-F453 WeakPolarHBondContact O-CB 3.23Å; C449-F453 PolarHBondContact O-N 3.45Å; L450-F453 PolarHBondContact O-N 3.16Å; F453-M455 VanDerWaalsContact C-N 3.3Å; F453-M455 PolarHBondContact O-N 3.38Å; F453-S456 PolarHBondContact O-N 3.03Å; F453-S456 PolarHBondContact O-OG 3.46Å; F453-E457 HydrophobicContact CD1-CG 4.38Å; F453-E457 HydrophobicContact CE1-CG 3.96Å; F453-E457 HydrophobicContact CE2-CG 4.43Å; F453-E457 HydrophobicContact CZ-CG 3.99Å; F453-E457 WeakPolarHBondContact O-CB 3.46Å; F453-E457 WeakPolarHBondContact O-CG 3.42Å; F453-E457 PolarHBondContact O-N 2.91Å; F453-L534 HydrophobicContact CE1-CD2 4.12Å; F453-W896 AromaticContact CD2-CH2 3.87Å; F453-W896 HydrophobicContact CD2-CH2 3.87Å; F453-W896 AromaticContact CD2-CZ2 3.93Å; F453-W896 HydrophobicContact CD2-CZ2 3.93Å; F453-W896 HydrophobicContact CE2-CH2 4.05Å; F453-W896 AromaticContact CE2-CZ2 3.66Å; F453-W896 HydrophobicContact CE2-CZ2 3.66Å; F453-F1014 HydrophobicContact CB-CD2 3.86Å; F453-F1014 HydrophobicContact CB-CE2 3.77Å; F453-F1014 HydrophobicContact CB-CZ 4.47Å; F453-F1014 HydrophobicContact CD2-CE1 4.3Å; F453-F1014 HydrophobicContact CD2-CE2 4.22Å; F453-F1014 HydrophobicContact CD2-CZ 4.11Å; F453-F1014 HydrophobicContact CG-CE2 4.39Å |
| 454 | V | 90.9 | Very high | 90.8 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 179.3 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | L450 A451 E457 L458 L513 A516 | L450-V454 HydrophobicContact CD1-CG2 4.19Å; L450-V454 WeakPolarHBondContact O-CB 3.25Å; L450-V454 VanDerWaalsContact O-CG2 3.26Å; L450-V454 WeakPolarHBondContact O-CG2 2.92Å; L450-V454 PolarHBondContact O-N 3.4Å; A451-V454 PolarHBondContact O-N 2.87Å; V454-E457 PolarHBondContact O-N 3.45Å; V454-L458 HydrophobicContact CG1-CD1 3.73Å; V454-L458 HydrophobicContact CG1-CG 4.31Å; V454-L458 WeakPolarHBondContact O-CB 3.19Å; V454-L458 PolarHBondContact O-N 3.17Å; V454-L513 HydrophobicContact CB-CD2 4.3Å; V454-L513 HydrophobicContact CG2-CD2 4.12Å; V454-A516 HydrophobicContact CG1-CB 3.74Å |
| 455 | M | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.2 | -171.4 | -177 | -62.4 | 0 | 0 | 112.1 | L9 W12 L13 A451 C452 F453 E457 L458 S459 L462 F512 L1006 T1010 | L9-M455 HydrophobicContact CB-CE 4.23Å; L9-M455 HydrophobicContact CB-SD 3.96Å; L9-M455 HydrophobicContact CD2-CE 4.1Å; W12-M455 HydrophobicContact CE3-CE 3.77Å; W12-M455 HydrophobicContact CZ3-CE 3.59Å; L13-M455 HydrophobicContact CD2-SD 4.49Å; A451-M455 WeakPolarHBondContact O-CB 3.1Å; A451-M455 PolarHBondContact O-N 2.7Å; C452-M455 PolarHBondContact O-N 3.07Å; F453-M455 VanDerWaalsContact C-N 3.3Å; F453-M455 PolarHBondContact O-N 3.38Å; M455-E457 PolarHBondContact O-N 3.1Å; M455-L458 PolarHBondContact O-N 3.47Å; M455-S459 WeakPolarHBondContact O-CA 3.42Å; M455-S459 PolarHBondContact O-N 3.36Å; M455-L462 HydrophobicContact CB-CD1 4.38Å; M455-L462 HydrophobicContact CG-CD1 3.84Å; M455-F512 HydrophobicContact CB-CZ 4.29Å; M455-F512 HydrophobicContact CE-CE1 4.39Å; M455-F512 HydrophobicContact CE-CE2 4.29Å; M455-F512 HydrophobicContact CE-CZ 3.83Å; M455-L1006 HydrophobicContact CG-CD1 4.47Å; M455-L1006 HydrophobicContact CG-CD2 4.38Å; M455-L1006 HydrophobicContact CG-CG 4.5Å; M455-L1006 HydrophobicContact SD-CD1 3.95Å; M455-T1010 HydrophobicContact CB-CG2 4.22Å; M455-T1010 HydrophobicContact CG-CG2 3.84Å; M455-T1010 HydrophobicContact SD-CG2 3.49Å; M455-T1010 WeakPolarHBondContact SD-CG2 3.39Å |
| 456 | S | 91.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -35.8 | 176.9 | 79.8 | 0 | 0 | 0 | 0 | 112.7 | C452 F453 S459 Q1007 T1010 | C452-S456 PolarHBondContact O-N 3.06Å; F453-S456 PolarHBondContact O-N 3.03Å; F453-S456 PolarHBondContact O-OG 3.46Å; S456-S459 PolarHBondContact O-OG 2.83Å; S456-Q1007 WeakPolarHBondContact O-CG 3.31Å; S456-Q1007 PolarHBondContact O-NE2 3.41Å; S456-Q1007 VanDerWaalsContact O-NE2 3.17Å; S456-T1010 WeakPolarHBondContact CA-OG1 3.1Å; S456-T1010 WeakPolarHBondContact CB-OG1 3.38Å; S456-T1010 PolarHBondContact N-OG1 3.35Å |
| 457 | E | 86.9 | Confident | 85.5 | Confident | 33 Ų | 33 | 49 Ų | 49 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -83.1 | -32.4 | -174.4 | -82.9 | -46 | 120.8 | 0 | 0 | 112 | F453 V454 M455 W532 R1011 | F453-E457 HydrophobicContact CD1-CG 4.38Å; F453-E457 HydrophobicContact CE1-CG 3.96Å; F453-E457 HydrophobicContact CE2-CG 4.43Å; F453-E457 HydrophobicContact CZ-CG 3.99Å; F453-E457 WeakPolarHBondContact O-CB 3.46Å; F453-E457 WeakPolarHBondContact O-CG 3.42Å; F453-E457 PolarHBondContact O-N 2.91Å; V454-E457 PolarHBondContact O-N 3.45Å; M455-E457 PolarHBondContact O-N 3.1Å; E457-W532 HydrophobicContact CB-CH2 3.29Å; E457-W532 HydrophobicContact CB-CZ2 3.51Å; E457-W532 HydrophobicContact CB-CZ3 4.45Å; E457-W532 HydrophobicContact CG-CH2 3.93Å; E457-W532 HydrophobicContact CG-CZ2 3.79Å; E457-W532 WeakPolarHBondContact O-CH2 3.2Å; E457-W532 WeakPolarHBondContact O-CZ3 3.28Å; E457-W532 VanDerWaalsContact OE2-CH2 3.29Å; E457-W532 WeakPolarHBondContact OE2-CH2 3.34Å; E457-W532 WeakPolarHBondContact OE2-CZ2 3.21Å; E457-R1011 IonicContact OE1-CZ 2.71Å; E457-R1011 IonicContact OE1-NE 3.03Å; E457-R1011 IonicContact OE1-NH2 2.76Å; E457-R1011 PolarHBondContact OE1-NH2 2.92Å |
| 458 | L | 87.4 | Confident | 83.6 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -103.3 | 11.2 | 177.8 | -61.9 | -179.8 | 0 | 0 | 0 | 114.5 | V454 M455 A460 V461 L462 A516 W532 | V454-L458 HydrophobicContact CG1-CD1 3.73Å; V454-L458 HydrophobicContact CG1-CG 4.31Å; V454-L458 WeakPolarHBondContact O-CB 3.19Å; V454-L458 PolarHBondContact O-N 3.17Å; M455-L458 PolarHBondContact O-N 3.47Å; L458-A460 VanDerWaalsContact C-N 3.29Å; L458-A460 PolarHBondContact O-N 3.41Å; L458-A460 VanDerWaalsContact O-N 3.14Å; L458-V461 PolarHBondContact O-N 3.39Å; L458-L462 HydrophobicContact CB-CD1 4.18Å; L458-L462 HydrophobicContact CB-CG 4.17Å; L458-L462 WeakPolarHBondContact O-CG 3.5Å; L458-L462 PolarHBondContact O-N 3.48Å; L458-A516 HydrophobicContact CD1-CB 3.91Å; L458-W532 HydrophobicContact CD2-CE3 4.12Å; L458-W532 HydrophobicContact CD2-CH2 4.32Å; L458-W532 HydrophobicContact CD2-CZ3 3.69Å |
| 459 | S | 88.3 | Confident | 82.3 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -49.3 | -39.9 | -175.1 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | M455 S456 T463 A1003 | M455-S459 WeakPolarHBondContact O-CA 3.42Å; M455-S459 PolarHBondContact O-N 3.36Å; S456-S459 PolarHBondContact O-OG 2.83Å; S459-T463 WeakPolarHBondContact O-CG2 3.47Å; S459-T463 PolarHBondContact O-N 3.46Å; S459-T463 PolarHBondContact O-OG1 3.22Å; S459-A1003 WeakPolarHBondContact CB-O 3.24Å |
| 460 | A | 84.5 | Confident | 81.7 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L458 T463 E464 A1003 | L458-A460 VanDerWaalsContact C-N 3.29Å; L458-A460 PolarHBondContact O-N 3.41Å; L458-A460 VanDerWaalsContact O-N 3.14Å; A460-T463 PolarHBondContact O-N 3.24Å; A460-T463 PolarHBondContact O-OG1 2.96Å; A460-T463 VanDerWaalsContact O-OG1 3.06Å; A460-E464 WeakPolarHBondContact O-CG 3.46Å; A460-E464 PolarHBondContact O-N 3.35Å; A460-A1003 HydrophobicContact CB-CB 4.19Å |
| 461 | V | 83.9 | Confident | 81.4 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 35% | 0.352 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | -179.8 | -178.6 | 0 | 0 | 0 | 0 | 111 | L458 T463 E464 E465 | L458-V461 PolarHBondContact O-N 3.39Å; V461-T463 VanDerWaalsContact C-N 3.27Å; V461-T463 PolarHBondContact O-N 3.24Å; V461-E464 PolarHBondContact O-N 3.45Å; V461-E465 PolarHBondContact O-N 3Å; V461-E465 VanDerWaalsContact O-N 3.09Å |
| 462 | L | 84.4 | Confident | 81.2 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -29.8 | -178.4 | -67.2 | 175.3 | 0 | 0 | 0 | 113.1 | M455 L458 A468 F512 | M455-L462 HydrophobicContact CB-CD1 4.38Å; M455-L462 HydrophobicContact CG-CD1 3.84Å; L458-L462 HydrophobicContact CB-CD1 4.18Å; L458-L462 HydrophobicContact CB-CG 4.17Å; L458-L462 WeakPolarHBondContact O-CG 3.5Å; L458-L462 PolarHBondContact O-N 3.48Å; L462-A468 HydrophobicContact CD2-CB 3.89Å; L462-F512 HydrophobicContact CD1-CZ 4.18Å; L462-F512 HydrophobicContact CD2-CE2 4.5Å |
| 463 | T | 81.8 | Confident | 81 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -86.1 | -21.9 | 178 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | K2 S459 A460 V461 L1006 | K2-T463 VanDerWaalsContact CD-O 3.29Å; K2-T463 WeakPolarHBondContact CD-O 3.24Å; K2-T463 PolarHBondContact NZ-O 3.4Å; S459-T463 WeakPolarHBondContact O-CG2 3.47Å; S459-T463 PolarHBondContact O-N 3.46Å; S459-T463 PolarHBondContact O-OG1 3.22Å; A460-T463 PolarHBondContact O-N 3.24Å; A460-T463 PolarHBondContact O-OG1 2.96Å; A460-T463 VanDerWaalsContact O-OG1 3.06Å; V461-T463 VanDerWaalsContact C-N 3.27Å; V461-T463 PolarHBondContact O-N 3.24Å; T463-L1006 HydrophobicContact CG2-CD2 3.92Å |
| 464 | E | 77.4 | Confident | 81 | Confident | 120 Ų | 120 | 55.7 Ų | 55.7 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -80 | -49.5 | 175.4 | -75.2 | -176.4 | 174.3 | 0 | 0 | 112.5 | K2 A460 V461 K466 | K2-E464 PolarHBondContact NZ-O 2.73Å; A460-E464 WeakPolarHBondContact O-CG 3.46Å; A460-E464 PolarHBondContact O-N 3.35Å; V461-E464 PolarHBondContact O-N 3.45Å; E464-K466 PolarHBondContact O-N 3.42Å |
| 465 | E | 67.3 | Low | 81.2 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | trans | -70.1 | 126.8 | -175.2 | -81.2 | -157.5 | 160.4 | 0 | 0 | 114 | V461 R467 A468 L519 | V461-E465 PolarHBondContact O-N 3Å; V461-E465 VanDerWaalsContact O-N 3.09Å; E465-R467 VanDerWaalsContact C-N 3.25Å; E465-R467 PolarHBondContact O-N 3.35Å; E465-A468 HydrophobicContact CB-CB 3.7Å; E465-L519 VanDerWaalsContact CD-CD2 3.5Å; E465-L519 WeakPolarHBondContact OE1-CD2 3.41Å; E465-L519 WeakPolarHBondContact OE2-CD2 3.49Å | ||
| 466 | K | 60.5 | Low | 81.4 | Confident | 206 Ų | 206 | 57.5 Ų | 57.5 | 90% | 0.896 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -69 | -21.6 | 168.3 | -72.7 | -178 | 179 | 177.1 | 0 | 113.1 | E464 | E464-K466 PolarHBondContact O-N 3.42Š|
| 467 | R | 52.8 | Low | 81.6 | Confident | 228 Ų | 228 | 58.7 Ų | 58.7 | 86% | 0.86 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -92.9 | -17.9 | -176.8 | -75 | -176.3 | 177.8 | 175.7 | -0.5 | 114.3 | E465 G469 | E465-R467 VanDerWaalsContact C-N 3.25Å; E465-R467 PolarHBondContact O-N 3.35Å; R467-G469 PolarHBondContact O-N 3.47Å; R467-G469 VanDerWaalsContact O-N 3.11Å |
| 468 | A | 57.9 | Low | 82 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -72.2 | 6.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | L462 E465 L519 | L462-A468 HydrophobicContact CD2-CB 3.89Å; E465-A468 HydrophobicContact CB-CB 3.7Å; A468-L519 HydrophobicContact CB-CD1 4.27Å |
| 469 | G | 68.8 | Low | 82.4 | Confident | 29 Ų | 29 | 66 Ų | 66 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -68.4 | 158.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R467 K471 | R467-G469 PolarHBondContact O-N 3.47Å; R467-G469 VanDerWaalsContact O-N 3.11Å; G469-K471 PolarHBondContact O-N 3.29Å; G469-K471 VanDerWaalsContact O-N 3.09Å |
| 470 | L | 84.4 | Confident | 82.9 | Confident | 20 Ų | 20 | 68.2 Ų | 68.2 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -6 | -179.1 | -73 | 172.6 | 0 | 0 | 0 | 115.8 | S8 L9 W12 G472 P473 V474 | S8-L470 WeakPolarHBondContact O-CD1 3.35Å; L9-L470 HydrophobicContact CD2-CD1 4.11Å; L9-L470 HydrophobicContact CD2-CD2 3.87Å; L9-L470 HydrophobicContact CD2-CG 3.76Å; L9-L470 HydrophobicContact CG-CD1 4.45Å; W12-L470 HydrophobicContact CB-CD1 3.58Å; W12-L470 HydrophobicContact CB-CD2 3.92Å; W12-L470 HydrophobicContact CB-CG 4.39Å; W12-L470 HydrophobicContact CD2-CD2 3.52Å; W12-L470 HydrophobicContact CE3-CD2 3.97Å; W12-L470 HydrophobicContact CG-CD1 4.08Å; W12-L470 HydrophobicContact CG-CD2 3.48Å; W12-L470 VanDerWaalsContact CG-CD2 3.48Å; W12-L470 HydrophobicContact CG-CG 4.4Å; L470-G472 PolarHBondContact O-N 3.28Å; L470-P473 WeakPolarHBondContact O-CD 2.94Å; L470-V474 HydrophobicContact CB-CG2 4.14Å; L470-V474 WeakPolarHBondContact O-CB 3.31Å; L470-V474 VanDerWaalsContact O-CG2 3.29Å; L470-V474 WeakPolarHBondContact O-CG2 2.97Å; L470-V474 PolarHBondContact O-N 3.12Å |
| 471 | K | 87.4 | Confident | 83.4 | Confident | 189 Ų | 189 | 66.3 Ų | 66.3 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -54.1 | -41.6 | -176.8 | -65.5 | -171.9 | 178.7 | -172.4 | 0 | 112.7 | G469 A475 | G469-K471 PolarHBondContact O-N 3.29Å; G469-K471 VanDerWaalsContact O-N 3.09Å; K471-A475 WeakPolarHBondContact O-CB 3.38Å; K471-A475 PolarHBondContact O-N 3.39Å |
| 472 | G | 89.7 | Confident | 84 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 13% | 0.134 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.8 | -57 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L470 V474 A475 A476 L511 | L470-G472 PolarHBondContact O-N 3.28Å; G472-V474 VanDerWaalsContact C-N 3.32Å; G472-V474 PolarHBondContact O-N 2.96Å; G472-A475 PolarHBondContact O-N 3.41Å; G472-A476 WeakPolarHBondContact O-CB 3.47Å; G472-A476 PolarHBondContact O-N 3.22Å; G472-L511 WeakPolarHBondContact O-CD2 3.43Å |
| 473 | P | 92.9 | Very high | 84.6 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.013 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -50.7 | -47.3 | 174 | -31.8 | 36.8 | 0 | 0 | 0 | 113.7 | L470 A476 A477 S508 F512 | L470-P473 WeakPolarHBondContact O-CD 2.94Å; P473-A476 WeakPolarHBondContact O-CB 3.33Å; P473-A476 PolarHBondContact O-N 3.25Å; P473-A477 PolarHBondContact O-N 2.68Å; P473-S508 VanDerWaalsContact O-CB 3.25Å; P473-S508 WeakPolarHBondContact O-CB 3.24Å; P473-F512 HydrophobicContact CB-CB 4.48Å; P473-F512 HydrophobicContact CG-CB 3.99Å |
| 474 | V | 92.6 | Very high | 85.3 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 38% | 0.382 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 178.6 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | L470 G472 A476 A477 L478 | L470-V474 HydrophobicContact CB-CG2 4.14Å; L470-V474 WeakPolarHBondContact O-CB 3.31Å; L470-V474 VanDerWaalsContact O-CG2 3.29Å; L470-V474 WeakPolarHBondContact O-CG2 2.97Å; L470-V474 PolarHBondContact O-N 3.12Å; G472-V474 VanDerWaalsContact C-N 3.32Å; G472-V474 PolarHBondContact O-N 2.96Å; V474-A476 VanDerWaalsContact C-N 3.32Å; V474-A476 PolarHBondContact O-N 2.74Å; V474-A477 PolarHBondContact O-N 2.84Å; V474-L478 HydrophobicContact CG1-CD1 4.28Å; V474-L478 WeakPolarHBondContact O-CG 3.42Å; V474-L478 PolarHBondContact O-N 2.88Å |
| 475 | A | 94.4 | Very high | 86.1 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K471 G472 A477 L478 T479 | K471-A475 WeakPolarHBondContact O-CB 3.38Å; K471-A475 PolarHBondContact O-N 3.39Å; G472-A475 PolarHBondContact O-N 3.41Å; A475-A477 PolarHBondContact O-N 3.29Å; A475-L478 PolarHBondContact O-N 3.22Å; A475-T479 WeakPolarHBondContact O-CG2 3.43Å; A475-T479 PolarHBondContact O-N 2.75Å; A475-T479 PolarHBondContact O-OG1 3.17Å |
| 476 | A | 94.9 | Very high | 87.4 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G472 P473 V474 L478 T479 V480 L511 | G472-A476 WeakPolarHBondContact O-CB 3.47Å; G472-A476 PolarHBondContact O-N 3.22Å; P473-A476 WeakPolarHBondContact O-CB 3.33Å; P473-A476 PolarHBondContact O-N 3.25Å; V474-A476 VanDerWaalsContact C-N 3.32Å; V474-A476 PolarHBondContact O-N 2.74Å; A476-L478 PolarHBondContact O-N 3.23Å; A476-T479 WeakPolarHBondContact CA-OG1 3.33Å; A476-T479 PolarHBondContact O-N 2.84Å; A476-T479 PolarHBondContact O-OG1 3.41Å; A476-T479 VanDerWaalsContact O-OG1 3.06Å; A476-V480 WeakPolarHBondContact O-CB 3.36Å; A476-V480 WeakPolarHBondContact O-CG2 3.47Å; A476-V480 PolarHBondContact O-N 2.94Å; A476-L511 HydrophobicContact CB-CD2 3.68Å |
| 477 | A | 95.4 | Very high | 89.1 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.3 | -49.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P473 V474 A475 G481 G504 | P473-A477 PolarHBondContact O-N 2.68Å; V474-A477 PolarHBondContact O-N 2.84Å; A475-A477 PolarHBondContact O-N 3.29Å; A477-G481 PolarHBondContact O-N 2.63Å; A477-G504 VanDerWaalsContact CA-O 3.3Å; A477-G504 WeakPolarHBondContact CA-O 3.3Å; A477-G504 WeakPolarHBondContact CB-O 3.22Å; A477-G504 WeakPolarHBondContact O-CA 3.31Å |
| 478 | L | 95.4 | Very high | 90.9 | Very high | 116 Ų | 116 | 49.6 Ų | 49.6 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | -179.5 | -67.8 | 174 | 0 | 0 | 0 | 111.6 | V474 A475 A476 V482 | V474-L478 HydrophobicContact CG1-CD1 4.28Å; V474-L478 WeakPolarHBondContact O-CG 3.42Å; V474-L478 PolarHBondContact O-N 2.88Å; A475-L478 PolarHBondContact O-N 3.22Å; A476-L478 PolarHBondContact O-N 3.23Å; L478-V482 WeakPolarHBondContact O-CB 3.4Å; L478-V482 VanDerWaalsContact O-CG2 3.24Å; L478-V482 WeakPolarHBondContact O-CG2 3.04Å; L478-V482 PolarHBondContact O-N 3.38Å |
| 479 | T | 96.9 | Very high | 92.5 | Very high | 89 Ų | 89 | 53.6 Ų | 53.6 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | -178.6 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | A475 A476 A483 | A475-T479 WeakPolarHBondContact O-CG2 3.43Å; A475-T479 PolarHBondContact O-N 2.75Å; A475-T479 PolarHBondContact O-OG1 3.17Å; A476-T479 WeakPolarHBondContact CA-OG1 3.33Å; A476-T479 PolarHBondContact O-N 2.84Å; A476-T479 PolarHBondContact O-OG1 3.41Å; A476-T479 VanDerWaalsContact O-OG1 3.06Å; T479-A483 VanDerWaalsContact O-CB 3.28Å; T479-A483 WeakPolarHBondContact O-CB 3.25Å; T479-A483 PolarHBondContact O-N 3.38Å |
| 480 | V | 97.1 | Very high | 93.6 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.3 | -41 | -179.3 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | A476 V482 A483 V484 A503 A507 | A476-V480 WeakPolarHBondContact O-CB 3.36Å; A476-V480 WeakPolarHBondContact O-CG2 3.47Å; A476-V480 PolarHBondContact O-N 2.94Å; V480-V482 PolarHBondContact O-N 2.89Å; V480-A483 PolarHBondContact O-N 2.94Å; V480-V484 HydrophobicContact CG1-CG2 4.42Å; V480-V484 WeakPolarHBondContact O-CB 3.31Å; V480-V484 WeakPolarHBondContact O-CG2 3.33Å; V480-V484 PolarHBondContact O-N 3.22Å; V480-A503 HydrophobicContact CG1-CB 3.87Å; V480-A507 HydrophobicContact CB-CB 3.99Å; V480-A507 HydrophobicContact CG1-CB 4.15Å; V480-A507 HydrophobicContact CG2-CB 3.73Å |
| 481 | G | 95.5 | Very high | 93.9 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A477 V484 A485 | A477-G481 PolarHBondContact O-N 2.63Å; G481-V484 PolarHBondContact O-N 3.45Å; G481-A485 WeakPolarHBondContact O-CB 3.44Å; G481-A485 PolarHBondContact O-N 3.32Å |
| 482 | V | 96.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 58.2 Ų | 58.2 | 61% | 0.606 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.7 | -40.4 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | L478 V480 V484 A485 A486 | L478-V482 WeakPolarHBondContact O-CB 3.4Å; L478-V482 VanDerWaalsContact O-CG2 3.24Å; L478-V482 WeakPolarHBondContact O-CG2 3.04Å; L478-V482 PolarHBondContact O-N 3.38Å; V480-V482 PolarHBondContact O-N 2.89Å; V482-V484 VanDerWaalsContact C-N 3.32Å; V482-V484 PolarHBondContact O-N 2.86Å; V482-A485 PolarHBondContact O-N 3.35Å; V482-A486 WeakPolarHBondContact O-CB 3.46Å; V482-A486 PolarHBondContact O-N 2.89Å |
| 483 | A | 97.1 | Very high | 93.2 | Very high | 60 Ų | 60 | 60.4 Ų | 60.4 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T479 V480 A486 A487 | T479-A483 VanDerWaalsContact O-CB 3.28Å; T479-A483 WeakPolarHBondContact O-CB 3.25Å; T479-A483 PolarHBondContact O-N 3.38Å; V480-A483 PolarHBondContact O-N 2.94Å; A483-A486 PolarHBondContact O-N 2.99Å; A483-A487 WeakPolarHBondContact O-CB 3.39Å; A483-A487 PolarHBondContact O-N 3.29Å |
| 484 | V | 95.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 26% | 0.255 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 175.1 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | V480 G481 V482 A487 Q488 A503 | V480-V484 HydrophobicContact CG1-CG2 4.42Å; V480-V484 WeakPolarHBondContact O-CB 3.31Å; V480-V484 WeakPolarHBondContact O-CG2 3.33Å; V480-V484 PolarHBondContact O-N 3.22Å; G481-V484 PolarHBondContact O-N 3.45Å; V482-V484 VanDerWaalsContact C-N 3.32Å; V482-V484 PolarHBondContact O-N 2.86Å; V484-A487 PolarHBondContact O-N 3.5Å; V484-Q488 VanDerWaalsContact CG1-NE2 3.27Å; V484-Q488 WeakPolarHBondContact O-CB 3.4Å; V484-Q488 WeakPolarHBondContact O-CG 3.34Å; V484-Q488 PolarHBondContact O-N 2.99Å; V484-A503 HydrophobicContact CB-CB 4.46Å; V484-A503 HydrophobicContact CG2-CB 3.75Å |
| 485 | A | 94.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 19% | 0.19 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G481 V482 Q488 L489 V495 | G481-A485 WeakPolarHBondContact O-CB 3.44Å; G481-A485 PolarHBondContact O-N 3.32Å; V482-A485 PolarHBondContact O-N 3.35Å; A485-Q488 PolarHBondContact O-N 3.15Å; A485-L489 WeakPolarHBondContact O-CB 3.28Å; A485-L489 PolarHBondContact O-N 2.97Å; A485-V495 HydrophobicContact CB-CG1 3.83Å; A485-V495 HydrophobicContact CB-CG2 4.31Å |
| 486 | A | 95.9 | Very high | 91.9 | Very high | 51 Ų | 51 | 64 Ų | 64 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V482 A483 Q488 L489 V490 | V482-A486 WeakPolarHBondContact O-CB 3.46Å; V482-A486 PolarHBondContact O-N 2.89Å; A483-A486 PolarHBondContact O-N 2.99Å; A486-Q488 PolarHBondContact O-N 2.96Å; A486-L489 PolarHBondContact O-N 3.15Å; A486-V490 WeakPolarHBondContact O-CG2 3.42Å; A486-V490 PolarHBondContact O-N 3.28Å |
| 487 | A | 94.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 66 Ų | 66 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A483 V484 A491 | A483-A487 WeakPolarHBondContact O-CB 3.39Å; A483-A487 PolarHBondContact O-N 3.29Å; V484-A487 PolarHBondContact O-N 3.5Å; A487-A491 VanDerWaalsContact O-CB 3.22Å; A487-A491 WeakPolarHBondContact O-CB 3.06Å; A487-A491 PolarHBondContact O-N 3.22Å |
| 488 | Q | 91.7 | Very high | 91.4 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 8% | 0.075 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175.1 | -75.2 | 179.8 | 51.3 | 0 | 0 | 112.1 | V484 A485 A486 V490 A491 R492 Y494 | V484-Q488 VanDerWaalsContact CG1-NE2 3.27Å; V484-Q488 WeakPolarHBondContact O-CB 3.4Å; V484-Q488 WeakPolarHBondContact O-CG 3.34Å; V484-Q488 PolarHBondContact O-N 2.99Å; A485-Q488 PolarHBondContact O-N 3.15Å; A486-Q488 PolarHBondContact O-N 2.96Å; Q488-V490 VanDerWaalsContact C-N 3.3Å; Q488-V490 PolarHBondContact O-N 3.22Å; Q488-A491 PolarHBondContact O-N 3.01Å; Q488-R492 WeakPolarHBondContact O-CA 3.15Å; Q488-R492 WeakPolarHBondContact O-CB 3.27Å; Q488-R492 PolarHBondContact O-N 3.14Å; Q488-Y494 CarbonylContact C-O 3.54Å |
| 489 | L | 90.3 | Very high | 91.3 | Very high | 100 Ų | 100 | 63 Ų | 63 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 178.7 | -171.2 | 67.9 | 0 | 0 | 0 | 111.5 | A485 A486 G493 V495 | A485-L489 WeakPolarHBondContact O-CB 3.28Å; A485-L489 PolarHBondContact O-N 2.97Å; A486-L489 PolarHBondContact O-N 3.15Å; L489-G493 VanDerWaalsContact O-CA 3.24Å; L489-G493 WeakPolarHBondContact O-CA 3.46Å; L489-G493 PolarHBondContact O-N 3.15Å; L489-V495 HydrophobicContact CB-CG2 4.1Å; L489-V495 HydrophobicContact CD1-CG2 4.37Å |
| 490 | V | 93.2 | Very high | 91.3 | Very high | 133 Ų | 133 | 59.6 Ų | 59.6 | 81% | 0.806 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.4 | -41.9 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 112 | A486 Q488 | A486-V490 WeakPolarHBondContact O-CG2 3.42Å; A486-V490 PolarHBondContact O-N 3.28Å; Q488-V490 VanDerWaalsContact C-N 3.3Å; Q488-V490 PolarHBondContact O-N 3.22Å |
| 491 | A | 90.1 | Very high | 91.2 | Very high | 82 Ų | 82 | 61 Ų | 61 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -83 | -28.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A487 Q488 | A487-A491 VanDerWaalsContact O-CB 3.22Å; A487-A491 WeakPolarHBondContact O-CB 3.06Å; A487-A491 PolarHBondContact O-N 3.22Å; Q488-A491 PolarHBondContact O-N 3.01Å |
| 492 | R | 81.3 | Confident | 91.2 | Very high | 119 Ų | 119 | 60.9 Ų | 60.9 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -130.7 | -8.9 | -169.7 | -55.8 | -176.6 | -177.6 | -179.9 | -0.4 | 114.4 | Q488 Y494 E496 | Q488-R492 WeakPolarHBondContact O-CA 3.15Å; Q488-R492 WeakPolarHBondContact O-CB 3.27Å; Q488-R492 PolarHBondContact O-N 3.14Å; R492-Y494 HydrophobicContact CB-CD1 4.15Å; R492-Y494 HydrophobicContact CB-CE1 3.92Å; R492-Y494 WeakPolarHBondContact O-CD1 3.45Å; R492-Y494 PolarHBondContact O-N 2.98Å; R492-Y494 VanDerWaalsContact O-N 3.16Å; R492-E496 IonicContact NH1-OE1 3.3Å; R492-E496 PolarHBondContact NH1-OE1 3.06Å |
| 493 | G | 80.6 | Confident | 91.1 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 75.1 | -4.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | L489 | L489-G493 VanDerWaalsContact O-CA 3.24Å; L489-G493 WeakPolarHBondContact O-CA 3.46Å; L489-G493 PolarHBondContact O-N 3.15Å |
| 494 | Y | 80.4 | Confident | 91.1 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -142.1 | 166.1 | 175.7 | 68.3 | -87.9 | 0 | 0 | 0 | 112 | Q488 R492 E496 | Q488-Y494 CarbonylContact C-O 3.54Å; R492-Y494 HydrophobicContact CB-CD1 4.15Å; R492-Y494 HydrophobicContact CB-CE1 3.92Å; R492-Y494 WeakPolarHBondContact O-CD1 3.45Å; R492-Y494 PolarHBondContact O-N 2.98Å; R492-Y494 VanDerWaalsContact O-N 3.16Å; Y494-E496 HydrophobicContact CD2-CG 4.24Å; Y494-E496 HydrophobicContact CE2-CG 3.73Å; Y494-E496 PolarHBondContact OH-OE1 3.49Å |
| 495 | V | 84.8 | Confident | 91.1 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | trans | -119.1 | 122 | -178.1 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | A485 L489 | A485-V495 HydrophobicContact CB-CG1 3.83Å; A485-V495 HydrophobicContact CB-CG2 4.31Å; L489-V495 HydrophobicContact CB-CG2 4.1Å; L489-V495 HydrophobicContact CD1-CG2 4.37Å | ||
| 496 | E | 87.3 | Confident | 91.2 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | trans | -90 | 110.8 | 167.7 | -70.7 | 178.4 | -133.2 | 0 | 0 | 109.9 | R492 Y494 A498 W499 C500 | R492-E496 IonicContact NH1-OE1 3.3Å; R492-E496 PolarHBondContact NH1-OE1 3.06Å; Y494-E496 HydrophobicContact CD2-CG 4.24Å; Y494-E496 HydrophobicContact CE2-CG 3.73Å; Y494-E496 PolarHBondContact OH-OE1 3.49Å; E496-A498 PolarHBondContact O-N 3.33Å; E496-W499 PolarHBondContact O-N 2.92Å; E496-W499 PolarHBondContact OE2-NE1 2.94Å; E496-C500 PolarHBondContact O-SG 3.25Å; E496-C500 VanDerWaalsContact O-SG 3.35Å | ||
| 497 | A | 90.1 | Very high | 91.2 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 50% | 0.496 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.5 | -34.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W499 C500 L501 | A497-W499 PolarHBondContact O-N 3.21Å; A497-C500 WeakPolarHBondContact O-CB 3.07Å; A497-C500 PolarHBondContact O-N 2.99Å; A497-L501 VanDerWaalsContact O-CG 3.31Å; A497-L501 WeakPolarHBondContact O-CG 3.29Å; A497-L501 PolarHBondContact O-N 3.45Å |
| 498 | A | 91.1 | Very high | 91.3 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55 | -49.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y22 L23 E496 C500 L501 A502 | Y22-A498 HydrophobicContact CE1-CB 4.23Å; L23-A498 HydrophobicContact CD2-CB 3.88Å; L23-A498 WeakPolarHBondContact CD2-O 3.3Å; E496-A498 PolarHBondContact O-N 3.33Å; A498-C500 VanDerWaalsContact C-N 3.34Å; A498-C500 PolarHBondContact O-N 3.2Å; A498-L501 PolarHBondContact O-N 2.98Å; A498-A502 WeakPolarHBondContact O-CB 3.17Å; A498-A502 PolarHBondContact O-N 3.47Å |
| 499 | W | 93.6 | Very high | 91.5 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.6 | -33.4 | -179.8 | -66.1 | 116.1 | 0 | 0 | 0 | 113 | A436 K437 A440 E496 A497 A502 A503 | A436-W499 HydrophobicContact CB-CH2 3.62Å; A436-W499 HydrophobicContact CB-CZ2 4.14Å; K437-W499 HydrophobicContact CG-CH2 4.28Å; K437-W499 HydrophobicContact CG-CZ2 3.97Å; A440-W499 HydrophobicContact CB-CZ3 4.08Å; E496-W499 PolarHBondContact O-N 2.92Å; E496-W499 PolarHBondContact OE2-NE1 2.94Å; A497-W499 PolarHBondContact O-N 3.21Å; W499-A502 PolarHBondContact O-N 3.41Å; W499-A503 WeakPolarHBondContact O-CB 3.45Å; W499-A503 PolarHBondContact O-N 3.41Å |
| 500 | C | 95.2 | Very high | 91.7 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.1 | -55.2 | 0 | 0 | 0 | 0 | 111 | E496 A497 A498 G504 | E496-C500 PolarHBondContact O-SG 3.25Å; E496-C500 VanDerWaalsContact O-SG 3.35Å; A497-C500 WeakPolarHBondContact O-CB 3.07Å; A497-C500 PolarHBondContact O-N 2.99Å; A498-C500 VanDerWaalsContact C-N 3.34Å; A498-C500 PolarHBondContact O-N 3.2Å; C500-G504 PolarHBondContact O-N 2.92Å |
| 501 | L | 94.8 | Very high | 91.8 | Very high | 81 Ų | 81 | 44.2 Ų | 44.2 | 42% | 0.424 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 175.9 | -69.6 | 172.6 | 0 | 0 | 0 | 111.7 | V19 A497 A498 G504 A505 | V19-L501 HydrophobicContact CG1-CB 4.03Å; V19-L501 HydrophobicContact CG2-CB 4.47Å; A497-L501 VanDerWaalsContact O-CG 3.31Å; A497-L501 WeakPolarHBondContact O-CG 3.29Å; A497-L501 PolarHBondContact O-N 3.45Å; A498-L501 PolarHBondContact O-N 2.98Å; L501-G504 PolarHBondContact O-N 2.7Å; L501-A505 VanDerWaalsContact O-CB 3.29Å; L501-A505 WeakPolarHBondContact O-CB 3.39Å; L501-A505 PolarHBondContact O-N 3.46Å |
| 502 | A | 95.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -51.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L23 A440 A498 W499 A505 F506 | L23-A502 HydrophobicContact CD1-CB 3.49Å; L23-A502 VanDerWaalsContact CD1-CB 3.49Å; L23-A502 HydrophobicContact CD2-CB 4.15Å; L23-A502 HydrophobicContact CG-CB 4.47Å; A440-A502 HydrophobicContact CB-CB 4.43Å; A498-A502 WeakPolarHBondContact O-CB 3.17Å; A498-A502 PolarHBondContact O-N 3.47Å; W499-A502 PolarHBondContact O-N 3.41Å; A502-A505 PolarHBondContact O-N 3.04Å; A502-F506 WeakPolarHBondContact O-CB 3.18Å; A502-F506 PolarHBondContact O-N 2.8Å |
| 503 | A | 95.9 | Very high | 92.4 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 22% | 0.223 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | V480 V484 W499 A507 | V480-A503 HydrophobicContact CG1-CB 3.87Å; V484-A503 HydrophobicContact CB-CB 4.46Å; V484-A503 HydrophobicContact CG2-CB 3.75Å; W499-A503 WeakPolarHBondContact O-CB 3.45Å; W499-A503 PolarHBondContact O-N 3.41Å; A503-A507 VanDerWaalsContact O-CB 3.3Å; A503-A507 WeakPolarHBondContact O-CB 3.32Å; A503-A507 PolarHBondContact O-N 2.88Å |
| 504 | G | 96.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A477 C500 L501 A507 S508 | A477-G504 VanDerWaalsContact CA-O 3.3Å; A477-G504 WeakPolarHBondContact CA-O 3.3Å; A477-G504 WeakPolarHBondContact CB-O 3.22Å; A477-G504 WeakPolarHBondContact O-CA 3.31Å; C500-G504 PolarHBondContact O-N 2.92Å; L501-G504 PolarHBondContact O-N 2.7Å; G504-A507 PolarHBondContact O-N 3.46Å; G504-S508 VanDerWaalsContact O-CB 3.28Å; G504-S508 WeakPolarHBondContact O-CB 3.43Å; G504-S508 PolarHBondContact O-N 3.26Å |
| 505 | A | 96.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -52.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V19 V444 L501 A502 A507 S508 E509 | V19-A505 HydrophobicContact CB-CB 4.32Å; V19-A505 HydrophobicContact CG1-CB 3.87Å; V444-A505 HydrophobicContact CG1-CB 4.11Å; V444-A505 HydrophobicContact CG2-CB 4.32Å; L501-A505 VanDerWaalsContact O-CB 3.29Å; L501-A505 WeakPolarHBondContact O-CB 3.39Å; L501-A505 PolarHBondContact O-N 3.46Å; A502-A505 PolarHBondContact O-N 3.04Å; A505-A507 PolarHBondContact O-N 2.65Å; A505-S508 WeakPolarHBondContact O-CB 3.22Å; A505-S508 PolarHBondContact O-N 3.21Å; A505-S508 VanDerWaalsContact O-N 3.15Å; A505-E509 VanDerWaalsContact O-CG 3.32Å; A505-E509 WeakPolarHBondContact O-CG 3.31Å; A505-E509 PolarHBondContact O-N 3.44Å |
| 506 | F | 95.4 | Very high | 93.3 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 40% | 0.404 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.4 | -47 | 179.7 | -176.5 | -94.9 | 0 | 0 | 0 | 112.5 | F447 A502 S508 E509 A510 | F447-F506 HydrophobicContact CD1-CE2 4.35Å; F447-F506 HydrophobicContact CD2-CD2 4.29Å; F447-F506 AromaticContact CD2-CE2 3.91Å; F447-F506 HydrophobicContact CD2-CE2 3.91Å; F447-F506 AromaticContact CE1-CE2 3.98Å; F447-F506 HydrophobicContact CE1-CE2 3.98Å; F447-F506 HydrophobicContact CE1-CZ 4.3Å; F447-F506 HydrophobicContact CE2-CD2 4.31Å; F447-F506 AromaticContact CE2-CE2 3.49Å; F447-F506 HydrophobicContact CE2-CE2 3.49Å; F447-F506 VanDerWaalsContact CE2-CE2 3.49Å; F447-F506 HydrophobicContact CE2-CZ 4.27Å; F447-F506 HydrophobicContact CG-CD2 4.46Å; F447-F506 HydrophobicContact CG-CE2 4.33Å; F447-F506 HydrophobicContact CZ-CD2 4.49Å; F447-F506 AromaticContact CZ-CE2 3.53Å; F447-F506 HydrophobicContact CZ-CE2 3.53Å; F447-F506 AromaticContact CZ-CZ 3.89Å; F447-F506 HydrophobicContact CZ-CZ 3.89Å; A502-F506 WeakPolarHBondContact O-CB 3.18Å; A502-F506 PolarHBondContact O-N 2.8Å; F506-S508 VanDerWaalsContact C-N 3.34Å; F506-S508 PolarHBondContact O-N 2.61Å; F506-E509 PolarHBondContact O-N 2.03Å; F506-A510 WeakPolarHBondContact O-CB 3.44Å; F506-A510 PolarHBondContact O-N 3.26Å |
| 507 | A | 96.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 17% | 0.174 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V480 A503 G504 A505 L511 | V480-A507 HydrophobicContact CB-CB 3.99Å; V480-A507 HydrophobicContact CG1-CB 4.15Å; V480-A507 HydrophobicContact CG2-CB 3.73Å; A503-A507 VanDerWaalsContact O-CB 3.3Å; A503-A507 WeakPolarHBondContact O-CB 3.32Å; A503-A507 PolarHBondContact O-N 2.88Å; G504-A507 PolarHBondContact O-N 3.46Å; A505-A507 PolarHBondContact O-N 2.65Å; A507-L511 VanDerWaalsContact O-CB 3.27Å; A507-L511 WeakPolarHBondContact O-CB 3.2Å; A507-L511 PolarHBondContact O-N 3.11Å |
| 508 | S | 96.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -48.5 | 176.4 | 158.4 | 0 | 0 | 0 | 0 | 112.1 | W12 P473 G504 A505 F506 L511 F512 | W12-S508 PolarHBondContact NE1-OG 3.19Å; P473-S508 VanDerWaalsContact O-CB 3.25Å; P473-S508 WeakPolarHBondContact O-CB 3.24Å; G504-S508 VanDerWaalsContact O-CB 3.28Å; G504-S508 WeakPolarHBondContact O-CB 3.43Å; G504-S508 PolarHBondContact O-N 3.26Å; A505-S508 WeakPolarHBondContact O-CB 3.22Å; A505-S508 PolarHBondContact O-N 3.21Å; A505-S508 VanDerWaalsContact O-N 3.15Å; F506-S508 VanDerWaalsContact C-N 3.34Å; F506-S508 PolarHBondContact O-N 2.61Å; S508-L511 PolarHBondContact O-N 3.04Å; S508-F512 WeakPolarHBondContact O-CB 3.49Å; S508-F512 PolarHBondContact O-N 3.25Å |
| 509 | E | 96 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.5 | -44.1 | -179.6 | -67 | 175 | 99.6 | 0 | 0 | 112 | W12 A16 F447 A448 A505 F506 L511 F512 L513 | W12-E509 HydrophobicContact CH2-CG 4.39Å; W12-E509 HydrophobicContact CZ2-CG 4.08Å; A16-E509 HydrophobicContact CB-CG 4.24Å; F447-E509 VanDerWaalsContact C-OE1 3.25Å; F447-E509 HydrophobicContact CB-CB 4.08Å; F447-E509 HydrophobicContact CD1-CB 4.45Å; A448-E509 WeakPolarHBondContact CA-OE1 3.5Å; A448-E509 VanDerWaalsContact CB-OE1 3.3Å; A448-E509 WeakPolarHBondContact CB-OE1 3.44Å; A448-E509 PolarHBondContact N-OE1 2.69Å; A505-E509 VanDerWaalsContact O-CG 3.32Å; A505-E509 WeakPolarHBondContact O-CG 3.31Å; A505-E509 PolarHBondContact O-N 3.44Å; F506-E509 PolarHBondContact O-N 2.03Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 3.45Å; E509-F512 PolarHBondContact O-N 2.85Å; E509-L513 WeakPolarHBondContact O-CB 3.34Å; E509-L513 WeakPolarHBondContact O-CG 3.5Å; E509-L513 PolarHBondContact O-N 3.22Å |
| 510 | A | 95 | Very high | 90.6 | Very high | 34 Ų | 34 | 47 Ų | 47 | 28% | 0.281 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F447 F506 L513 W514 | F447-A510 HydrophobicContact CE1-CB 4.4Å; F506-A510 WeakPolarHBondContact O-CB 3.44Å; F506-A510 PolarHBondContact O-N 3.26Å; A510-L513 PolarHBondContact O-N 3.46Å; A510-W514 VanDerWaalsContact O-CB 3.26Å; A510-W514 WeakPolarHBondContact O-CB 3.12Å; A510-W514 PolarHBondContact O-N 3.31Å |
| 511 | L | 94.7 | Very high | 88.6 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 176.5 | -178.7 | 60.4 | 0 | 0 | 0 | 111.9 | G472 A476 A507 S508 E509 W514 R515 | G472-L511 WeakPolarHBondContact O-CD2 3.43Å; A476-L511 HydrophobicContact CB-CD2 3.68Å; A507-L511 VanDerWaalsContact O-CB 3.27Å; A507-L511 WeakPolarHBondContact O-CB 3.2Å; A507-L511 PolarHBondContact O-N 3.11Å; S508-L511 PolarHBondContact O-N 3.04Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 3.45Å; L511-W514 HydrophobicContact CD1-CE3 3.78Å; L511-W514 HydrophobicContact CD1-CZ3 4.03Å; L511-R515 HydrophobicContact CD1-CG 4.39Å; L511-R515 WeakPolarHBondContact O-CB 3.23Å; L511-R515 VanDerWaalsContact O-CG 3.29Å; L511-R515 WeakPolarHBondContact O-CG 3.33Å; L511-R515 PolarHBondContact O-N 3.41Å |
| 512 | F | 93.3 | Very high | 86.4 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -51.1 | 174.9 | 173.2 | -97.4 | 0 | 0 | 0 | 111.2 | W12 A451 M455 L462 P473 S508 E509 W514 R515 A516 | W12-F512 HydrophobicContact CH2-CB 3.7Å; W12-F512 AromaticContact CH2-CD1 3.57Å; W12-F512 HydrophobicContact CH2-CD1 3.57Å; W12-F512 HydrophobicContact CH2-CD2 4.08Å; W12-F512 HydrophobicContact CH2-CE1 4.21Å; W12-F512 AromaticContact CH2-CG 3.49Å; W12-F512 HydrophobicContact CH2-CG 3.49Å; W12-F512 VanDerWaalsContact CH2-CG 3.49Å; W12-F512 HydrophobicContact CZ2-CB 3.83Å; W12-F512 HydrophobicContact CZ2-CG 4.09Å; W12-F512 HydrophobicContact CZ3-CD1 4.05Å; W12-F512 HydrophobicContact CZ3-CD2 4.32Å; W12-F512 HydrophobicContact CZ3-CE1 4.23Å; W12-F512 HydrophobicContact CZ3-CE2 4.49Å; W12-F512 HydrophobicContact CZ3-CG 4.09Å; W12-F512 HydrophobicContact CZ3-CZ 4.45Å; A451-F512 HydrophobicContact CB-CD1 4.02Å; A451-F512 HydrophobicContact CB-CE1 4.12Å; M455-F512 HydrophobicContact CB-CZ 4.29Å; M455-F512 HydrophobicContact CE-CE1 4.39Å; M455-F512 HydrophobicContact CE-CE2 4.29Å; M455-F512 HydrophobicContact CE-CZ 3.83Å; L462-F512 HydrophobicContact CD1-CZ 4.18Å; L462-F512 HydrophobicContact CD2-CE2 4.5Å; P473-F512 HydrophobicContact CB-CB 4.48Å; P473-F512 HydrophobicContact CG-CB 3.99Å; S508-F512 WeakPolarHBondContact O-CB 3.49Å; S508-F512 PolarHBondContact O-N 3.25Å; E509-F512 PolarHBondContact O-N 2.85Å; F512-W514 VanDerWaalsContact C-N 3.34Å; F512-W514 PolarHBondContact O-N 2.94Å; F512-R515 PolarHBondContact O-N 3.44Å; F512-A516 WeakPolarHBondContact O-CB 3.37Å; F512-A516 PolarHBondContact O-N 3.49Å |
| 513 | L | 91.9 | Very high | 83.7 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 179.5 | -72.3 | 173.7 | 0 | 0 | 0 | 112.1 | F447 L450 A451 V454 E509 A510 A516 W517 | F447-L513 HydrophobicContact CD1-CD1 3.67Å; F447-L513 HydrophobicContact CE1-CD1 4.2Å; L450-L513 HydrophobicContact CB-CD1 4.45Å; L450-L513 HydrophobicContact CD2-CD1 3.78Å; L450-L513 HydrophobicContact CD2-CD2 4.33Å; L450-L513 HydrophobicContact CG-CD1 4.11Å; L450-L513 HydrophobicContact CG-CD2 3.94Å; A451-L513 HydrophobicContact CB-CD2 4.19Å; A451-L513 HydrophobicContact CB-CG 4.46Å; V454-L513 HydrophobicContact CB-CD2 4.3Å; V454-L513 HydrophobicContact CG2-CD2 4.12Å; E509-L513 WeakPolarHBondContact O-CB 3.34Å; E509-L513 WeakPolarHBondContact O-CG 3.5Å; E509-L513 PolarHBondContact O-N 3.22Å; A510-L513 PolarHBondContact O-N 3.46Å; L513-A516 PolarHBondContact O-N 3.42Å; L513-W517 VanDerWaalsContact O-CB 3.32Å; L513-W517 WeakPolarHBondContact O-CB 3.39Å; L513-W517 PolarHBondContact O-N 2.92Å |
| 514 | W | 90.9 | Very high | 80.9 | Confident | 119 Ų | 119 | 64.1 Ų | 64.1 | 45% | 0.451 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.5 | 176.5 | 83.4 | 0 | 0 | 0 | 112.3 | A510 L511 F512 W517 R518 | A510-W514 VanDerWaalsContact O-CB 3.26Å; A510-W514 WeakPolarHBondContact O-CB 3.12Å; A510-W514 PolarHBondContact O-N 3.31Å; L511-W514 HydrophobicContact CD1-CE3 3.78Å; L511-W514 HydrophobicContact CD1-CZ3 4.03Å; F512-W514 VanDerWaalsContact C-N 3.34Å; F512-W514 PolarHBondContact O-N 2.94Å; W514-W517 PolarHBondContact O-N 2.92Å; W514-R518 VanDerWaalsContact CE2-NE 3.29Å; W514-R518 VanDerWaalsContact CH2-CZ 3.49Å; W514-R518 PolarHBondContact O-N 3.21Å |
| 515 | R | 88.8 | Confident | 78 | Confident | 86 Ų | 86 | 68 Ų | 68 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 174.2 | -73.1 | 177.9 | -177.8 | -156.3 | -3.3 | 111.3 | L511 F512 W517 R518 L519 | L511-R515 HydrophobicContact CD1-CG 4.39Å; L511-R515 WeakPolarHBondContact O-CB 3.23Å; L511-R515 VanDerWaalsContact O-CG 3.29Å; L511-R515 WeakPolarHBondContact O-CG 3.33Å; L511-R515 PolarHBondContact O-N 3.41Å; F512-R515 PolarHBondContact O-N 3.44Å; R515-W517 VanDerWaalsContact C-N 3.29Å; R515-W517 PolarHBondContact O-N 2.94Å; R515-R518 PolarHBondContact O-N 3.35Å; R515-R518 VanDerWaalsContact O-N 3.14Å; R515-L519 WeakPolarHBondContact O-CG 3.35Å; R515-L519 PolarHBondContact O-N 3.3Å |
| 516 | A | 84.9 | Confident | 75.2 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V454 L458 F512 L513 L519 K520 | V454-A516 HydrophobicContact CG1-CB 3.74Å; L458-A516 HydrophobicContact CD1-CB 3.91Å; F512-A516 WeakPolarHBondContact O-CB 3.37Å; F512-A516 PolarHBondContact O-N 3.49Å; L513-A516 PolarHBondContact O-N 3.42Å; A516-L519 PolarHBondContact O-N 3.21Å; A516-K520 PolarHBondContact O-N 2.94Å; A516-K520 VanDerWaalsContact O-N 3.09Å |
| 517 | W | 83.2 | Confident | 72.3 | Confident | 132 Ų | 132 | 79.3 Ų | 79.3 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 175.2 | -179.4 | 83.5 | 0 | 0 | 0 | 112.8 | L513 W514 R515 K520 | L513-W517 VanDerWaalsContact O-CB 3.32Å; L513-W517 WeakPolarHBondContact O-CB 3.39Å; L513-W517 PolarHBondContact O-N 2.92Å; W514-W517 PolarHBondContact O-N 2.92Å; R515-W517 VanDerWaalsContact C-N 3.29Å; R515-W517 PolarHBondContact O-N 2.94Å; W517-K520 WeakPolarHBondContact O-CB 3.46Å; W517-K520 PolarHBondContact O-N 3.33Å |
| 518 | R | 82.3 | Confident | 69.4 | Low | 146 Ų | 146 | 81.9 Ų | 81.9 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.9 | -40.5 | 172.9 | -74.8 | -172.1 | 173.7 | -149.5 | -4.1 | 112.3 | W514 R515 K520 R521 | W514-R518 VanDerWaalsContact CE2-NE 3.29Å; W514-R518 VanDerWaalsContact CH2-CZ 3.49Å; W514-R518 PolarHBondContact O-N 3.21Å; R515-R518 PolarHBondContact O-N 3.35Å; R515-R518 VanDerWaalsContact O-N 3.14Å; R518-K520 PolarHBondContact O-N 3.4Å; R518-R521 PolarHBondContact O-N 3.45Å |
| 519 | L | 75.3 | Confident | 66.5 | Low | 57 Ų | 57 | 86 Ų | 86 | 30% | 0.298 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.7 | -26.5 | 175.8 | -70.2 | 165.7 | 0 | 0 | 0 | 112.7 | E465 A468 R515 A516 | E465-L519 VanDerWaalsContact CD-CD2 3.5Å; E465-L519 WeakPolarHBondContact OE1-CD2 3.41Å; E465-L519 WeakPolarHBondContact OE2-CD2 3.49Å; A468-L519 HydrophobicContact CB-CD1 4.27Å; R515-L519 WeakPolarHBondContact O-CG 3.35Å; R515-L519 PolarHBondContact O-N 3.3Å; A516-L519 PolarHBondContact O-N 3.21Å |
| 520 | K | 64.3 | Low | 63.6 | Low | 69 Ų | 69 | 96 Ų | 96 | 30% | 0.3 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73 | -22.8 | 177.4 | -172.3 | -178.2 | 175.8 | -176.8 | 0 | 114 | A516 W517 R518 P522 W532 | A516-K520 PolarHBondContact O-N 2.94Å; A516-K520 VanDerWaalsContact O-N 3.09Å; W517-K520 WeakPolarHBondContact O-CB 3.46Å; W517-K520 PolarHBondContact O-N 3.33Å; R518-K520 PolarHBondContact O-N 3.4Å; K520-P522 WeakPolarHBondContact O-CD 3.3Å; K520-W532 HydrophobicContact CD-CG 4.45Å |
| 521 | R | 52.1 | Low | 60.9 | Low | 170 Ų | 170 | 98 Ų | 98 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -74.3 | 109 | 175.4 | -74 | -175.1 | 175.2 | -162.6 | -5.7 | 108.1 | R518 A523 | R518-R521 PolarHBondContact O-N 3.45Å; R521-A523 PolarHBondContact O-N 3.49Å |
| 522 | P | 49.1 | Very low | 58.6 | Low | 91 Ų | 91 | 100.4 Ų | 100.4 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | trans | -71.3 | 135.8 | -175.3 | -9.8 | 26.4 | 0 | 0 | 0 | 109.6 | K520 V524 | K520-P522 WeakPolarHBondContact O-CD 3.3Å; P522-V524 PolarHBondContact O-N 2.91Å | ||
| 523 | A | 39.6 | Very low | 56.3 | Low | 93 Ų | 93 | 108.7 Ų | 108.7 | 77% | 0.769 | 56% | 0.564 | S | S | * | * | trans | -39.8 | 120.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | R521 S525 | R521-A523 PolarHBondContact O-N 3.49Å; A523-S525 VanDerWaalsContact C-N 3.32Å; A523-S525 PolarHBondContact O-N 2.88Å | ||
| 524 | V | 36.9 | Very low | 54.2 | Low | 139 Ų | 139 | 112.4 Ų | 112.4 | 84% | 0.842 | 58% | 0.583 | S | S | * | * | trans | -52 | 97.1 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 107.9 | P522 | P522-V524 PolarHBondContact O-N 2.91Š| ||
| 525 | S | 36.2 | Very low | 52.2 | Low | 85 Ų | 85 | 109 Ų | 109 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | trans | -77.8 | 121.9 | 172.5 | 175.5 | 0 | 0 | 0 | 0 | 107.5 | A523 N527 | A523-S525 VanDerWaalsContact C-N 3.32Å; A523-S525 PolarHBondContact O-N 2.88Å; S525-N527 PolarHBondContact O-N 2.97Å | ||
| 526 | K | 36.5 | Very low | 50.5 | Low | 204 Ų | 204 | 108.3 Ų | 108.3 | 89% | 0.887 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -59.8 | -2.1 | 176.6 | -75 | 179.4 | 172.8 | 179.8 | 0 | 114.2 | ||
| 527 | N | 35.4 | Very low | 49.1 | Very low | 139 Ų | 139 | 118.2 Ų | 118.2 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -113.6 | 40.8 | -173 | -70.3 | 3.1 | 0 | 0 | 0 | 114.7 | S525 A529 | S525-N527 PolarHBondContact O-N 2.97Å; N527-A529 PolarHBondContact O-N 2.88Å |
| 528 | G | 34.4 | Very low | 48.2 | Very low | 75 Ų | 75 | 119.9 Ų | 119.9 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | trans | 61.4 | 9.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119 | K530 | G528-K530 PolarHBondContact O-N 3.38Š| ||
| 529 | A | 35.1 | Very low | 47.1 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | trans | -75.8 | 113.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N527 A531 | N527-A529 PolarHBondContact O-N 2.88Å; A529-A531 PolarHBondContact O-N 3.37Å | ||
| 530 | K | 35.5 | Very low | 46.6 | Very low | 211 Ų | 211 | 120 Ų | 120 | 92% | 0.917 | 64% | 0.644 | S | S | * | * | trans | -57 | 131.5 | -175.9 | -74 | 178.2 | 179.4 | 173.4 | 0 | 111.9 | G528 | G528-K530 PolarHBondContact O-N 3.38Š| ||
| 531 | A | 39.6 | Very low | 47.2 | Very low | 74 Ų | 74 | 118.1 Ų | 118.1 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | trans | -55.8 | 142.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A529 K533 | A529-A531 PolarHBondContact O-N 3.37Å; A531-K533 PolarHBondContact O-N 3.14Å | ||
| 532 | W | 44.8 | Very low | 48.3 | Very low | 93 Ų | 93 | 112.2 Ų | 112.2 | 35% | 0.352 | 63% | 0.625 | S | S | . | * | trans | -54.3 | 103.6 | 175.2 | -173.2 | -47.1 | 0 | 0 | 0 | 112.7 | E457 L458 K520 | E457-W532 HydrophobicContact CB-CH2 3.29Å; E457-W532 HydrophobicContact CB-CZ2 3.51Å; E457-W532 HydrophobicContact CB-CZ3 4.45Å; E457-W532 HydrophobicContact CG-CH2 3.93Å; E457-W532 HydrophobicContact CG-CZ2 3.79Å; E457-W532 WeakPolarHBondContact O-CH2 3.2Å; E457-W532 WeakPolarHBondContact O-CZ3 3.28Å; E457-W532 VanDerWaalsContact OE2-CH2 3.29Å; E457-W532 WeakPolarHBondContact OE2-CH2 3.34Å; E457-W532 WeakPolarHBondContact OE2-CZ2 3.21Å; L458-W532 HydrophobicContact CD2-CE3 4.12Å; L458-W532 HydrophobicContact CD2-CH2 4.32Å; L458-W532 HydrophobicContact CD2-CZ3 3.69Å; K520-W532 HydrophobicContact CD-CG 4.45Å | ||
| 533 | K | 44.9 | Very low | 49.8 | Very low | 182 Ų | 182 | 108.6 Ų | 108.6 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | trans | -96.2 | 114.4 | 160.5 | -77.4 | -173.5 | 178.2 | -177.8 | 0 | 109.5 | A531 S535 | A531-K533 PolarHBondContact O-N 3.14Å; K533-S535 PolarHBondContact O-N 3.01Å | ||
| 534 | L | 48.3 | Very low | 51.9 | Low | 101 Ų | 101 | 104.7 Ų | 104.7 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | trans | -67 | 87.6 | 164.3 | -118.7 | 136.1 | 0 | 0 | 0 | 105.7 | F453 | F453-L534 HydrophobicContact CE1-CD2 4.12Š| ||
| 535 | S | 49.7 | Very low | 54.1 | Low | 48 Ų | 48 | 99.4 Ų | 99.4 | 34% | 0.336 | 54% | 0.539 | S | S | . | . | trans | -84.7 | 127.1 | 178 | 177 | 0 | 0 | 0 | 0 | 108.3 | K533 R537 R538 | K533-S535 PolarHBondContact O-N 3.01Å; S535-R537 PolarHBondContact O-N 3.4Å; S535-R537 WeakPolarHBondContact OG-CB 3.48Å; S535-R537 PolarHBondContact OG-N 3.08Å; S535-R538 PolarHBondContact O-N 3.24Å | ||
| 536 | A | 52.2 | Low | 56.6 | Low | 72 Ų | 72 | 96.3 Ų | 96.3 | 60% | 0.595 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -50.4 | -25.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R538 L539 L540 | A536-R538 PolarHBondContact O-N 2.96Å; A536-L539 PolarHBondContact O-N 3.22Å; A536-L539 VanDerWaalsContact O-N 3.14Å; A536-L540 PolarHBondContact O-N 3.24Å |
| 537 | R | 56.8 | Low | 59 | Low | 211 Ų | 211 | 87.1 Ų | 87.1 | 80% | 0.796 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.9 | -23.7 | 174.1 | -61.6 | -174.6 | 178.6 | -169.5 | -1 | 114.2 | S535 | S535-R537 PolarHBondContact O-N 3.4Å; S535-R537 WeakPolarHBondContact OG-CB 3.48Å; S535-R537 PolarHBondContact OG-N 3.08Å |
| 538 | R | 63.4 | Low | 61.4 | Low | 166 Ų | 166 | 84.6 Ų | 84.6 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -77 | -30.9 | 174.6 | -73.5 | -170.2 | -177.2 | -166.8 | 0.9 | 112.8 | S535 A536 L540 A541 | S535-R538 PolarHBondContact O-N 3.24Å; A536-R538 PolarHBondContact O-N 2.96Å; R538-L540 VanDerWaalsContact C-N 3.31Å; R538-A541 VanDerWaalsContact O-CB 3.29Å; R538-A541 WeakPolarHBondContact O-CB 3.5Å; R538-A541 PolarHBondContact O-N 3.26Å |
| 539 | L | 60.1 | Low | 63.9 | Low | 73 Ų | 73 | 86.3 Ų | 86.3 | 38% | 0.382 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.1 | -29.3 | 174.2 | -71.8 | 163.4 | 0 | 0 | 0 | 111.5 | A536 A541 L544 | A536-L539 PolarHBondContact O-N 3.22Å; A536-L539 VanDerWaalsContact O-N 3.14Å; L539-A541 PolarHBondContact O-N 3.02Å; L539-L544 HydrophobicContact CD2-CD1 4.3Å |
| 540 | L | 63.6 | Low | 66.5 | Low | 133 Ų | 133 | 82.2 Ų | 82.2 | 70% | 0.696 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 0.7 | 173.3 | -63.7 | 171.7 | 0 | 0 | 0 | 113.8 | A536 R538 | A536-L540 PolarHBondContact O-N 3.24Å; R538-L540 VanDerWaalsContact C-N 3.31Å |
| 541 | A | 76.5 | Confident | 69.2 | Low | 29 Ų | 29 | 72.7 Ų | 72.7 | 24% | 0.24 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -64.5 | 138.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | R538 L539 S543 L544 A545 | R538-A541 VanDerWaalsContact O-CB 3.29Å; R538-A541 WeakPolarHBondContact O-CB 3.5Å; R538-A541 PolarHBondContact O-N 3.26Å; L539-A541 PolarHBondContact O-N 3.02Å; A541-S543 PolarHBondContact O-N 3.19Å; A541-L544 PolarHBondContact O-N 2.84Å; A541-A545 PolarHBondContact O-N 2.87Å |
| 542 | P | 75.6 | Confident | 71.5 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 31% | 0.305 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -51.4 | -30.9 | -177.7 | -32.2 | 38.3 | 0 | 0 | 0 | 114.5 | L544 V546 Y577 | P542-L544 VanDerWaalsContact C-N 3.25Å; P542-L544 PolarHBondContact O-N 2.84Å; P542-V546 WeakPolarHBondContact O-CG2 3.48Å; P542-V546 PolarHBondContact O-N 3.43Å; P542-V546 VanDerWaalsContact O-N 3.13Å; P542-Y577 HydrophobicContact CB-CD1 4.26Å; P542-Y577 HydrophobicContact CB-CD2 4.25Å; P542-Y577 HydrophobicContact CB-CE1 4.03Å; P542-Y577 HydrophobicContact CB-CE2 4.02Å; P542-Y577 HydrophobicContact CB-CG 4.36Å; P542-Y577 HydrophobicContact CG-CD2 4.28Å; P542-Y577 HydrophobicContact CG-CE1 4.32Å; P542-Y577 HydrophobicContact CG-CE2 3.67Å |
| 543 | S | 80.9 | Confident | 73.7 | Confident | 15 Ų | 15 | 68.2 Ų | 68.2 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.8 | -26.9 | 176.2 | 56 | 0 | 0 | 0 | 0 | 115.2 | A541 T897 | A541-S543 PolarHBondContact O-N 3.19Å; S543-T897 WeakPolarHBondContact CB-OG1 3.34Å |
| 544 | L | 82.6 | Confident | 75.8 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -110.3 | -30.3 | 176.7 | -70.1 | 176.5 | 0 | 0 | 0 | 111.6 | L539 A541 P542 V546 P547 L548 W896 | L539-L544 HydrophobicContact CD2-CD1 4.3Å; A541-L544 PolarHBondContact O-N 2.84Å; P542-L544 VanDerWaalsContact C-N 3.25Å; P542-L544 PolarHBondContact O-N 2.84Å; L544-V546 PolarHBondContact O-N 2.94Å; L544-P547 WeakPolarHBondContact O-CD 3.25Å; L544-L548 WeakPolarHBondContact O-CB 3.39Å; L544-L548 WeakPolarHBondContact O-CG 3.37Å; L544-L548 PolarHBondContact O-N 3.4Å; L544-W896 HydrophobicContact CD1-CD2 4.45Å; L544-W896 HydrophobicContact CD2-CB 4.43Å; L544-W896 HydrophobicContact CD2-CD2 3.83Å; L544-W896 HydrophobicContact CD2-CE3 3.61Å; L544-W896 HydrophobicContact CD2-CG 4.22Å; L544-W896 HydrophobicContact CD2-CZ3 4.09Å; L544-W896 HydrophobicContact CG-CD2 4.39Å; L544-W896 HydrophobicContact CG-CG 4.37Å |
| 545 | A | 85.1 | Confident | 77.8 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 22% | 0.223 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A541 L548 L549 | A541-A545 PolarHBondContact O-N 2.87Å; A545-L548 PolarHBondContact O-N 3.24Å; A545-L549 WeakPolarHBondContact O-CG 3.4Å; A545-L549 PolarHBondContact O-N 2.86Å |
| 546 | V | 88.3 | Confident | 79.8 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -51.3 | 178.7 | 168.4 | 0 | 0 | 0 | 0 | 112.2 | P542 L544 L548 L549 R550 L570 L574 L904 | P542-V546 WeakPolarHBondContact O-CG2 3.48Å; P542-V546 PolarHBondContact O-N 3.43Å; P542-V546 VanDerWaalsContact O-N 3.13Å; L544-V546 PolarHBondContact O-N 2.94Å; V546-L548 VanDerWaalsContact C-N 3.28Å; V546-L548 PolarHBondContact O-N 3.11Å; V546-L549 PolarHBondContact O-N 3.22Å; V546-R550 PolarHBondContact O-N 2.91Å; V546-R550 VanDerWaalsContact O-N 3.1Å; V546-L570 HydrophobicContact CG1-CB 3.93Å; V546-L570 HydrophobicContact CG1-CD2 4.21Å; V546-L570 HydrophobicContact CG1-CG 4.46Å; V546-L574 HydrophobicContact CG1-CB 4.49Å; V546-L574 HydrophobicContact CG2-CD1 4.45Å; V546-L904 HydrophobicContact CG1-CD1 3.94Å |
| 547 | P | 86 | Confident | 81.4 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.071 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57 | -37.3 | 170.7 | -27.5 | 33.9 | 0 | 0 | 0 | 114 | L544 R550 C551 A900 I1015 | L544-P547 WeakPolarHBondContact O-CD 3.25Å; P547-R550 WeakPolarHBondContact O-CB 3.21Å; P547-R550 PolarHBondContact O-N 3.07Å; P547-C551 PolarHBondContact O-N 3.35Å; P547-C551 PolarHBondContact O-SG 2.94Å; P547-A900 HydrophobicContact CG-CB 3.89Å; P547-I1015 HydrophobicContact CB-CG2 4.32Å |
| 548 | L | 85.8 | Confident | 82.9 | Confident | 87 Ų | 87 | 50.8 Ų | 50.8 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 176.9 | -71.6 | 170.3 | 0 | 0 | 0 | 112.8 | L544 A545 V546 R550 C551 A552 | L544-L548 WeakPolarHBondContact O-CB 3.39Å; L544-L548 WeakPolarHBondContact O-CG 3.37Å; L544-L548 PolarHBondContact O-N 3.4Å; A545-L548 PolarHBondContact O-N 3.24Å; V546-L548 VanDerWaalsContact C-N 3.28Å; V546-L548 PolarHBondContact O-N 3.11Å; L548-R550 VanDerWaalsContact C-N 3.33Å; L548-C551 VanDerWaalsContact O-CB 3.31Å; L548-C551 WeakPolarHBondContact O-CB 3.47Å; L548-C551 PolarHBondContact O-N 3.46Å; L548-A552 PolarHBondContact O-N 3.33Å |
| 549 | L | 87 | Confident | 84.2 | Confident | 111 Ų | 111 | 48.8 Ų | 48.8 | 58% | 0.581 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.2 | -40.1 | 172.8 | -74 | 170.8 | 0 | 0 | 0 | 111.1 | A545 V546 C551 A552 S553 | A545-L549 WeakPolarHBondContact O-CG 3.4Å; A545-L549 PolarHBondContact O-N 2.86Å; V546-L549 PolarHBondContact O-N 3.22Å; L549-C551 VanDerWaalsContact C-N 3.35Å; L549-A552 PolarHBondContact O-N 2.98Å; L549-S553 PolarHBondContact O-N 2.83Å |
| 550 | R | 90.3 | Very high | 85.6 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 171.3 | -176.9 | 176.6 | 173.2 | -154.7 | -12.8 | 112 | V546 P547 L548 A552 S553 E563 L570 S907 E1047 | V546-R550 PolarHBondContact O-N 2.91Å; V546-R550 VanDerWaalsContact O-N 3.1Å; P547-R550 WeakPolarHBondContact O-CB 3.21Å; P547-R550 PolarHBondContact O-N 3.07Å; L548-R550 VanDerWaalsContact C-N 3.33Å; R550-A552 VanDerWaalsContact C-N 3.33Å; R550-A552 PolarHBondContact O-N 3.15Å; R550-S553 PolarHBondContact O-N 3.3Å; R550-S553 PolarHBondContact O-OG 3.1Å; R550-E563 IonicContact CZ-OE1 2.73Å; R550-E563 IonicContact NE-OE1 3.77Å; R550-E563 IonicContact NH2-OE1 2.92Å; R550-E563 PolarHBondContact NH2-OE1 3.3Å; R550-L570 HydrophobicContact CB-CD1 3.82Å; R550-L570 HydrophobicContact CG-CD1 4.41Å; R550-S907 PolarHBondContact NH1-OG 3.43Å; R550-S907 VanDerWaalsContact NH2-CB 3.32Å; R550-S907 PolarHBondContact NH2-OG 3.49Å; R550-E1047 IonicContact NH2-OE1 3.06Å |
| 551 | C | 91.4 | Very high | 86.8 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 173.5 | -80.7 | 0 | 0 | 0 | 0 | 111.9 | P547 L548 L549 S553 L554 A1018 S1022 | P547-C551 PolarHBondContact O-N 3.35Å; P547-C551 PolarHBondContact O-SG 2.94Å; L548-C551 VanDerWaalsContact O-CB 3.31Å; L548-C551 WeakPolarHBondContact O-CB 3.47Å; L548-C551 PolarHBondContact O-N 3.46Å; L549-C551 VanDerWaalsContact C-N 3.35Å; C551-S553 VanDerWaalsContact C-N 3.34Å; C551-L554 WeakPolarHBondContact O-CB 3.27Å; C551-L554 PolarHBondContact O-N 3.33Å; C551-A1018 PolarHBondContact SG-O 3.16Å; C551-S1022 WeakPolarHBondContact CB-OG 3.48Å; C551-S1022 PolarHBondContact SG-OG 3.21Å |
| 552 | A | 89 | Confident | 87.5 | Confident | 55 Ų | 55 | 42.9 Ų | 42.9 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.1 | -34 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L548 L549 R550 L554 L555 | L548-A552 PolarHBondContact O-N 3.33Å; L549-A552 PolarHBondContact O-N 2.98Å; R550-A552 VanDerWaalsContact C-N 3.33Å; R550-A552 PolarHBondContact O-N 3.15Å; A552-L554 PolarHBondContact O-N 3.01Å; A552-L554 VanDerWaalsContact O-N 3.16Å; A552-L555 PolarHBondContact O-N 2.94Å; A552-L555 VanDerWaalsContact O-N 3.15Å |
| 553 | S | 89.6 | Confident | 88.2 | Confident | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -18 | 179.6 | 73.8 | 0 | 0 | 0 | 0 | 113.4 | L549 R550 C551 L555 S556 Y559 | L549-S553 PolarHBondContact O-N 2.83Å; R550-S553 PolarHBondContact O-N 3.3Å; R550-S553 PolarHBondContact O-OG 3.1Å; C551-S553 VanDerWaalsContact C-N 3.34Å; S553-L555 PolarHBondContact O-N 3.49Å; S553-S556 PolarHBondContact O-N 3.48Å; S553-S556 VanDerWaalsContact O-N 3.09Å; S553-Y559 WeakPolarHBondContact O-CB 3.25Å |
| 554 | L | 90.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.3 | 174.9 | -62.3 | 172.5 | 0 | 0 | 0 | 113.7 | C551 A552 S556 V560 S1023 A1026 F1040 K1043 | C551-L554 WeakPolarHBondContact O-CB 3.27Å; C551-L554 PolarHBondContact O-N 3.33Å; A552-L554 PolarHBondContact O-N 3.01Å; A552-L554 VanDerWaalsContact O-N 3.16Å; L554-S556 VanDerWaalsContact C-N 3.28Å; L554-V560 HydrophobicContact CD2-CG2 4.17Å; L554-S1023 WeakPolarHBondContact CD1-OG 3.25Å; L554-A1026 HydrophobicContact CB-CB 4.3Å; L554-A1026 WeakPolarHBondContact O-CB 3.46Å; L554-F1040 VanDerWaalsContact O-CE1 3.28Å; L554-F1040 WeakPolarHBondContact O-CE1 3.41Å; L554-K1043 HydrophobicContact CD2-CD 4.43Å; L554-K1043 HydrophobicContact CD2-CG 4.22Å |
| 555 | L | 90.5 | Very high | 89 | Confident | 89 Ų | 89 | 47.8 Ų | 47.8 | 47% | 0.466 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5 | 172.6 | -67.6 | 169.5 | 0 | 0 | 0 | 113.2 | A552 S553 A1026 I1029 L1030 | A552-L555 PolarHBondContact O-N 2.94Å; A552-L555 VanDerWaalsContact O-N 3.15Å; S553-L555 PolarHBondContact O-N 3.49Å; L555-A1026 HydrophobicContact CD2-CB 3.92Å; L555-I1029 HydrophobicContact CD2-CD1 4.06Å; L555-L1030 HydrophobicContact CD2-CD1 4.42Å |
| 556 | S | 91.2 | Very high | 89.3 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 26% | 0.259 | 25% | 0.248 | S | C | . | . | trans | -115.7 | 125.6 | 177.5 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | S553 L554 S558 Y559 V560 | S553-S556 PolarHBondContact O-N 3.48Å; S553-S556 VanDerWaalsContact O-N 3.09Å; L554-S556 VanDerWaalsContact C-N 3.28Å; S556-S558 VanDerWaalsContact C-N 3.32Å; S556-S558 PolarHBondContact O-N 3.19Å; S556-S558 PolarHBondContact OG-N 2.75Å; S556-Y559 PolarHBondContact O-N 3.37Å; S556-V560 WeakPolarHBondContact O-CG2 3.39Å; S556-V560 PolarHBondContact O-N 3.47Å; S556-V560 VanDerWaalsContact O-N 3.12Å | ||
| 557 | D | 84.6 | Confident | 89.6 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 174.3 | 58.1 | -10.3 | 0 | 0 | 0 | 112.1 | Y559 V560 I561 V1039 F1040 | D557-Y559 VanDerWaalsContact C-N 3.35Å; D557-Y559 PolarHBondContact O-N 2.82Å; D557-V560 PolarHBondContact O-N 2.92Å; D557-V560 VanDerWaalsContact O-N 3.15Å; D557-I561 WeakPolarHBondContact O-CB 3.3Å; D557-I561 WeakPolarHBondContact O-CD1 3.47Å; D557-I561 WeakPolarHBondContact O-CG1 3.24Å; D557-I561 PolarHBondContact O-N 3.06Å; D557-V1039 HydrophobicContact CB-CG1 4.41Å; D557-F1040 HydrophobicContact CB-CE2 4.34Å; D557-F1040 HydrophobicContact CB-CZ 3.91Å |
| 558 | S | 88.5 | Confident | 89.9 | Confident | 67 Ų | 67 | 46.5 Ų | 46.5 | 47% | 0.469 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 178.8 | -64.7 | 0 | 0 | 0 | 0 | 112 | S556 I561 Y562 | S556-S558 VanDerWaalsContact C-N 3.32Å; S556-S558 PolarHBondContact O-N 3.19Å; S556-S558 PolarHBondContact OG-N 2.75Å; S558-I561 PolarHBondContact O-N 3.38Å; S558-Y562 WeakPolarHBondContact O-CD2 3.27Å; S558-Y562 PolarHBondContact O-N 3.1Å |
| 559 | Y | 90.4 | Very high | 90.3 | Very high | 124 Ų | 124 | 48.9 Ų | 48.9 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 176.8 | -86.7 | -86.6 | 0 | 0 | 0 | 112.6 | S553 S556 D557 Y562 E563 V566 | S553-Y559 WeakPolarHBondContact O-CB 3.25Å; S556-Y559 PolarHBondContact O-N 3.37Å; D557-Y559 VanDerWaalsContact C-N 3.35Å; D557-Y559 PolarHBondContact O-N 2.82Å; Y559-Y562 CarbonylContact O-C 3.54Å; Y559-Y562 PolarHBondContact O-N 3.01Å; Y559-E563 VanDerWaalsContact O-CA 3.27Å; Y559-E563 WeakPolarHBondContact O-CA 3.24Å; Y559-E563 PolarHBondContact O-N 2.99Å; Y559-V566 HydrophobicContact CD1-CB 4.44Å; Y559-V566 HydrophobicContact CD1-CG1 3.94Å; Y559-V566 HydrophobicContact CD1-CG2 3.63Å; Y559-V566 HydrophobicContact CE1-CG1 4.29Å; Y559-V566 HydrophobicContact CE1-CG2 4.11Å |
| 560 | V | 90.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.5 | -36.9 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 111 | L554 S556 D557 V1039 F1040 K1043 | L554-V560 HydrophobicContact CD2-CG2 4.17Å; S556-V560 WeakPolarHBondContact O-CG2 3.39Å; S556-V560 PolarHBondContact O-N 3.47Å; S556-V560 VanDerWaalsContact O-N 3.12Å; D557-V560 PolarHBondContact O-N 2.92Å; D557-V560 VanDerWaalsContact O-N 3.15Å; V560-V1039 HydrophobicContact CB-CG1 3.73Å; V560-V1039 HydrophobicContact CG1-CG1 3.5Å; V560-V1039 VanDerWaalsContact CG1-CG1 3.5Å; V560-V1039 HydrophobicContact CG2-CG1 4.5Å; V560-F1040 HydrophobicContact CG2-CE1 4.4Å; V560-K1043 HydrophobicContact CG1-CB 4Å; V560-K1043 HydrophobicContact CG1-CD 4.16Å; V560-K1043 HydrophobicContact CG1-CG 3.94Å |
| 561 | I | 88.6 | Confident | 90.8 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 176.3 | -70.7 | 162.2 | 0 | 0 | 0 | 111 | D557 S558 E642 Q643 V1039 | D557-I561 WeakPolarHBondContact O-CB 3.3Å; D557-I561 WeakPolarHBondContact O-CD1 3.47Å; D557-I561 WeakPolarHBondContact O-CG1 3.24Å; D557-I561 PolarHBondContact O-N 3.06Å; S558-I561 PolarHBondContact O-N 3.38Å; I561-E642 HydrophobicContact CD1-CB 3.77Å; I561-E642 HydrophobicContact CD1-CG 4.26Å; I561-E642 HydrophobicContact CG1-CB 4.18Å; I561-E642 HydrophobicContact CG2-CB 4.24Å; I561-Q643 HydrophobicContact CG2-CG 3.49Å; I561-Q643 VanDerWaalsContact CG2-CG 3.49Å; I561-Q643 PolarHBondContact O-NE2 3.46Å; I561-V1039 HydrophobicContact CD1-CG2 4.5Å; I561-V1039 HydrophobicContact CG1-CG2 4.43Å |
| 562 | Y | 90.6 | Very high | 90.9 | Very high | 88 Ų | 88 | 45.3 Ų | 45.3 | 35% | 0.345 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 19.1 | -179.5 | -73.6 | -82.1 | 0 | 0 | 0 | 114.3 | S558 Y559 G564 R565 V566 Q643 | S558-Y562 WeakPolarHBondContact O-CD2 3.27Å; S558-Y562 PolarHBondContact O-N 3.1Å; Y559-Y562 CarbonylContact O-C 3.54Å; Y559-Y562 PolarHBondContact O-N 3.01Å; Y562-G564 VanDerWaalsContact C-N 3.3Å; Y562-G564 PolarHBondContact O-N 3.24Å; Y562-G564 VanDerWaalsContact O-N 3.15Å; Y562-R565 PolarHBondContact O-N 2.86Å; Y562-V566 WeakPolarHBondContact O-CG2 3.44Å; Y562-V566 PolarHBondContact O-N 3.39Å; Y562-V566 VanDerWaalsContact O-N 3.15Å; Y562-Q643 HydrophobicContact CE1-CG 3.95Å; Y562-Q643 HydrophobicContact CE2-CG 4.26Å; Y562-Q643 PolarHBondContact OH-O 3.27Å |
| 563 | E | 90.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.9 | -40.6 | -169.7 | -175.2 | 177.8 | -167.6 | 0 | 0 | 113.3 | R550 Y559 R565 V566 V567 H911 K1043 | R550-E563 IonicContact CZ-OE1 2.73Å; R550-E563 IonicContact NE-OE1 3.77Å; R550-E563 IonicContact NH2-OE1 2.92Å; R550-E563 PolarHBondContact NH2-OE1 3.3Å; Y559-E563 VanDerWaalsContact O-CA 3.27Å; Y559-E563 WeakPolarHBondContact O-CA 3.24Å; Y559-E563 PolarHBondContact O-N 2.99Å; E563-R565 VanDerWaalsContact C-N 3.25Å; E563-R565 PolarHBondContact O-N 3.46Å; E563-V566 PolarHBondContact O-N 2.75Å; E563-V567 HydrophobicContact CG-CG2 3.66Å; E563-V567 WeakPolarHBondContact O-CG2 3.47Å; E563-V567 PolarHBondContact O-N 3.42Å; E563-H911 IonicContact OE2-NE2 3.6Å; E563-K1043 IonicContact OE1-NZ 3.73Å; E563-K1043 PolarHBondContact OE1-NZ 3.37Å; E563-K1043 VanDerWaalsContact OE2-CE 3.29Å; E563-K1043 WeakPolarHBondContact OE2-CE 3.32Å; E563-K1043 IonicContact OE2-NZ 3.3Å; E563-K1043 PolarHBondContact OE2-NZ 2.86Å |
| 564 | G | 89.9 | Confident | 91.3 | Very high | 7 Ų | 7 | 44 Ų | 44 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.3 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y562 T568 H911 | Y562-G564 VanDerWaalsContact C-N 3.3Å; Y562-G564 PolarHBondContact O-N 3.24Å; Y562-G564 VanDerWaalsContact O-N 3.15Å; G564-T568 WeakPolarHBondContact O-CB 3.42Å; G564-T568 PolarHBondContact O-N 2.93Å; G564-T568 PolarHBondContact O-OG1 2.95Å; G564-H911 WeakPolarHBondContact CA-CD2 3.18Å; G564-H911 PolarHBondContact N-NE2 3.25Å |
| 565 | R | 91.2 | Very high | 91.5 | Very high | 161 Ų | 161 | 43.8 Ų | 43.8 | 61% | 0.608 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -74.6 | -40.1 | 175.3 | -63.7 | -173.4 | -178.6 | -179.7 | 0.7 | 111.9 | Y562 E563 T568 F569 | Y562-R565 PolarHBondContact O-N 2.86Å; E563-R565 VanDerWaalsContact C-N 3.25Å; E563-R565 PolarHBondContact O-N 3.46Å; R565-T568 PolarHBondContact O-N 3.16Å; R565-F569 WeakPolarHBondContact O-CB 3.3Å; R565-F569 PolarHBondContact O-N 3.41Å |
| 566 | V | 91.5 | Very high | 91.7 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -49.6 | 179.2 | 175 | 0 | 0 | 0 | 0 | 110.5 | Y559 Y562 E563 T568 F569 L570 | Y559-V566 HydrophobicContact CD1-CB 4.44Å; Y559-V566 HydrophobicContact CD1-CG1 3.94Å; Y559-V566 HydrophobicContact CD1-CG2 3.63Å; Y559-V566 HydrophobicContact CE1-CG1 4.29Å; Y559-V566 HydrophobicContact CE1-CG2 4.11Å; Y562-V566 WeakPolarHBondContact O-CG2 3.44Å; Y562-V566 PolarHBondContact O-N 3.39Å; Y562-V566 VanDerWaalsContact O-N 3.15Å; E563-V566 PolarHBondContact O-N 2.75Å; V566-T568 VanDerWaalsContact C-N 3.34Å; V566-T568 PolarHBondContact O-N 3.34Å; V566-F569 WeakPolarHBondContact O-CB 3.39Å; V566-F569 PolarHBondContact O-N 3Å; V566-L570 HydrophobicContact CG1-CD1 4.1Å; V566-L570 HydrophobicContact CG1-CG 4.43Å; V566-L570 VanDerWaalsContact O-CG 3.31Å; V566-L570 WeakPolarHBondContact O-CG 3.22Å; V566-L570 PolarHBondContact O-N 3.26Å |
| 567 | V | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 179.9 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | E563 F569 L570 L571 L904 Q908 | E563-V567 HydrophobicContact CG-CG2 3.66Å; E563-V567 WeakPolarHBondContact O-CG2 3.47Å; E563-V567 PolarHBondContact O-N 3.42Å; V567-F569 VanDerWaalsContact C-N 3.34Å; V567-F569 PolarHBondContact O-N 3.08Å; V567-L570 PolarHBondContact O-N 2.96Å; V567-L571 WeakPolarHBondContact O-CB 3.49Å; V567-L571 PolarHBondContact O-N 2.81Å; V567-L904 HydrophobicContact CG1-CB 4.39Å; V567-L904 HydrophobicContact CG1-CD2 4.08Å; V567-L904 WeakPolarHBondContact CG1-O 3.45Å; V567-Q908 HydrophobicContact CG1-CB 3.95Å |
| 568 | T | 93.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 173.9 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | G564 R565 V566 L571 L572 A630 L634 Q908 | G564-T568 WeakPolarHBondContact O-CB 3.42Å; G564-T568 PolarHBondContact O-N 2.93Å; G564-T568 PolarHBondContact O-OG1 2.95Å; R565-T568 PolarHBondContact O-N 3.16Å; V566-T568 VanDerWaalsContact C-N 3.34Å; V566-T568 PolarHBondContact O-N 3.34Å; T568-L571 PolarHBondContact O-N 3.21Å; T568-L572 HydrophobicContact CG2-CD1 4.42Å; T568-L572 WeakPolarHBondContact O-CG 3.21Å; T568-L572 PolarHBondContact O-N 3.26Å; T568-L572 VanDerWaalsContact O-N 3.1Å; T568-A630 HydrophobicContact CG2-CB 4.11Å; T568-L634 HydrophobicContact CG2-CD2 4.16Å; T568-Q908 VanDerWaalsContact OG1-CG 3.3Å; T568-Q908 WeakPolarHBondContact OG1-CG 3.32Å |
| 569 | F | 93.2 | Very high | 92.3 | Very high | 138 Ų | 138 | 40.3 Ų | 40.3 | 61% | 0.605 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -62.3 | -44.1 | 176.4 | 172.4 | -97.7 | 0 | 0 | 0 | 112.7 | R565 V566 V567 L572 S573 | R565-F569 WeakPolarHBondContact O-CB 3.3Å; R565-F569 PolarHBondContact O-N 3.41Å; V566-F569 WeakPolarHBondContact O-CB 3.39Å; V566-F569 PolarHBondContact O-N 3Å; V567-F569 VanDerWaalsContact C-N 3.34Å; V567-F569 PolarHBondContact O-N 3.08Å; F569-L572 PolarHBondContact O-N 3.32Å; F569-S573 VanDerWaalsContact O-CB 3.3Å; F569-S573 WeakPolarHBondContact O-CB 3.19Å; F569-S573 PolarHBondContact O-N 2.95Å; F569-S573 PolarHBondContact O-OG 3.49Å |
| 570 | L | 93.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -38.8 | 179 | -67.5 | 178.4 | 0 | 0 | 0 | 112.1 | V546 R550 V566 V567 S573 L574 L904 | V546-L570 HydrophobicContact CG1-CB 3.93Å; V546-L570 HydrophobicContact CG1-CD2 4.21Å; V546-L570 HydrophobicContact CG1-CG 4.46Å; R550-L570 HydrophobicContact CB-CD1 3.82Å; R550-L570 HydrophobicContact CG-CD1 4.41Å; V566-L570 HydrophobicContact CG1-CD1 4.1Å; V566-L570 HydrophobicContact CG1-CG 4.43Å; V566-L570 VanDerWaalsContact O-CG 3.31Å; V566-L570 WeakPolarHBondContact O-CG 3.22Å; V566-L570 PolarHBondContact O-N 3.26Å; V567-L570 PolarHBondContact O-N 2.96Å; L570-S573 PolarHBondContact O-N 3.44Å; L570-L574 WeakPolarHBondContact O-CB 3.26Å; L570-L574 PolarHBondContact O-N 2.94Å; L570-L904 HydrophobicContact CB-CD1 4.47Å; L570-L904 HydrophobicContact CB-CD2 4.34Å |
| 571 | L | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.4 | -52.9 | 174.8 | 175.8 | 65.5 | 0 | 0 | 0 | 111.1 | V567 T568 S573 L574 A575 L626 E867 L901 L904 A905 | V567-L571 WeakPolarHBondContact O-CB 3.49Å; V567-L571 PolarHBondContact O-N 2.81Å; T568-L571 PolarHBondContact O-N 3.21Å; L571-S573 VanDerWaalsContact C-N 3.33Å; L571-S573 PolarHBondContact O-N 3.44Å; L571-L574 PolarHBondContact O-N 2.9Å; L571-A575 WeakPolarHBondContact O-CB 3.15Å; L571-A575 PolarHBondContact O-N 3.15Å; L571-L626 HydrophobicContact CD2-CD1 4.41Å; L571-E867 WeakPolarHBondContact CD2-OE1 3.35Å; L571-L901 HydrophobicContact CD1-CB 4.46Å; L571-L901 HydrophobicContact CD1-CD2 3.82Å; L571-L901 WeakPolarHBondContact CD1-O 3.39Å; L571-L904 HydrophobicContact CB-CB 4.14Å; L571-L904 HydrophobicContact CD1-CB 3.96Å; L571-A905 HydrophobicContact CD1-CB 4.25Å; L571-A905 HydrophobicContact CD2-CB 4.28Å |
| 572 | L | 94.6 | Very high | 92.2 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 17% | 0.168 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | -179.8 | -67.1 | -179.7 | 0 | 0 | 0 | 111.8 | T568 F569 A575 L576 L626 V627 A630 | T568-L572 HydrophobicContact CG2-CD1 4.42Å; T568-L572 WeakPolarHBondContact O-CG 3.21Å; T568-L572 PolarHBondContact O-N 3.26Å; T568-L572 VanDerWaalsContact O-N 3.1Å; F569-L572 PolarHBondContact O-N 3.32Å; L572-A575 PolarHBondContact O-N 3.32Å; L572-L576 WeakPolarHBondContact O-CB 3.38Å; L572-L576 WeakPolarHBondContact O-CG 3.36Å; L572-L576 PolarHBondContact O-N 3.46Å; L572-L626 HydrophobicContact CD2-CG 4.34Å; L572-V627 HydrophobicContact CD2-CG2 3.96Å; L572-A630 HydrophobicContact CD1-CB 4.27Å; L572-A630 HydrophobicContact CD2-CB 3.87Å; L572-A630 HydrophobicContact CG-CB 4.27Å |
| 573 | S | 93.3 | Very high | 92.2 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 32% | 0.315 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62 | -45.9 | 177.3 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | F569 L570 L571 A575 L576 Y577 | F569-S573 VanDerWaalsContact O-CB 3.3Å; F569-S573 WeakPolarHBondContact O-CB 3.19Å; F569-S573 PolarHBondContact O-N 2.95Å; F569-S573 PolarHBondContact O-OG 3.49Å; L570-S573 PolarHBondContact O-N 3.44Å; L571-S573 VanDerWaalsContact C-N 3.33Å; L571-S573 PolarHBondContact O-N 3.44Å; S573-A575 VanDerWaalsContact C-N 3.33Å; S573-L576 PolarHBondContact O-N 2.99Å; S573-Y577 PolarHBondContact O-N 3.46Å; S573-Y577 VanDerWaalsContact O-N 3.08Å |
| 574 | L | 93.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.3 | -31.6 | 177.8 | -175.2 | 61.1 | 0 | 0 | 0 | 112.1 | V546 L570 L571 Y577 T897 A900 L901 L904 | V546-L574 HydrophobicContact CG1-CB 4.49Å; V546-L574 HydrophobicContact CG2-CD1 4.45Å; L570-L574 WeakPolarHBondContact O-CB 3.26Å; L570-L574 PolarHBondContact O-N 2.94Å; L571-L574 PolarHBondContact O-N 2.9Å; L574-Y577 HydrophobicContact CD1-CD1 4.28Å; L574-Y577 WeakPolarHBondContact O-CB 3.21Å; L574-Y577 PolarHBondContact O-N 3.36Å; L574-T897 HydrophobicContact CD1-CG2 4.19Å; L574-T897 HydrophobicContact CG-CG2 4.33Å; L574-A900 HydrophobicContact CD2-CB 3.69Å; L574-L901 HydrophobicContact CB-CD2 3.75Å; L574-L901 HydrophobicContact CD2-CD2 3.88Å; L574-L901 HydrophobicContact CD2-CG 3.89Å; L574-L901 HydrophobicContact CG-CD2 3.72Å; L574-L901 HydrophobicContact CG-CG 3.99Å; L574-L904 HydrophobicContact CD2-CD1 4.08Å |
| 575 | A | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L571 L572 S573 Y577 V578 P579 L623 L626 L901 | L571-A575 WeakPolarHBondContact O-CB 3.15Å; L571-A575 PolarHBondContact O-N 3.15Å; L572-A575 PolarHBondContact O-N 3.32Å; S573-A575 VanDerWaalsContact C-N 3.33Å; A575-Y577 VanDerWaalsContact C-N 3.28Å; A575-Y577 PolarHBondContact O-N 2.88Å; A575-V578 WeakPolarHBondContact O-CB 3.47Å; A575-V578 PolarHBondContact O-N 3.15Å; A575-P579 WeakPolarHBondContact O-CD 3.27Å; A575-L623 HydrophobicContact CB-CD1 3.88Å; A575-L626 HydrophobicContact CB-CD2 3.35Å; A575-L901 HydrophobicContact CB-CD2 4.04Å |
| 576 | L | 93.3 | Very high | 91.2 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 46% | 0.461 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -32.1 | 174.1 | -78 | 165.2 | 0 | 0 | 0 | 112.7 | L572 S573 V578 P579 V580 L623 | L572-L576 WeakPolarHBondContact O-CB 3.38Å; L572-L576 WeakPolarHBondContact O-CG 3.36Å; L572-L576 PolarHBondContact O-N 3.46Å; S573-L576 PolarHBondContact O-N 2.99Å; L576-V578 PolarHBondContact O-N 3.3Å; L576-P579 WeakPolarHBondContact O-CD 3.42Å; L576-P579 WeakPolarHBondContact O-CG 3.42Å; L576-V580 VanDerWaalsContact O-CG2 3.3Å; L576-V580 WeakPolarHBondContact O-CG2 3.5Å; L576-V580 PolarHBondContact O-N 3.42Å; L576-L623 HydrophobicContact CD2-CD2 3.88Å |
| 577 | Y | 92.3 | Very high | 90.8 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -31.2 | 174.8 | 171.8 | -102.4 | 0 | 0 | 0 | 112.8 | P542 S573 L574 A575 R581 | P542-Y577 HydrophobicContact CB-CD1 4.26Å; P542-Y577 HydrophobicContact CB-CD2 4.25Å; P542-Y577 HydrophobicContact CB-CE1 4.03Å; P542-Y577 HydrophobicContact CB-CE2 4.02Å; P542-Y577 HydrophobicContact CB-CG 4.36Å; P542-Y577 HydrophobicContact CG-CD2 4.28Å; P542-Y577 HydrophobicContact CG-CE1 4.32Å; P542-Y577 HydrophobicContact CG-CE2 3.67Å; S573-Y577 PolarHBondContact O-N 3.46Å; S573-Y577 VanDerWaalsContact O-N 3.08Å; L574-Y577 HydrophobicContact CD1-CD1 4.28Å; L574-Y577 WeakPolarHBondContact O-CB 3.21Å; L574-Y577 PolarHBondContact O-N 3.36Å; A575-Y577 VanDerWaalsContact C-N 3.28Å; A575-Y577 PolarHBondContact O-N 2.88Å; Y577-R581 HydrophobicContact CE1-CB 4.23Å; Y577-R581 HydrophobicContact CE1-CG 4.38Å; Y577-R581 HydrophobicContact CE2-CB 4.22Å; Y577-R581 WeakPolarHBondContact O-CB 3.43Å; Y577-R581 PolarHBondContact O-N 2.72Å; Y577-R581 WeakPolarHBondContact OH-CD 3.26Å |
| 578 | V | 92.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -59.3 | -178.3 | 178.5 | 0 | 0 | 0 | 0 | 112.8 | A575 L576 R581 L582 L619 I874 A878 T897 L901 | A575-V578 WeakPolarHBondContact O-CB 3.47Å; A575-V578 PolarHBondContact O-N 3.15Å; L576-V578 PolarHBondContact O-N 3.3Å; V578-R581 PolarHBondContact O-N 3.22Å; V578-L582 HydrophobicContact CG1-CD1 4.08Å; V578-L582 VanDerWaalsContact O-CG 3.32Å; V578-L582 WeakPolarHBondContact O-CG 3.47Å; V578-L582 PolarHBondContact O-N 2.9Å; V578-L619 HydrophobicContact CG1-CD1 4.49Å; V578-I874 HydrophobicContact CG1-CG2 4.24Å; V578-A878 HydrophobicContact CG1-CB 3.78Å; V578-T897 HydrophobicContact CG2-CG2 3.86Å; V578-L901 HydrophobicContact CG2-CD1 4.32Å |
| 579 | P | 92.6 | Very high | 89.4 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -36.9 | 177.8 | 25.5 | -34.9 | 0 | 0 | 0 | 112.6 | A575 L576 R581 L582 N583 L619 L623 | A575-P579 WeakPolarHBondContact O-CD 3.27Å; L576-P579 WeakPolarHBondContact O-CD 3.42Å; L576-P579 WeakPolarHBondContact O-CG 3.42Å; P579-R581 VanDerWaalsContact C-N 3.29Å; P579-R581 PolarHBondContact O-N 3.34Å; P579-L582 PolarHBondContact O-N 2.59Å; P579-N583 WeakPolarHBondContact O-CB 3.42Å; P579-N583 PolarHBondContact O-N 3.35Å; P579-L619 HydrophobicContact CB-CD2 3.93Å; P579-L623 HydrophobicContact CG-CD2 4.15Å |
| 580 | V | 91 | Very high | 88.1 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 56% | 0.558 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59 | -44.6 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | L576 N583 W584 | L576-V580 VanDerWaalsContact O-CG2 3.3Å; L576-V580 WeakPolarHBondContact O-CG2 3.5Å; L576-V580 PolarHBondContact O-N 3.42Å; V580-N583 PolarHBondContact O-N 2.64Å; V580-W584 WeakPolarHBondContact O-CB 3.49Å; V580-W584 PolarHBondContact O-N 3.3Å |
| 581 | R | 88.9 | Confident | 86.6 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 178.3 | -173.8 | 65.7 | -168.5 | -157 | 7 | 112.1 | Y577 V578 P579 N583 W584 D585 | Y577-R581 HydrophobicContact CE1-CB 4.23Å; Y577-R581 HydrophobicContact CE1-CG 4.38Å; Y577-R581 HydrophobicContact CE2-CB 4.22Å; Y577-R581 WeakPolarHBondContact O-CB 3.43Å; Y577-R581 PolarHBondContact O-N 2.72Å; Y577-R581 WeakPolarHBondContact OH-CD 3.26Å; V578-R581 PolarHBondContact O-N 3.22Å; P579-R581 VanDerWaalsContact C-N 3.29Å; P579-R581 PolarHBondContact O-N 3.34Å; R581-N583 VanDerWaalsContact C-N 3.28Å; R581-N583 PolarHBondContact O-N 2.68Å; R581-W584 PolarHBondContact O-N 3.08Å; R581-D585 WeakPolarHBondContact CG-OD2 3.32Å; R581-D585 IonicContact CZ-OD1 3.7Å; R581-D585 IonicContact CZ-OD2 3.95Å; R581-D585 IonicContact NE-OD1 2.89Å; R581-D585 PolarHBondContact NE-OD1 2.86Å; R581-D585 IonicContact NE-OD2 3.91Å; R581-D585 PolarHBondContact NE-OD2 3.14Å; R581-D585 IonicContact NH2-OD1 3.43Å; R581-D585 PolarHBondContact NH2-OD1 2.86Å; R581-D585 IonicContact NH2-OD2 3.98Å; R581-D585 WeakPolarHBondContact O-CB 3.45Å; R581-D585 VanDerWaalsContact O-CG 3.28Å; R581-D585 PolarHBondContact O-N 3.3Å |
| 582 | L | 88.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 175.7 | -70.9 | 169 | 0 | 0 | 0 | 112.1 | V578 P579 G586 H587 L588 L619 A878 L881 R882 | V578-L582 HydrophobicContact CG1-CD1 4.08Å; V578-L582 VanDerWaalsContact O-CG 3.32Å; V578-L582 WeakPolarHBondContact O-CG 3.47Å; V578-L582 PolarHBondContact O-N 2.9Å; P579-L582 PolarHBondContact O-N 2.59Å; L582-G586 PolarHBondContact O-N 3.11Å; L582-H587 HydrophobicContact CD2-CB 4.27Å; L582-H587 PolarHBondContact O-N 2.89Å; L582-L588 HydrophobicContact CB-CB 4.38Å; L582-L588 HydrophobicContact CB-CD1 4.05Å; L582-L588 HydrophobicContact CD1-CD1 4.41Å; L582-L588 PolarHBondContact O-N 3.41Å; L582-L619 HydrophobicContact CD1-CD2 3.66Å; L582-A878 HydrophobicContact CD1-CB 3.95Å; L582-L881 HydrophobicContact CD1-CD1 4.09Å; L582-L881 HydrophobicContact CD2-CB 4.35Å; L582-R882 HydrophobicContact CD2-CG 3.49Å; L582-R882 VanDerWaalsContact CD2-CG 3.49Å |
| 583 | N | 89.3 | Confident | 82.7 | Confident | 86 Ų | 86 | 69 Ų | 69 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 175.2 | -171.5 | 58.3 | 0 | 0 | 0 | 111.5 | P579 V580 R581 D585 G586 L588 | P579-N583 WeakPolarHBondContact O-CB 3.42Å; P579-N583 PolarHBondContact O-N 3.35Å; V580-N583 PolarHBondContact O-N 2.64Å; R581-N583 VanDerWaalsContact C-N 3.28Å; R581-N583 PolarHBondContact O-N 2.68Å; N583-D585 VanDerWaalsContact C-N 3.29Å; N583-D585 PolarHBondContact O-N 2.8Å; N583-G586 PolarHBondContact O-N 3.38Å; N583-L588 HydrophobicContact CB-CB 4.02Å; N583-L588 HydrophobicContact CB-CD2 3.94Å |
| 584 | W | 86 | Confident | 80.5 | Confident | 210 Ų | 210 | 71.3 Ų | 71.3 | 80% | 0.795 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.3 | -41 | 177.4 | -169.1 | -79.3 | 0 | 0 | 0 | 112.5 | V580 R581 G586 | V580-W584 WeakPolarHBondContact O-CB 3.49Å; V580-W584 PolarHBondContact O-N 3.3Å; R581-W584 PolarHBondContact O-N 3.08Å; W584-G586 PolarHBondContact O-N 2.8Å |
| 585 | D | 83 | Confident | 78.4 | Confident | 63 Ų | 63 | 76.5 Ų | 76.5 | 34% | 0.337 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 2.3 | 178.1 | -63.2 | -27.1 | 0 | 0 | 0 | 112.1 | R581 N583 | R581-D585 WeakPolarHBondContact CG-OD2 3.32Å; R581-D585 IonicContact CZ-OD1 3.7Å; R581-D585 IonicContact CZ-OD2 3.95Å; R581-D585 IonicContact NE-OD1 2.89Å; R581-D585 PolarHBondContact NE-OD1 2.86Å; R581-D585 IonicContact NE-OD2 3.91Å; R581-D585 PolarHBondContact NE-OD2 3.14Å; R581-D585 IonicContact NH2-OD1 3.43Å; R581-D585 PolarHBondContact NH2-OD1 2.86Å; R581-D585 IonicContact NH2-OD2 3.98Å; R581-D585 WeakPolarHBondContact O-CB 3.45Å; R581-D585 VanDerWaalsContact O-CG 3.28Å; R581-D585 PolarHBondContact O-N 3.3Å; N583-D585 VanDerWaalsContact C-N 3.29Å; N583-D585 PolarHBondContact O-N 2.8Å |
| 586 | G | 82.1 | Confident | 76.2 | Confident | 46 Ų | 46 | 84.4 Ų | 84.4 | 47% | 0.474 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 15.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L582 N583 W584 | L582-G586 PolarHBondContact O-N 3.11Å; N583-G586 PolarHBondContact O-N 3.38Å; W584-G586 PolarHBondContact O-N 2.8Å |
| 587 | H | 82.8 | Confident | 73.9 | Confident | 73 Ų | 73 | 88.5 Ų | 88.5 | 34% | 0.338 | 47% | 0.474 | S | S | . | . | trans | -95.7 | -13.8 | -175.7 | -65.3 | -59.6 | 0 | 0 | 0 | 114.4 | L582 L881 | L582-H587 HydrophobicContact CD2-CB 4.27Å; L582-H587 PolarHBondContact O-N 2.89Å; H587-L881 PolarHBondContact ND1-O 3Å | ||
| 588 | L | 81.3 | Confident | 71.7 | Confident | 30 Ų | 30 | 90.9 Ų | 90.9 | 16% | 0.157 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -88.3 | -30.5 | -172.6 | -158.8 | 81.1 | 0 | 0 | 0 | 113.8 | L582 N583 S616 L619 L881 | L582-L588 HydrophobicContact CB-CB 4.38Å; L582-L588 HydrophobicContact CB-CD1 4.05Å; L582-L588 HydrophobicContact CD1-CD1 4.41Å; L582-L588 PolarHBondContact O-N 3.41Å; N583-L588 HydrophobicContact CB-CB 4.02Å; N583-L588 HydrophobicContact CB-CD2 3.94Å; L588-S616 PolarHBondContact O-OG 2.81Å; L588-L619 HydrophobicContact CD1-CD2 3.79Å; L588-L881 HydrophobicContact CD1-CD1 4.27Å |
| 589 | V | 77.1 | Confident | 69.3 | Low | 90 Ų | 90 | 95.4 Ų | 95.4 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -110.8 | 133.2 | -176.3 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | L591 | V589-L591 PolarHBondContact O-N 3.31Š|
| 590 | P | 65.9 | Low | 67 | Low | 41 Ų | 41 | 98.2 Ų | 98.2 | 27% | 0.266 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 126.8 | 174.2 | -17.8 | 29.4 | 0 | 0 | 0 | 110.5 | T592 P609 V612 R613 | P590-T592 PolarHBondContact O-N 3.01Å; P590-T592 VanDerWaalsContact O-N 3.17Å; P590-P609 HydrophobicContact CB-CB 4.15Å; P590-V612 HydrophobicContact CG-CG1 4.25Å; P590-R613 HydrophobicContact CG-CG 4.16Å |
| 591 | L | 61.8 | Low | 64.7 | Low | 158 Ų | 158 | 102 Ų | 102 | 83% | 0.827 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.7 | 170.3 | -81.9 | 147.5 | 0 | 0 | 0 | 109 | V589 S593 | V589-L591 PolarHBondContact O-N 3.31Å; L591-S593 PolarHBondContact O-N 3.05Å |
| 592 | T | 55.6 | Low | 62.4 | Low | 131 Ų | 131 | 105.2 Ų | 105.2 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120.3 | 169 | 45.4 | 0 | 0 | 0 | 0 | 108.1 | P590 D594 | P590-T592 PolarHBondContact O-N 3.01Å; P590-T592 VanDerWaalsContact O-N 3.17Å; T592-D594 PolarHBondContact O-N 3.25Å |
| 593 | S | 52.1 | Low | 60.3 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 79% | 0.79 | 65% | 0.646 | S | S | * | * | trans | -64.7 | 100.1 | 173.8 | 49.8 | 0 | 0 | 0 | 0 | 108.9 | L591 P595 | L591-S593 PolarHBondContact O-N 3.05Å; S593-P595 VanDerWaalsContact O-CD 3.27Å; S593-P595 WeakPolarHBondContact O-CD 3.48Å | ||
| 594 | D | 45.5 | Very low | 58.3 | Low | 95 Ų | 95 | 112 Ų | 112 | 51% | 0.508 | 66% | 0.661 | S | S | . | * | trans | -72.7 | 111.4 | 173.6 | -153.2 | -2 | 0 | 0 | 0 | 108 | T592 L596 K597 | T592-D594 PolarHBondContact O-N 3.25Å; D594-L596 PolarHBondContact O-N 3.25Å; D594-K597 PolarHBondContact O-N 2.89Å | ||
| 595 | P | 49.9 | Very low | 56.8 | Low | 111 Ų | 111 | 107 Ų | 107 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -14.4 | -170.2 | -20.3 | 31.8 | 0 | 0 | 0 | 114.3 | S593 | S593-P595 VanDerWaalsContact O-CD 3.27Å; S593-P595 WeakPolarHBondContact O-CD 3.48Å |
| 596 | L | 48.4 | Very low | 55.6 | Low | 165 Ų | 165 | 107.8 Ų | 107.8 | 86% | 0.864 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -1.6 | -176.5 | -75.5 | 158.1 | 0 | 0 | 0 | 114.2 | D594 | D594-L596 PolarHBondContact O-N 3.25Š|
| 597 | K | 44.9 | Very low | 55 | Low | 175 Ų | 175 | 106.8 Ų | 106.8 | 76% | 0.761 | 65% | 0.654 | S | S | * | * | trans | -111.5 | 26.1 | -178.1 | -83.7 | -178 | 179.2 | 167.7 | 0 | 114.6 | D594 | D594-K597 PolarHBondContact O-N 2.89Š| ||
| 598 | S | 47.3 | Very low | 54.7 | Low | 107 Ų | 107 | 105 Ų | 105 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -99 | 85.5 | 174.5 | 59.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 599 | A | 41.9 | Very low | 54.6 | Low | 102 Ų | 102 | 107 Ų | 107 | 84% | 0.843 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -161 | 99.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 600 | G | 44.3 | Very low | 54.8 | Low | 77 Ų | 77 | 105.5 Ų | 105.5 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 125.9 | -32.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 601 | L | 41.7 | Very low | 55.5 | Low | 170 Ų | 170 | 103.9 Ų | 103.9 | 89% | 0.89 | 65% | 0.651 | S | S | * | * | trans | -145.6 | 13 | -158.8 | -95.2 | 150.7 | 0 | 0 | 0 | 118.9 | ||||
| 602 | L | 41.1 | Very low | 56.5 | Low | 167 Ų | 167 | 97.2 Ų | 97.2 | 87% | 0.874 | 62% | 0.617 | S | S | * | * | trans | -110.9 | 134.3 | 176 | -76.7 | 165.2 | 0 | 0 | 0 | 112.4 | ||||
| 603 | P | 44.8 | Very low | 58 | Low | 118 Ų | 118 | 98.6 Ų | 98.6 | 77% | 0.766 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 138.9 | 177 | 24.4 | -30.8 | 0 | 0 | 0 | 110.5 | ||
| 604 | S | 47.1 | Very low | 59.7 | Low | 110 Ų | 110 | 99.8 Ų | 99.8 | 77% | 0.769 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -55 | 141.9 | 175.7 | -50.7 | 0 | 0 | 0 | 0 | 111 | A606 | S604-A606 PolarHBondContact O-N 3.15Š|
| 605 | P | 53.6 | Low | 61.7 | Low | 106 Ų | 106 | 95.3 Ų | 95.3 | 69% | 0.688 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.5 | 178.6 | 22.6 | -31.5 | 0 | 0 | 0 | 111 | L607 | P605-L607 PolarHBondContact O-N 3.43Š|
| 606 | A | 58.4 | Low | 63.6 | Low | 78 Ų | 78 | 90.6 Ų | 90.6 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -64.3 | -22.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S604 | S604-A606 PolarHBondContact O-N 3.15Š|
| 607 | L | 68.9 | Low | 65.6 | Low | 26 Ų | 26 | 86.7 Ų | 86.7 | 14% | 0.136 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -127.7 | 147.5 | 179.8 | -72 | 172.1 | 0 | 0 | 0 | 110.7 | P605 A611 V612 N880 | P605-L607 PolarHBondContact O-N 3.43Å; L607-A611 HydrophobicContact CB-CB 4.43Å; L607-A611 HydrophobicContact CD2-CB 4.35Å; L607-V612 HydrophobicContact CB-CG2 3.9Å; L607-N880 WeakPolarHBondContact CD1-O 3.44Å |
| 608 | S | 76.9 | Confident | 67.7 | Low | 34 Ų | 34 | 79.6 Ų | 79.6 | 24% | 0.238 | 50% | 0.503 | C | S | . | . | trans | -68.3 | 150.2 | 173.5 | 69.7 | 0 | 0 | 0 | 0 | 111 | A610 A611 V612 | S608-A610 PolarHBondContact O-N 3.4Å; S608-A610 VanDerWaalsContact O-N 3.12Å; S608-A611 WeakPolarHBondContact O-CB 3.25Å; S608-A611 PolarHBondContact O-N 3.46Å; S608-A611 WeakPolarHBondContact OG-CB 3.45Å; S608-A611 PolarHBondContact OG-N 3.07Å; S608-A611 VanDerWaalsContact OG-N 3.15Å; S608-V612 PolarHBondContact O-N 3.33Å | ||
| 609 | P | 78.8 | Confident | 69.9 | Low | 73 Ų | 73 | 74.6 Ų | 74.6 | 47% | 0.474 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -54.1 | -32.2 | 174.6 | -28.6 | 35.7 | 0 | 0 | 0 | 113.7 | P590 R613 | P590-P609 HydrophobicContact CB-CB 4.15Å; P609-R613 WeakPolarHBondContact O-CG 3.45Å; P609-R613 PolarHBondContact O-N 2.94Å; P609-R613 VanDerWaalsContact O-N 3.07Å |
| 610 | A | 81.3 | Confident | 72.4 | Confident | 58 Ų | 58 | 74.6 Ų | 74.6 | 48% | 0.479 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S608 R613 K614 | S608-A610 PolarHBondContact O-N 3.4Å; S608-A610 VanDerWaalsContact O-N 3.12Å; A610-R613 PolarHBondContact O-N 2.82Å; A610-K614 PolarHBondContact O-N 2.99Å |
| 611 | A | 79.9 | Confident | 74.8 | Confident | 7 Ų | 7 | 73 Ų | 73 | 6% | 0.058 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L607 S608 R613 K614 E615 V972 | L607-A611 HydrophobicContact CB-CB 4.43Å; L607-A611 HydrophobicContact CD2-CB 4.35Å; S608-A611 WeakPolarHBondContact O-CB 3.25Å; S608-A611 PolarHBondContact O-N 3.46Å; S608-A611 WeakPolarHBondContact OG-CB 3.45Å; S608-A611 PolarHBondContact OG-N 3.07Å; S608-A611 VanDerWaalsContact OG-N 3.15Å; A611-R613 PolarHBondContact O-N 3.4Å; A611-K614 PolarHBondContact O-N 3.39Å; A611-E615 WeakPolarHBondContact O-CG 3.31Å; A611-E615 PolarHBondContact O-N 3.06Å; A611-V972 HydrophobicContact CB-CG1 3.77Å |
| 612 | V | 83.9 | Confident | 77.4 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 175 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | P590 L607 S608 K614 E615 S616 L881 | P590-V612 HydrophobicContact CG-CG1 4.25Å; L607-V612 HydrophobicContact CB-CG2 3.9Å; S608-V612 PolarHBondContact O-N 3.33Å; V612-K614 VanDerWaalsContact C-N 3.34Å; V612-K614 PolarHBondContact O-N 3.36Å; V612-E615 PolarHBondContact O-N 3.35Å; V612-S616 VanDerWaalsContact O-CB 3.3Å; V612-S616 WeakPolarHBondContact O-CB 3.34Å; V612-S616 PolarHBondContact O-N 2.96Å; V612-S616 PolarHBondContact O-OG 3.17Å; V612-S616 VanDerWaalsContact O-OG 3.07Å; V612-L881 HydrophobicContact CB-CD2 4.47Å; V612-L881 HydrophobicContact CG1-CD2 4.06Å |
| 613 | R | 86.5 | Confident | 80.1 | Confident | 160 Ų | 160 | 59 Ų | 59 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.2 | -42.6 | 176.3 | -77.3 | -169.3 | -65.5 | -121.5 | 2.6 | 112.9 | P590 P609 A610 A611 S617 | P590-R613 HydrophobicContact CG-CG 4.16Å; P609-R613 WeakPolarHBondContact O-CG 3.45Å; P609-R613 PolarHBondContact O-N 2.94Å; P609-R613 VanDerWaalsContact O-N 3.07Å; A610-R613 PolarHBondContact O-N 2.82Å; A611-R613 PolarHBondContact O-N 3.4Å; R613-S617 VanDerWaalsContact O-CB 3.27Å; R613-S617 WeakPolarHBondContact O-CB 3.19Å; R613-S617 PolarHBondContact O-N 2.93Å |
| 614 | K | 87.4 | Confident | 82.6 | Confident | 137 Ų | 137 | 55.4 Ų | 55.4 | 60% | 0.596 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.7 | -48.6 | 178.6 | -176.9 | -176.6 | 177.2 | -175.5 | 0 | 111.6 | A610 A611 V612 S617 S618 | A610-K614 PolarHBondContact O-N 2.99Å; A611-K614 PolarHBondContact O-N 3.39Å; V612-K614 VanDerWaalsContact C-N 3.34Å; V612-K614 PolarHBondContact O-N 3.36Å; K614-S617 PolarHBondContact O-N 2.89Å; K614-S618 WeakPolarHBondContact O-CB 3.43Å; K614-S618 PolarHBondContact O-N 3.33Å |
| 615 | E | 88.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.7 | -39 | -179 | -67.2 | -58.7 | 110.2 | 0 | 0 | 111.9 | A611 V612 S618 L619 A877 N880 L881 R970 V972 | A611-E615 WeakPolarHBondContact O-CG 3.31Å; A611-E615 PolarHBondContact O-N 3.06Å; V612-E615 PolarHBondContact O-N 3.35Å; E615-S618 PolarHBondContact O-N 3.31Å; E615-L619 WeakPolarHBondContact O-CB 3.35Å; E615-L619 PolarHBondContact O-N 3.45Å; E615-A877 WeakPolarHBondContact OE2-CA 3.23Å; E615-N880 HydrophobicContact CG-CB 4.28Å; E615-N880 PolarHBondContact OE2-ND2 3.05Å; E615-L881 HydrophobicContact CB-CD1 4.3Å; E615-L881 HydrophobicContact CB-CD2 3.83Å; E615-L881 HydrophobicContact CB-CG 3.88Å; E615-R970 IonicContact OE1-NH2 2.62Å; E615-V972 HydrophobicContact CG-CG2 3.99Å; E615-V972 VanDerWaalsContact OE1-CG2 3.3Å; E615-V972 WeakPolarHBondContact OE1-CG2 3.46Å |
| 616 | S | 89.6 | Confident | 87 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 173.4 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | L588 V612 L619 I620 | L588-S616 PolarHBondContact O-OG 2.81Å; V612-S616 VanDerWaalsContact O-CB 3.3Å; V612-S616 WeakPolarHBondContact O-CB 3.34Å; V612-S616 PolarHBondContact O-N 2.96Å; V612-S616 PolarHBondContact O-OG 3.17Å; V612-S616 VanDerWaalsContact O-OG 3.07Å; S616-L619 PolarHBondContact O-N 2.86Å; S616-I620 WeakPolarHBondContact O-CG1 3.47Å; S616-I620 PolarHBondContact O-N 3.17Å |
| 617 | S | 90.4 | Very high | 88.8 | Confident | 83 Ų | 83 | 46.9 Ų | 46.9 | 58% | 0.58 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | R613 K614 L619 I620 G621 | R613-S617 VanDerWaalsContact O-CB 3.27Å; R613-S617 WeakPolarHBondContact O-CB 3.19Å; R613-S617 PolarHBondContact O-N 2.93Å; K614-S617 PolarHBondContact O-N 2.89Å; S617-L619 VanDerWaalsContact C-N 3.31Å; S617-L619 PolarHBondContact O-N 3.16Å; S617-I620 PolarHBondContact O-N 2.88Å; S617-G621 PolarHBondContact O-N 3.06Å |
| 618 | S | 90.3 | Very high | 90.1 | Very high | 25 Ų | 25 | 51 Ų | 51 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | K614 E615 C622 R970 | K614-S618 WeakPolarHBondContact O-CB 3.43Å; K614-S618 PolarHBondContact O-N 3.33Å; E615-S618 PolarHBondContact O-N 3.31Å; S618-C622 WeakPolarHBondContact O-CB 3.47Å; S618-C622 PolarHBondContact O-N 3.31Å; S618-C622 PolarHBondContact O-SG 3.27Å; S618-R970 PolarHBondContact OG-NH1 3.41Å; S618-R970 PolarHBondContact OG-NH2 3.22Å; S618-R970 VanDerWaalsContact OG-NH2 3.07Å |
| 619 | L | 93.4 | Very high | 91 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -49.8 | 178.4 | 180 | 68.9 | 0 | 0 | 0 | 111.3 | V578 P579 L582 L588 E615 S616 S617 C622 L623 I874 A877 L881 | V578-L619 HydrophobicContact CG1-CD1 4.49Å; P579-L619 HydrophobicContact CB-CD2 3.93Å; L582-L619 HydrophobicContact CD1-CD2 3.66Å; L588-L619 HydrophobicContact CD1-CD2 3.79Å; E615-L619 WeakPolarHBondContact O-CB 3.35Å; E615-L619 PolarHBondContact O-N 3.45Å; S616-L619 PolarHBondContact O-N 2.86Å; S617-L619 VanDerWaalsContact C-N 3.31Å; S617-L619 PolarHBondContact O-N 3.16Å; L619-C622 PolarHBondContact O-N 3.25Å; L619-L623 WeakPolarHBondContact O-CB 3.27Å; L619-L623 PolarHBondContact O-N 2.79Å; L619-I874 HydrophobicContact CD1-CB 4.15Å; L619-I874 HydrophobicContact CD1-CG1 4.15Å; L619-I874 HydrophobicContact CD1-CG2 3.8Å; L619-A877 HydrophobicContact CB-CB 4.19Å; L619-A877 HydrophobicContact CD1-CB 4.38Å; L619-L881 HydrophobicContact CD2-CD1 4.27Å |
| 620 | I | 93.1 | Very high | 91.8 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 179.9 | -65.4 | 167.5 | 0 | 0 | 0 | 110.8 | S616 S617 C622 L623 G624 | S616-I620 WeakPolarHBondContact O-CG1 3.47Å; S616-I620 PolarHBondContact O-N 3.17Å; S617-I620 PolarHBondContact O-N 2.88Å; I620-C622 PolarHBondContact O-N 3.44Å; I620-L623 WeakPolarHBondContact O-CB 3.29Å; I620-L623 PolarHBondContact O-N 2.9Å; I620-G624 PolarHBondContact O-N 3.05Å |
| 621 | G | 95.6 | Very high | 92.3 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S617 L623 G624 V625 | S617-G621 PolarHBondContact O-N 3.06Å; G621-L623 VanDerWaalsContact C-N 3.34Å; G621-L623 PolarHBondContact O-N 3.15Å; G621-G624 PolarHBondContact O-N 2.99Å; G621-V625 PolarHBondContact O-N 2.91Å |
| 622 | C | 96.7 | Very high | 93.1 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.1 | -33.4 | 177.7 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | S618 L619 I620 G624 V625 L626 A870 H873 I874 | S618-C622 WeakPolarHBondContact O-CB 3.47Å; S618-C622 PolarHBondContact O-N 3.31Å; S618-C622 PolarHBondContact O-SG 3.27Å; L619-C622 PolarHBondContact O-N 3.25Å; I620-C622 PolarHBondContact O-N 3.44Å; C622-G624 VanDerWaalsContact C-N 3.34Å; C622-V625 PolarHBondContact O-N 3.49Å; C622-L626 WeakPolarHBondContact O-CB 3.23Å; C622-L626 PolarHBondContact O-N 3.37Å; C622-A870 HydrophobicContact CB-CB 4.46Å; C622-H873 HydrophobicContact CB-CB 4.33Å; C622-H873 WeakPolarHBondContact SG-CB 3.28Å; C622-I874 HydrophobicContact CB-CD1 4.31Å; C622-I874 HydrophobicContact CB-CG1 3.75Å |
| 623 | L | 96.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 172.2 | -174.7 | 69.6 | 0 | 0 | 0 | 111.4 | A575 L576 P579 L619 I620 G621 L626 V627 | A575-L623 HydrophobicContact CB-CD1 3.88Å; L576-L623 HydrophobicContact CD2-CD2 3.88Å; P579-L623 HydrophobicContact CG-CD2 4.15Å; L619-L623 WeakPolarHBondContact O-CB 3.27Å; L619-L623 PolarHBondContact O-N 2.79Å; I620-L623 WeakPolarHBondContact O-CB 3.29Å; I620-L623 PolarHBondContact O-N 2.9Å; G621-L623 VanDerWaalsContact C-N 3.34Å; G621-L623 PolarHBondContact O-N 3.15Å; L623-L626 HydrophobicContact CD1-CD2 4.31Å; L623-L626 WeakPolarHBondContact O-CB 3.37Å; L623-L626 PolarHBondContact O-N 3.32Å; L623-V627 VanDerWaalsContact O-CG2 3.3Å; L623-V627 WeakPolarHBondContact O-CG2 3.33Å; L623-V627 PolarHBondContact O-N 3.33Å |
| 624 | G | 96.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 43% | 0.433 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | I620 G621 C622 V627 L628 | I620-G624 PolarHBondContact O-N 3.05Å; G621-G624 PolarHBondContact O-N 2.99Å; C622-G624 VanDerWaalsContact C-N 3.34Å; G624-V627 PolarHBondContact O-N 3.47Å; G624-L628 WeakPolarHBondContact O-CB 3.49Å; G624-L628 PolarHBondContact O-N 3.47Å |
| 625 | V | 96.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 174 | 174 | 0 | 0 | 0 | 0 | 111.3 | G621 C622 L628 C629 A870 | G621-V625 PolarHBondContact O-N 2.91Å; C622-V625 PolarHBondContact O-N 3.49Å; V625-L628 PolarHBondContact O-N 3.31Å; V625-C629 WeakPolarHBondContact O-CB 3.12Å; V625-C629 PolarHBondContact O-N 2.86Å; V625-C629 PolarHBondContact O-SG 3.06Å; V625-A870 HydrophobicContact CB-CB 4.41Å; V625-A870 HydrophobicContact CG1-CB 4.18Å |
| 626 | L | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 176.7 | 174.1 | 66.6 | 0 | 0 | 0 | 111.6 | L571 L572 A575 C622 L623 L628 C629 A630 E867 A870 L871 I874 | L571-L626 HydrophobicContact CD2-CD1 4.41Å; L572-L626 HydrophobicContact CD2-CG 4.34Å; A575-L626 HydrophobicContact CB-CD2 3.35Å; C622-L626 WeakPolarHBondContact O-CB 3.23Å; C622-L626 PolarHBondContact O-N 3.37Å; L623-L626 HydrophobicContact CD1-CD2 4.31Å; L623-L626 WeakPolarHBondContact O-CB 3.37Å; L623-L626 PolarHBondContact O-N 3.32Å; L626-L628 VanDerWaalsContact C-N 3.35Å; L626-L628 PolarHBondContact O-N 2.98Å; L626-C629 PolarHBondContact O-N 2.93Å; L626-A630 WeakPolarHBondContact O-CB 3.17Å; L626-A630 PolarHBondContact O-N 2.87Å; L626-E867 HydrophobicContact CD1-CG 3.47Å; L626-E867 VanDerWaalsContact CD1-CG 3.47Å; L626-A870 HydrophobicContact CB-CB 4.3Å; L626-L871 HydrophobicContact CD1-CD2 4.08Å; L626-L871 HydrophobicContact CD1-CG 4.32Å; L626-L871 HydrophobicContact CD2-CD2 3.93Å; L626-I874 HydrophobicContact CB-CD1 4.48Å; L626-I874 HydrophobicContact CD2-CD1 4.02Å |
| 627 | V | 96.4 | Very high | 93.9 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 178 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L572 L623 G624 A630 C631 | L572-V627 HydrophobicContact CD2-CG2 3.96Å; L623-V627 VanDerWaalsContact O-CG2 3.3Å; L623-V627 WeakPolarHBondContact O-CG2 3.33Å; L623-V627 PolarHBondContact O-N 3.33Å; G624-V627 PolarHBondContact O-N 3.47Å; V627-A630 PolarHBondContact O-N 3.49Å; V627-C631 WeakPolarHBondContact O-CB 3.29Å; V627-C631 PolarHBondContact O-N 3.41Å; V627-C631 PolarHBondContact O-SG 3.07Å |
| 628 | L | 96.5 | Very high | 93.4 | Very high | 114 Ų | 114 | 37.8 Ų | 37.8 | 60% | 0.597 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.8 | -48.6 | 177.2 | -179.5 | 64.3 | 0 | 0 | 0 | 111.1 | G624 V625 L626 A630 C631 V632 | G624-L628 WeakPolarHBondContact O-CB 3.49Å; G624-L628 PolarHBondContact O-N 3.47Å; V625-L628 PolarHBondContact O-N 3.31Å; L626-L628 VanDerWaalsContact C-N 3.35Å; L626-L628 PolarHBondContact O-N 2.98Å; L628-A630 PolarHBondContact O-N 2.92Å; L628-C631 PolarHBondContact O-N 2.98Å; L628-V632 HydrophobicContact CD1-CG2 4Å; L628-V632 HydrophobicContact CG-CG2 4.44Å; L628-V632 WeakPolarHBondContact O-CG2 3.02Å; L628-V632 PolarHBondContact O-N 3.5Å |
| 629 | C | 96.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.1 | -50 | 178.7 | -66.9 | 0 | 0 | 0 | 0 | 111 | V625 L626 C631 V632 S633 E867 | V625-C629 WeakPolarHBondContact O-CB 3.12Å; V625-C629 PolarHBondContact O-N 2.86Å; V625-C629 PolarHBondContact O-SG 3.06Å; L626-C629 PolarHBondContact O-N 2.93Å; C629-C631 PolarHBondContact O-N 3.49Å; C629-V632 PolarHBondContact O-N 3.28Å; C629-S633 WeakPolarHBondContact O-CB 3.47Å; C629-S633 PolarHBondContact O-N 2.86Å; C629-E867 HydrophobicContact CB-CB 4.21Å |
| 630 | A | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | T568 L572 L626 V627 L628 S633 L634 | T568-A630 HydrophobicContact CG2-CB 4.11Å; L572-A630 HydrophobicContact CD1-CB 4.27Å; L572-A630 HydrophobicContact CD2-CB 3.87Å; L572-A630 HydrophobicContact CG-CB 4.27Å; L626-A630 WeakPolarHBondContact O-CB 3.17Å; L626-A630 PolarHBondContact O-N 2.87Å; V627-A630 PolarHBondContact O-N 3.49Å; L628-A630 PolarHBondContact O-N 2.92Å; A630-S633 PolarHBondContact O-N 3.49Å; A630-S633 PolarHBondContact O-OG 2.93Å; A630-L634 PolarHBondContact O-N 3.42Å |
| 631 | C | 93.6 | Very high | 90 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -46.9 | 178.4 | -72.8 | 0 | 0 | 0 | 0 | 112.7 | V627 L628 C629 S633 L634 | V627-C631 WeakPolarHBondContact O-CB 3.29Å; V627-C631 PolarHBondContact O-N 3.41Å; V627-C631 PolarHBondContact O-SG 3.07Å; L628-C631 PolarHBondContact O-N 2.98Å; C629-C631 PolarHBondContact O-N 3.49Å; C631-S633 VanDerWaalsContact C-N 3.29Å; C631-S633 PolarHBondContact O-N 3.44Å; C631-L634 WeakPolarHBondContact O-CB 3.28Å; C631-L634 PolarHBondContact O-N 2.99Å |
| 632 | V | 94.6 | Very high | 88.7 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 32% | 0.315 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.5 | -33.2 | 178 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | L628 C629 L634 S635 F636 L863 | L628-V632 HydrophobicContact CD1-CG2 4Å; L628-V632 HydrophobicContact CG-CG2 4.44Å; L628-V632 WeakPolarHBondContact O-CG2 3.02Å; L628-V632 PolarHBondContact O-N 3.5Å; C629-V632 PolarHBondContact O-N 3.28Å; V632-L634 PolarHBondContact O-N 3.27Å; V632-L634 VanDerWaalsContact O-N 3.14Å; V632-S635 WeakPolarHBondContact O-CB 3.36Å; V632-S635 PolarHBondContact O-N 3.03Å; V632-S635 VanDerWaalsContact O-N 3.08Å; V632-F636 HydrophobicContact CG1-CE2 4.33Å; V632-L863 HydrophobicContact CB-CD1 3.99Å; V632-L863 HydrophobicContact CG1-CD1 3.69Å |
| 633 | S | 94 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -25.2 | 176.8 | 84 | 0 | 0 | 0 | 0 | 113 | C629 A630 C631 S635 F636 Q908 S912 | C629-S633 WeakPolarHBondContact O-CB 3.47Å; C629-S633 PolarHBondContact O-N 2.86Å; A630-S633 PolarHBondContact O-N 3.49Å; A630-S633 PolarHBondContact O-OG 2.93Å; C631-S633 VanDerWaalsContact C-N 3.29Å; C631-S633 PolarHBondContact O-N 3.44Å; S633-S635 PolarHBondContact O-N 3.47Å; S633-F636 PolarHBondContact O-N 2.94Å; S633-Q908 PolarHBondContact OG-NE2 2.91Å; S633-S912 VanDerWaalsContact CB-OG 3.29Å; S633-S912 WeakPolarHBondContact CB-OG 3.36Å; S633-S912 PolarHBondContact O-OG 3.28Å; S633-S912 PolarHBondContact OG-OG 2.93Å |
| 634 | L | 90.8 | Very high | 85.4 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -64.1 | -24.3 | 178.4 | -66 | 170 | 0 | 0 | 0 | 112.4 | T568 A630 C631 V632 F636 H637 | T568-L634 HydrophobicContact CG2-CD2 4.16Å; A630-L634 PolarHBondContact O-N 3.42Å; C631-L634 WeakPolarHBondContact O-CB 3.28Å; C631-L634 PolarHBondContact O-N 2.99Å; V632-L634 PolarHBondContact O-N 3.27Å; V632-L634 VanDerWaalsContact O-N 3.14Å; L634-F636 PolarHBondContact O-N 2.68Å; L634-H637 WeakPolarHBondContact CA-ND1 3.37Å; L634-H637 WeakPolarHBondContact CD2-CE1 3.43Å; L634-H637 PolarHBondContact O-ND1 3.26Å |
| 635 | S | 90.9 | Very high | 83.9 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 49% | 0.49 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -73.1 | -6.7 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 114 | V632 S633 S649 | V632-S635 WeakPolarHBondContact O-CB 3.36Å; V632-S635 PolarHBondContact O-N 3.03Å; V632-S635 VanDerWaalsContact O-N 3.08Å; S633-S635 PolarHBondContact O-N 3.47Å; S635-S649 WeakPolarHBondContact O-CB 3.29Å; S635-S649 PolarHBondContact O-OG 2.89Å |
| 636 | F | 90.8 | Very high | 82.6 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -104.6 | 5.8 | 179.9 | -58.8 | -86.6 | 0 | 0 | 0 | 113.4 | V632 S633 L634 F651 L857 L859 A860 L863 S912 | V632-F636 HydrophobicContact CG1-CE2 4.33Å; S633-F636 PolarHBondContact O-N 2.94Å; L634-F636 PolarHBondContact O-N 2.68Å; F636-F651 HydrophobicContact CD1-CB 3.72Å; F636-F651 HydrophobicContact CD1-CD2 4.25Å; F636-F651 AromaticContact CD1-CG 3.98Å; F636-F651 HydrophobicContact CD1-CG 3.98Å; F636-F651 HydrophobicContact CE1-CB 3.92Å; F636-F651 HydrophobicContact CE1-CD1 4.02Å; F636-F651 HydrophobicContact CE1-CD2 4.06Å; F636-F651 AromaticContact CE1-CG 3.73Å; F636-F651 HydrophobicContact CE1-CG 3.73Å; F636-L857 HydrophobicContact CB-CD2 4.36Å; F636-L857 HydrophobicContact CD1-CD2 3.92Å; F636-L859 HydrophobicContact CE1-CB 4.44Å; F636-L859 HydrophobicContact CZ-CB 4.02Å; F636-L859 HydrophobicContact CZ-CD2 3.93Å; F636-L859 HydrophobicContact CZ-CG 3.91Å; F636-A860 HydrophobicContact CD1-CB 4.11Å; F636-A860 HydrophobicContact CD2-CB 4.24Å; F636-A860 HydrophobicContact CE1-CB 4.29Å; F636-A860 HydrophobicContact CE2-CB 4.42Å; F636-A860 HydrophobicContact CG-CB 4.07Å; F636-A860 HydrophobicContact CZ-CB 4.44Å; F636-L863 HydrophobicContact CE2-CD1 3.83Å; F636-S912 WeakPolarHBondContact CB-O 3.45Å |
| 637 | H | 88 | Confident | 81.3 | Confident | 33 Ų | 33 | 49 Ų | 49 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | trans | -68.4 | 139.5 | -178.5 | -75.9 | 122.5 | 0 | 0 | 0 | 113.3 | L634 S649 H911 | L634-H637 WeakPolarHBondContact CA-ND1 3.37Å; L634-H637 WeakPolarHBondContact CD2-CE1 3.43Å; L634-H637 PolarHBondContact O-ND1 3.26Å; H637-S649 PolarHBondContact O-N 3.41Å; H637-H911 VanDerWaalsContact CD2-C 3.49Å; H637-H911 VanDerWaalsContact CD2-CB 3.44Å; H637-H911 WeakPolarHBondContact CD2-CB 3.26Å; H637-H911 PolarHBondContact CD2-O 3.03Å; H637-H911 VanDerWaalsContact NE2-CB 3.35Å; H637-H911 WeakPolarHBondContact NE2-CB 3.44Å | ||
| 638 | G | 79.8 | Confident | 80 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | trans | -76.8 | 161.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 639 | C | 73.1 | Confident | 79.3 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 22% | 0.223 | 31% | 0.308 | C | S | . | . | trans | -104.3 | 137.4 | 176.3 | -71.5 | 0 | 0 | 0 | 0 | 110.9 | C646 S647 P648 L916 | C639-C646 HydrophobicContact CB-CB 3.64Å; C639-C646 WeakPolarHBondContact CB-SG 3.47Å; C639-C646 WeakPolarHBondContact SG-CB 3.34Å; C639-C646 CovalentContact SG-SG 2.03Å; C639-C646 PolarHBondContact SG-SG 3.29Å; C639-S647 PolarHBondContact SG-N 3.06Å; C639-S647 VanDerWaalsContact SG-N 3.44Å; C639-S647 PolarHBondContact SG-O 3.22Å; C639-P648 VanDerWaalsContact SG-N 3.41Å; C639-L916 VanDerWaalsContact O-CD1 3.3Å; C639-L916 WeakPolarHBondContact O-CD1 3.47Å | ||
| 640 | R | 69 | Low | 78.4 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | trans | -86.5 | 142 | 167.1 | -83.9 | -167.9 | 77.6 | 138.9 | 10.3 | 109.4 | E642 Q643 L916 T918 K1038 | R640-E642 VanDerWaalsContact CB-OE2 3.25Å; R640-E642 WeakPolarHBondContact CB-OE2 3.38Å; R640-E642 IonicContact CZ-OE1 2.78Å; R640-E642 IonicContact CZ-OE2 3.85Å; R640-E642 IonicContact NE-OE1 3.9Å; R640-E642 IonicContact NE-OE2 3.97Å; R640-E642 PolarHBondContact NE-OE2 3.46Å; R640-E642 IonicContact NH2-OE1 3.04Å; R640-E642 PolarHBondContact NH2-OE1 2.97Å; R640-E642 IonicContact NH2-OE2 2.87Å; R640-E642 PolarHBondContact O-N 3.39Å; R640-Q643 HydrophobicContact CB-CG 3.91Å; R640-Q643 VanDerWaalsContact N-OE1 3.07Å; R640-Q643 PolarHBondContact O-N 2.92Å; R640-Q643 VanDerWaalsContact O-N 3.14Å; R640-L916 HydrophobicContact CG-CB 4.49Å; R640-L916 HydrophobicContact CG-CD1 3.78Å; R640-L916 HydrophobicContact CG-CD2 4.04Å; R640-L916 HydrophobicContact CG-CG 4.32Å; R640-T918 VanDerWaalsContact NH2-CG2 3.34Å; R640-K1038 PolarHBondContact NH2-O 3.46Å | ||
| 641 | E | 63.1 | Low | 77.8 | Confident | 126 Ų | 126 | 50.4 Ų | 50.4 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -55.9 | -35.7 | 175.6 | -66.1 | 171 | -177.7 | 0 | 0 | 111.3 | Q643 K1038 | E641-Q643 PolarHBondContact O-N 3.44Å; E641-K1038 IonicContact OE2-NZ 3.78Å; E641-K1038 PolarHBondContact OE2-NZ 3.45Å |
| 642 | E | 68.6 | Low | 76.9 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -70.7 | -12.2 | -176.9 | -52.4 | 93.3 | 149.8 | 0 | 0 | 113.9 | I561 R640 K1038 | I561-E642 HydrophobicContact CD1-CB 3.77Å; I561-E642 HydrophobicContact CD1-CG 4.26Å; I561-E642 HydrophobicContact CG1-CB 4.18Å; I561-E642 HydrophobicContact CG2-CB 4.24Å; R640-E642 VanDerWaalsContact CB-OE2 3.25Å; R640-E642 WeakPolarHBondContact CB-OE2 3.38Å; R640-E642 IonicContact CZ-OE1 2.78Å; R640-E642 IonicContact CZ-OE2 3.85Å; R640-E642 IonicContact NE-OE1 3.9Å; R640-E642 IonicContact NE-OE2 3.97Å; R640-E642 PolarHBondContact NE-OE2 3.46Å; R640-E642 IonicContact NH2-OE1 3.04Å; R640-E642 PolarHBondContact NH2-OE1 2.97Å; R640-E642 IonicContact NH2-OE2 2.87Å; R640-E642 PolarHBondContact O-N 3.39Å; E642-K1038 VanDerWaalsContact OE1-CE 3.22Å; E642-K1038 WeakPolarHBondContact OE1-CE 3.45Å; E642-K1038 WeakPolarHBondContact OE1-CG 3.34Å |
| 643 | Q | 67.7 | Low | 75.6 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -78.4 | -23.4 | -174.2 | -72.9 | 173.3 | -32.3 | 0 | 0 | 113.6 | I561 Y562 R640 E641 C646 | I561-Q643 HydrophobicContact CG2-CG 3.49Å; I561-Q643 VanDerWaalsContact CG2-CG 3.49Å; I561-Q643 PolarHBondContact O-NE2 3.46Å; Y562-Q643 HydrophobicContact CE1-CG 3.95Å; Y562-Q643 HydrophobicContact CE2-CG 4.26Å; Y562-Q643 PolarHBondContact OH-O 3.27Å; R640-Q643 HydrophobicContact CB-CG 3.91Å; R640-Q643 VanDerWaalsContact N-OE1 3.07Å; R640-Q643 PolarHBondContact O-N 2.92Å; R640-Q643 VanDerWaalsContact O-N 3.14Å; E641-Q643 PolarHBondContact O-N 3.44Å; Q643-C646 HydrophobicContact CB-CB 4.08Å; Q643-C646 PolarHBondContact OE1-SG 2.89Å |
| 644 | G | 55.1 | Low | 74.4 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 66% | 0.66 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 61.9 | 117.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C646 | G644-C646 VanDerWaalsContact C-N 3.29Å; G644-C646 PolarHBondContact O-N 3.19Å |
| 645 | G | 64.9 | Low | 73.4 | Confident | 94 Ų | 94 | 47 Ų | 47 | 97% | 0.969 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 70.5 | 20.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 646 | C | 70.8 | Confident | 72 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 35% | 0.345 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 129.1 | 172.2 | -171.5 | 0 | 0 | 0 | 0 | 110 | C639 Q643 G644 | C639-C646 HydrophobicContact CB-CB 3.64Å; C639-C646 WeakPolarHBondContact CB-SG 3.47Å; C639-C646 WeakPolarHBondContact SG-CB 3.34Å; C639-C646 CovalentContact SG-SG 2.03Å; C639-C646 PolarHBondContact SG-SG 3.29Å; Q643-C646 HydrophobicContact CB-CB 4.08Å; Q643-C646 PolarHBondContact OE1-SG 2.89Å; G644-C646 VanDerWaalsContact C-N 3.29Å; G644-C646 PolarHBondContact O-N 3.19Å |
| 647 | S | 70.1 | Confident | 70.7 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 71% | 0.713 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 128.2 | 171 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | C639 | C639-S647 PolarHBondContact SG-N 3.06Å; C639-S647 VanDerWaalsContact SG-N 3.44Å; C639-S647 PolarHBondContact SG-O 3.22Å |
| 648 | P | 68.6 | Low | 69.6 | Low | 90 Ų | 90 | 55.8 Ų | 55.8 | 58% | 0.584 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -64 | 147.7 | -179.3 | 26.8 | -34 | 0 | 0 | 0 | 110.5 | C639 | C639-P648 VanDerWaalsContact SG-N 3.41Š|
| 649 | S | 82.4 | Confident | 69 | Low | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 136.1 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | S635 H637 F651 L652 | S635-S649 WeakPolarHBondContact O-CB 3.29Å; S635-S649 PolarHBondContact O-OG 2.89Å; H637-S649 PolarHBondContact O-N 3.41Å; S649-F651 PolarHBondContact O-N 3.32Å; S649-F651 PolarHBondContact OG-N 3.38Å; S649-L652 WeakPolarHBondContact O-CB 3.46Å; S649-L652 PolarHBondContact O-N 3.5Å; S649-L652 VanDerWaalsContact O-N 3.15Å |
| 650 | P | 76.1 | Confident | 69.3 | Low | 64 Ų | 64 | 67.1 Ų | 67.1 | 42% | 0.416 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -63.1 | -23.8 | 175.4 | 27 | -34.8 | 0 | 0 | 0 | 112.4 | L652 S653 Y667 | P650-L652 PolarHBondContact O-N 2.86Å; P650-S653 PolarHBondContact O-N 2.93Å; P650-Y667 HydrophobicContact CB-CE2 4.49Å |
| 651 | F | 82.1 | Confident | 69.9 | Low | 36 Ų | 36 | 70.6 Ų | 70.6 | 16% | 0.158 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -68.9 | -15.6 | 177.7 | -67.9 | -78.2 | 0 | 0 | 0 | 113.8 | F636 S649 Y667 L670 | F636-F651 HydrophobicContact CD1-CB 3.72Å; F636-F651 HydrophobicContact CD1-CD2 4.25Å; F636-F651 AromaticContact CD1-CG 3.98Å; F636-F651 HydrophobicContact CD1-CG 3.98Å; F636-F651 HydrophobicContact CE1-CB 3.92Å; F636-F651 HydrophobicContact CE1-CD1 4.02Å; F636-F651 HydrophobicContact CE1-CD2 4.06Å; F636-F651 AromaticContact CE1-CG 3.73Å; F636-F651 HydrophobicContact CE1-CG 3.73Å; S649-F651 PolarHBondContact O-N 3.32Å; S649-F651 PolarHBondContact OG-N 3.38Å; F651-Y667 HydrophobicContact CE1-CD1 4.11Å; F651-Y667 AromaticContact CE1-CE1 3.88Å; F651-Y667 HydrophobicContact CE1-CE1 3.88Å; F651-Y667 HydrophobicContact CE1-CE2 4.48Å; F651-Y667 HydrophobicContact CZ-CE1 4.07Å; F651-L670 HydrophobicContact CE1-CD2 4.28Å |
| 652 | L | 75 | Confident | 71 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 17% | 0.168 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -81.9 | -17.2 | 176 | -61.7 | 174 | 0 | 0 | 0 | 112.7 | S649 P650 L857 G914 | S649-L652 WeakPolarHBondContact O-CB 3.46Å; S649-L652 PolarHBondContact O-N 3.5Å; S649-L652 VanDerWaalsContact O-N 3.15Å; P650-L652 PolarHBondContact O-N 2.86Å; L652-L857 HydrophobicContact CD2-CD1 4.34Å; L652-L857 HydrophobicContact CD2-CD2 3.98Å; L652-G914 VanDerWaalsContact CD2-CA 3.46Å |
| 653 | S | 67.5 | Low | 71.7 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -84 | 134.3 | 178 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | P650 | P650-S653 PolarHBondContact O-N 2.93Š|
| 654 | P | 67.9 | Low | 72.3 | Confident | 31 Ų | 31 | 73 Ų | 73 | 20% | 0.201 | 44% | 0.437 | C | S | . | . | trans | -63.8 | 146.5 | 173.6 | 27.8 | -34.3 | 0 | 0 | 0 | 110.7 | S656 R657 | P654-S656 PolarHBondContact O-N 3.21Å; P654-S656 VanDerWaalsContact O-N 3.1Å; P654-R657 HydrophobicContact CG-CG 4.24Å; P654-R657 PolarHBondContact O-N 2.88Å | ||
| 655 | L | 69.4 | Low | 73.9 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -58 | -25.2 | -179.3 | -70.2 | 177.7 | 0 | 0 | 0 | 113 | R657 L658 K664 Y667 Y668 A721 E855 | L655-R657 PolarHBondContact O-N 3.5Å; L655-L658 HydrophobicContact CD2-CD1 3.86Å; L655-L658 PolarHBondContact O-N 3.32Å; L655-K664 HydrophobicContact CB-CG 4.24Å; L655-K664 HydrophobicContact CD2-CG 4.24Å; L655-K664 WeakPolarHBondContact O-CE 3.4Å; L655-Y667 HydrophobicContact CD2-CD2 4.34Å; L655-Y667 HydrophobicContact CD2-CG 4.48Å; L655-Y668 HydrophobicContact CD1-CD2 3.96Å; L655-Y668 HydrophobicContact CD1-CG 4.34Å; L655-A721 HydrophobicContact CB-CB 4.04Å; L655-A721 HydrophobicContact CD1-CB 4.23Å; L655-E855 WeakPolarHBondContact CA-OE1 3.5Å; L655-E855 HydrophobicContact CB-CG 4.46Å; L655-E855 WeakPolarHBondContact CB-OE1 3.27Å; L655-E855 HydrophobicContact CD1-CG 3.49Å; L655-E855 VanDerWaalsContact CD1-CG 3.49Å; L655-E855 HydrophobicContact CG-CG 3.55Å; L655-E855 WeakPolarHBondContact CG-OE1 3.44Å; L655-E855 PolarHBondContact N-OE1 2.85Å |
| 656 | S | 62.9 | Low | 75.2 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -62.3 | -25.9 | 175.1 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | P654 | P654-S656 PolarHBondContact O-N 3.21Å; P654-S656 VanDerWaalsContact O-N 3.1Å |
| 657 | R | 62.8 | Low | 76 | Confident | 183 Ų | 183 | 73.9 Ų | 73.9 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -85.9 | -12.8 | 177.7 | -74.9 | -166.8 | -99.5 | -176.1 | -3.3 | 114.2 | P654 L655 | P654-R657 HydrophobicContact CG-CG 4.24Å; P654-R657 PolarHBondContact O-N 2.88Å; L655-R657 PolarHBondContact O-N 3.5Å |
| 658 | L | 64.6 | Low | 77 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 18% | 0.183 | 38% | 0.376 | C | S | . | . | trans | -80.2 | 121.9 | 179.1 | -64.3 | 178.2 | 0 | 0 | 0 | 110.8 | L655 K664 Y667 | L655-L658 HydrophobicContact CD2-CD1 3.86Å; L655-L658 PolarHBondContact O-N 3.32Å; L658-K664 HydrophobicContact CB-CB 4.33Å; L658-Y667 HydrophobicContact CD1-CD2 3.64Å; L658-Y667 HydrophobicContact CD1-CE2 4.03Å | ||
| 659 | Q | 67.8 | Low | 78.2 | Confident | 195 Ų | 195 | 73.2 Ų | 73.2 | 91% | 0.911 | 38% | 0.376 | S | S | * | . | trans | -81.5 | -30.8 | 177.7 | -65.5 | -175.2 | -10.5 | 0 | 0 | 112.7 | S661 | Q659-S661 PolarHBondContact O-N 3.49Š| ||
| 660 | D | 79.1 | Confident | 78.7 | Confident | 86 Ų | 86 | 75.7 Ų | 75.7 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | trans | -74.9 | 115 | 177 | -177.7 | -10.5 | 0 | 0 | 0 | 111.1 | Q662 L663 K664 | D660-Q662 PolarHBondContact OD1-N 3.24Å; D660-L663 HydrophobicContact CB-CB 3.97Å; D660-L663 PolarHBondContact OD1-N 3.25Å; D660-K664 WeakPolarHBondContact O-CB 3.37Å; D660-K664 PolarHBondContact O-N 3.26Å | ||
| 661 | S | 81.1 | Confident | 79.6 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 57% | 0.573 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.5 | -31.9 | -178.9 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | Q659 N665 | Q659-S661 PolarHBondContact O-N 3.49Å; S661-N665 WeakPolarHBondContact O-CB 3.37Å; S661-N665 PolarHBondContact O-N 3.04Å; S661-N665 VanDerWaalsContact O-N 3.07Å; S661-N665 PolarHBondContact O-ND2 3.34Å |
| 662 | Q | 87.3 | Confident | 80.2 | Confident | 161 Ų | 161 | 73.6 Ų | 73.6 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.3 | -46.9 | 177.8 | -69 | -169.4 | -13.8 | 0 | 0 | 110.7 | D660 K664 N665 L666 | D660-Q662 PolarHBondContact OD1-N 3.24Å; Q662-K664 VanDerWaalsContact C-N 3.34Å; Q662-K664 PolarHBondContact O-N 2.99Å; Q662-N665 PolarHBondContact O-N 3.45Å; Q662-L666 WeakPolarHBondContact O-CB 3.23Å; Q662-L666 PolarHBondContact O-N 2.87Å |
| 663 | L | 83 | Confident | 81.2 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 177.7 | -169.9 | 66.4 | 0 | 0 | 0 | 111.6 | D660 L666 Y667 | D660-L663 HydrophobicContact CB-CB 3.97Å; D660-L663 PolarHBondContact OD1-N 3.25Å; L663-L666 PolarHBondContact O-N 3.32Å; L663-Y667 HydrophobicContact CD1-CD1 4.3Å; L663-Y667 HydrophobicContact CD1-CE1 3.68Å; L663-Y667 HydrophobicContact CD1-CE2 4.47Å; L663-Y667 HydrophobicContact CD2-CE2 4.47Å; L663-Y667 HydrophobicContact CG-CE1 4.23Å; L663-Y667 HydrophobicContact CG-CE2 4.22Å; L663-Y667 PolarHBondContact O-N 3.05Å |
| 664 | K | 80.3 | Confident | 82.6 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 15% | 0.148 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 175 | -177.3 | 176.3 | -178 | 167.4 | 0 | 112.4 | L655 L658 D660 Q662 Y667 Y668 A721 | L655-K664 HydrophobicContact CB-CG 4.24Å; L655-K664 HydrophobicContact CD2-CG 4.24Å; L655-K664 WeakPolarHBondContact O-CE 3.4Å; L658-K664 HydrophobicContact CB-CB 4.33Å; D660-K664 WeakPolarHBondContact O-CB 3.37Å; D660-K664 PolarHBondContact O-N 3.26Å; Q662-K664 VanDerWaalsContact C-N 3.34Å; Q662-K664 PolarHBondContact O-N 2.99Å; K664-Y667 PolarHBondContact O-N 3.15Å; K664-Y668 WeakPolarHBondContact O-CB 3.39Å; K664-Y668 PolarHBondContact O-N 3.49Å; K664-A721 WeakPolarHBondContact CE-O 3.42Å; K664-A721 PolarHBondContact NZ-O 2.86Å |
| 665 | N | 89.1 | Confident | 84 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 177 | -73.4 | -20.2 | 0 | 0 | 0 | 111.8 | S661 Q662 Y668 I669 | S661-N665 WeakPolarHBondContact O-CB 3.37Å; S661-N665 PolarHBondContact O-N 3.04Å; S661-N665 VanDerWaalsContact O-N 3.07Å; S661-N665 PolarHBondContact O-ND2 3.34Å; Q662-N665 PolarHBondContact O-N 3.45Å; N665-Y668 PolarHBondContact O-N 3.48Å; N665-I669 WeakPolarHBondContact O-CB 3.36Å; N665-I669 VanDerWaalsContact O-CG1 3.24Å; N665-I669 WeakPolarHBondContact O-CG1 3.32Å; N665-I669 PolarHBondContact O-N 2.58Å |
| 666 | L | 90.7 | Very high | 85.2 | Confident | 102 Ų | 102 | 72.1 Ų | 72.1 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60 | -49.7 | 176.6 | 177.5 | 63.1 | 0 | 0 | 0 | 111.4 | Q662 L663 Y668 I669 L670 | Q662-L666 WeakPolarHBondContact O-CB 3.23Å; Q662-L666 PolarHBondContact O-N 2.87Å; L663-L666 PolarHBondContact O-N 3.32Å; L666-Y668 VanDerWaalsContact C-N 3.35Å; L666-Y668 PolarHBondContact O-N 3.33Å; L666-I669 PolarHBondContact O-N 3Å; L666-L670 VanDerWaalsContact O-CB 3.3Å; L666-L670 WeakPolarHBondContact O-CB 3.47Å; L666-L670 PolarHBondContact O-N 2.97Å |
| 667 | Y | 88.1 | Confident | 86.9 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 11% | 0.114 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 179.6 | -74.8 | 3.9 | 0 | 0 | 0 | 111.8 | P650 F651 L655 L658 L663 K664 L670 S671 | P650-Y667 HydrophobicContact CB-CE2 4.49Å; F651-Y667 HydrophobicContact CE1-CD1 4.11Å; F651-Y667 AromaticContact CE1-CE1 3.88Å; F651-Y667 HydrophobicContact CE1-CE1 3.88Å; F651-Y667 HydrophobicContact CE1-CE2 4.48Å; F651-Y667 HydrophobicContact CZ-CE1 4.07Å; L655-Y667 HydrophobicContact CD2-CD2 4.34Å; L655-Y667 HydrophobicContact CD2-CG 4.48Å; L658-Y667 HydrophobicContact CD1-CD2 3.64Å; L658-Y667 HydrophobicContact CD1-CE2 4.03Å; L663-Y667 HydrophobicContact CD1-CD1 4.3Å; L663-Y667 HydrophobicContact CD1-CE1 3.68Å; L663-Y667 HydrophobicContact CD1-CE2 4.47Å; L663-Y667 HydrophobicContact CD2-CE2 4.47Å; L663-Y667 HydrophobicContact CG-CE1 4.23Å; L663-Y667 HydrophobicContact CG-CE2 4.22Å; L663-Y667 PolarHBondContact O-N 3.05Å; K664-Y667 PolarHBondContact O-N 3.15Å; Y667-L670 PolarHBondContact O-N 2.86Å; Y667-S671 WeakPolarHBondContact O-CB 3.21Å; Y667-S671 PolarHBondContact O-N 3.31Å; Y667-S671 PolarHBondContact O-OG 3.31Å |
| 668 | Y | 90.6 | Very high | 88.4 | Confident | 61 Ų | 61 | 64 Ų | 64 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 174 | -179.8 | -103.2 | 0 | 0 | 0 | 112.2 | L655 K664 N665 L666 L670 S671 V672 G714 W717 A718 | L655-Y668 HydrophobicContact CD1-CD2 3.96Å; L655-Y668 HydrophobicContact CD1-CG 4.34Å; K664-Y668 WeakPolarHBondContact O-CB 3.39Å; K664-Y668 PolarHBondContact O-N 3.49Å; N665-Y668 PolarHBondContact O-N 3.48Å; L666-Y668 VanDerWaalsContact C-N 3.35Å; L666-Y668 PolarHBondContact O-N 3.33Å; Y668-L670 VanDerWaalsContact C-N 3.33Å; Y668-L670 PolarHBondContact O-N 2.86Å; Y668-S671 PolarHBondContact O-N 3.18Å; Y668-S671 VanDerWaalsContact O-N 3.14Å; Y668-V672 HydrophobicContact CD1-CG2 4.47Å; Y668-V672 HydrophobicContact CD2-CG2 4.33Å; Y668-V672 HydrophobicContact CE1-CG2 3.95Å; Y668-V672 HydrophobicContact CE2-CG2 3.78Å; Y668-V672 PolarHBondContact O-N 2.85Å; Y668-G714 PolarHBondContact OH-O 3.49Å; Y668-W717 HydrophobicContact CE2-CB 4.09Å; Y668-A718 HydrophobicContact CE2-CB 4.05Å; Y668-A718 WeakPolarHBondContact OH-CB 3.3Å |
| 669 | I | 93.9 | Very high | 89.8 | Confident | 117 Ų | 117 | 63.1 Ų | 63.1 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 178.3 | -70.2 | 166.1 | 0 | 0 | 0 | 110.6 | N665 L666 S671 G673 | N665-I669 WeakPolarHBondContact O-CB 3.36Å; N665-I669 VanDerWaalsContact O-CG1 3.24Å; N665-I669 WeakPolarHBondContact O-CG1 3.32Å; N665-I669 PolarHBondContact O-N 2.58Å; L666-I669 PolarHBondContact O-N 3Å; I669-S671 VanDerWaalsContact C-N 3.28Å; I669-S671 PolarHBondContact O-N 2.87Å; I669-G673 WeakPolarHBondContact O-CA 3.14Å; I669-G673 PolarHBondContact O-N 2.89Å |
| 670 | L | 93.5 | Very high | 91.1 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 176.6 | -176.2 | 63.4 | 0 | 0 | 0 | 111.4 | F651 L666 Y667 Y668 S674 L859 | F651-L670 HydrophobicContact CE1-CD2 4.28Å; L666-L670 VanDerWaalsContact O-CB 3.3Å; L666-L670 WeakPolarHBondContact O-CB 3.47Å; L666-L670 PolarHBondContact O-N 2.97Å; Y667-L670 PolarHBondContact O-N 2.86Å; Y668-L670 VanDerWaalsContact C-N 3.33Å; Y668-L670 PolarHBondContact O-N 2.86Å; L670-S674 VanDerWaalsContact O-CB 3.29Å; L670-S674 WeakPolarHBondContact O-CB 3.38Å; L670-S674 PolarHBondContact O-N 3.33Å; L670-S674 PolarHBondContact O-OG 2.68Å; L670-L859 HydrophobicContact CD1-CD2 4.36Å; L670-L859 HydrophobicContact CD2-CD2 3.91Å; L670-L859 HydrophobicContact CG-CD2 4.28Å |
| 671 | S | 94.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.3 | -49.8 | -179.3 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | Y667 Y668 I669 G673 S674 L675 E855 A858 | Y667-S671 WeakPolarHBondContact O-CB 3.21Å; Y667-S671 PolarHBondContact O-N 3.31Å; Y667-S671 PolarHBondContact O-OG 3.31Å; Y668-S671 PolarHBondContact O-N 3.18Å; Y668-S671 VanDerWaalsContact O-N 3.14Å; I669-S671 VanDerWaalsContact C-N 3.28Å; I669-S671 PolarHBondContact O-N 2.87Å; S671-G673 VanDerWaalsContact C-N 3.34Å; S671-G673 PolarHBondContact O-N 2.88Å; S671-S674 PolarHBondContact O-N 2.86Å; S671-L675 PolarHBondContact O-N 3.44Å; S671-E855 VanDerWaalsContact CB-O 3.31Å; S671-E855 WeakPolarHBondContact CB-O 3.33Å; S671-E855 PolarHBondContact OG-O 3.41Å; S671-A858 WeakPolarHBondContact O-CB 3.27Å |
| 672 | V | 95.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | Y668 L675 G676 | Y668-V672 HydrophobicContact CD1-CG2 4.47Å; Y668-V672 HydrophobicContact CD2-CG2 4.33Å; Y668-V672 HydrophobicContact CE1-CG2 3.95Å; Y668-V672 HydrophobicContact CE2-CG2 3.78Å; Y668-V672 PolarHBondContact O-N 2.85Å; V672-L675 PolarHBondContact O-N 3.39Å; V672-G676 PolarHBondContact O-N 2.86Å |
| 673 | G | 96.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I669 S671 G676 V677 | I669-G673 WeakPolarHBondContact O-CA 3.14Å; I669-G673 PolarHBondContact O-N 2.89Å; S671-G673 VanDerWaalsContact C-N 3.34Å; S671-G673 PolarHBondContact O-N 2.88Å; G673-G676 PolarHBondContact O-N 3.38Å; G673-V677 WeakPolarHBondContact O-CB 3.46Å; G673-V677 VanDerWaalsContact O-CG2 3.27Å; G673-V677 WeakPolarHBondContact O-CG2 3.32Å; G673-V677 PolarHBondContact O-N 2.75Å |
| 674 | S | 96.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 177 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | L670 S671 G676 V677 S678 | L670-S674 VanDerWaalsContact O-CB 3.29Å; L670-S674 WeakPolarHBondContact O-CB 3.38Å; L670-S674 PolarHBondContact O-N 3.33Å; L670-S674 PolarHBondContact O-OG 2.68Å; S671-S674 PolarHBondContact O-N 2.86Å; S674-G676 PolarHBondContact O-N 2.99Å; S674-V677 PolarHBondContact O-N 3.45Å; S674-S678 PolarHBondContact O-N 3.43Å; S674-S678 PolarHBondContact O-OG 3.22Å; S674-S678 VanDerWaalsContact O-OG 3.07Å |
| 675 | L | 96.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 176 | -179.9 | 66.9 | 0 | 0 | 0 | 112.2 | S671 V672 S678 A679 C710 A713 W717 V847 L850 | S671-L675 PolarHBondContact O-N 3.44Å; V672-L675 PolarHBondContact O-N 3.39Å; L675-S678 PolarHBondContact O-N 3.29Å; L675-A679 PolarHBondContact O-N 2.6Å; L675-A679 VanDerWaalsContact O-N 3.15Å; L675-C710 HydrophobicContact CD1-CB 4.3Å; L675-C710 HydrophobicContact CD2-CB 3.92Å; L675-C710 VanDerWaalsContact CD2-O 3.28Å; L675-C710 WeakPolarHBondContact CD2-O 3.3Å; L675-C710 HydrophobicContact CG-CB 3.91Å; L675-A713 HydrophobicContact CD2-CB 4.16Å; L675-W717 HydrophobicContact CB-CZ3 4.4Å; L675-W717 HydrophobicContact CD2-CH2 4.24Å; L675-W717 HydrophobicContact CD2-CZ3 3.96Å; L675-V847 HydrophobicContact CD1-CG1 4.06Å; L675-V847 HydrophobicContact CD1-CG2 4.06Å; L675-L850 HydrophobicContact CD1-CD2 4.07Å |
| 676 | G | 96.2 | Very high | 93.8 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 40% | 0.402 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | V672 G673 S674 A679 Y680 | V672-G676 PolarHBondContact O-N 2.86Å; G673-G676 PolarHBondContact O-N 3.38Å; S674-G676 PolarHBondContact O-N 2.99Å; G676-A679 PolarHBondContact O-N 3.1Å; G676-Y680 VanDerWaalsContact O-CB 3.23Å; G676-Y680 WeakPolarHBondContact O-CB 3.36Å; G676-Y680 PolarHBondContact O-N 3.06Å |
| 677 | V | 96.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 49 Ų | 49 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -45 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 111 | G673 S674 A679 Y680 L681 L862 | G673-V677 WeakPolarHBondContact O-CB 3.46Å; G673-V677 VanDerWaalsContact O-CG2 3.27Å; G673-V677 WeakPolarHBondContact O-CG2 3.32Å; G673-V677 PolarHBondContact O-N 2.75Å; S674-V677 PolarHBondContact O-N 3.45Å; V677-A679 PolarHBondContact O-N 3.28Å; V677-Y680 PolarHBondContact O-N 2.86Å; V677-L681 HydrophobicContact CG1-CD1 3.74Å; V677-L681 HydrophobicContact CG1-CG 4.07Å; V677-L681 WeakPolarHBondContact O-CB 3.22Å; V677-L681 VanDerWaalsContact O-CG 3.29Å; V677-L681 WeakPolarHBondContact O-CG 3.11Å; V677-L681 PolarHBondContact O-N 3.43Å; V677-L862 HydrophobicContact CB-CD2 4.3Å; V677-L862 HydrophobicContact CG1-CD1 3.88Å; V677-L862 HydrophobicContact CG1-CD2 4.05Å |
| 678 | S | 94.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 177 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | S674 L675 L682 L862 | S674-S678 PolarHBondContact O-N 3.43Å; S674-S678 PolarHBondContact O-OG 3.22Å; S674-S678 VanDerWaalsContact O-OG 3.07Å; L675-S678 PolarHBondContact O-N 3.29Å; S678-L682 PolarHBondContact O-N 2.92Å; S678-L862 WeakPolarHBondContact OG-CD1 3.47Å |
| 679 | A | 94.9 | Very high | 93.3 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L675 G676 V677 R683 L706 | L675-A679 PolarHBondContact O-N 2.6Å; L675-A679 VanDerWaalsContact O-N 3.15Å; G676-A679 PolarHBondContact O-N 3.1Å; V677-A679 PolarHBondContact O-N 3.28Å; A679-R683 WeakPolarHBondContact O-CB 3.42Å; A679-R683 PolarHBondContact O-N 2.91Å; A679-L706 HydrophobicContact CB-CD2 4.43Å; A679-L706 HydrophobicContact CB-CG 4.41Å |
| 680 | Y | 95.5 | Very high | 92.7 | Very high | 135 Ų | 135 | 49.6 Ų | 49.6 | 53% | 0.529 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 178.7 | 176.9 | -112.3 | 0 | 0 | 0 | 112.4 | G676 V677 L682 R683 L684 | G676-Y680 VanDerWaalsContact O-CB 3.23Å; G676-Y680 WeakPolarHBondContact O-CB 3.36Å; G676-Y680 PolarHBondContact O-N 3.06Å; V677-Y680 PolarHBondContact O-N 2.86Å; Y680-L682 PolarHBondContact O-N 3.38Å; Y680-R683 PolarHBondContact O-N 3.12Å; Y680-L684 HydrophobicContact CD1-CD1 3.78Å; Y680-L684 HydrophobicContact CD1-CG 4.27Å; Y680-L684 HydrophobicContact CD2-CG 4.26Å; Y680-L684 HydrophobicContact CE1-CD1 3.2Å; Y680-L684 HydrophobicContact CE1-CG 3.88Å; Y680-L684 HydrophobicContact CE2-CD1 4.09Å; Y680-L684 HydrophobicContact CE2-CD2 3.98Å; Y680-L684 HydrophobicContact CE2-CG 3.84Å; Y680-L684 HydrophobicContact CG-CD1 4.45Å; Y680-L684 HydrophobicContact CG-CG 4.46Å; Y680-L684 WeakPolarHBondContact O-CB 3.47Å; Y680-L684 WeakPolarHBondContact O-CG 3.23Å; Y680-L684 PolarHBondContact O-N 3.29Å |
| 681 | L | 94.6 | Very high | 92.4 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 38% | 0.377 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -43 | 178.7 | -70.7 | 176.4 | 0 | 0 | 0 | 111.8 | V677 L684 W685 L862 L866 | V677-L681 HydrophobicContact CG1-CD1 3.74Å; V677-L681 HydrophobicContact CG1-CG 4.07Å; V677-L681 WeakPolarHBondContact O-CB 3.22Å; V677-L681 VanDerWaalsContact O-CG 3.29Å; V677-L681 WeakPolarHBondContact O-CG 3.11Å; V677-L681 PolarHBondContact O-N 3.43Å; L681-L684 PolarHBondContact O-N 2.9Å; L681-W685 PolarHBondContact O-N 3.23Å; L681-L862 HydrophobicContact CD1-CD1 4.36Å; L681-L866 HydrophobicContact CD1-CD2 4.13Å |
| 682 | L | 93.9 | Very high | 92 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 13% | 0.126 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 175.2 | 178.5 | 57.4 | 0 | 0 | 0 | 111.5 | S678 Y680 W685 L686 L706 L839 L840 | S678-L682 PolarHBondContact O-N 2.92Å; Y680-L682 PolarHBondContact O-N 3.38Å; L682-W685 PolarHBondContact O-N 3.49Å; L682-L686 HydrophobicContact CD1-CD1 4.27Å; L682-L686 HydrophobicContact CD1-CG 4.41Å; L682-L686 HydrophobicContact CG-CD1 4.24Å; L682-L686 WeakPolarHBondContact O-CG 3.28Å; L682-L686 PolarHBondContact O-N 3Å; L682-L706 HydrophobicContact CD2-CD2 3.84Å; L682-L839 HydrophobicContact CD1-CB 4.01Å; L682-L840 HydrophobicContact CD2-CD1 4.2Å |
| 683 | R | 93.1 | Very high | 91.3 | Very high | 114 Ų | 114 | 48 Ų | 48 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.6 | -172.7 | -179.3 | 179.9 | -85.5 | 1.2 | 111.8 | A679 Y680 W685 L686 C687 L692 | A679-R683 WeakPolarHBondContact O-CB 3.42Å; A679-R683 PolarHBondContact O-N 2.91Å; Y680-R683 PolarHBondContact O-N 3.12Å; R683-W685 VanDerWaalsContact C-N 3.33Å; R683-W685 PolarHBondContact O-N 3.12Å; R683-L686 PolarHBondContact O-N 2.82Å; R683-C687 WeakPolarHBondContact O-CB 3.49Å; R683-C687 PolarHBondContact O-N 3.03Å; R683-C687 PolarHBondContact O-SG 3.42Å; R683-L692 HydrophobicContact CG-CD1 3.77Å |
| 684 | L | 92.6 | Very high | 90.5 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 177 | -81.3 | -178 | 0 | 0 | 0 | 111.8 | Y680 L681 C687 H688 | Y680-L684 HydrophobicContact CD1-CD1 3.78Å; Y680-L684 HydrophobicContact CD1-CG 4.27Å; Y680-L684 HydrophobicContact CD2-CG 4.26Å; Y680-L684 HydrophobicContact CE1-CD1 3.2Å; Y680-L684 HydrophobicContact CE1-CG 3.88Å; Y680-L684 HydrophobicContact CE2-CD1 4.09Å; Y680-L684 HydrophobicContact CE2-CD2 3.98Å; Y680-L684 HydrophobicContact CE2-CG 3.84Å; Y680-L684 HydrophobicContact CG-CD1 4.45Å; Y680-L684 HydrophobicContact CG-CG 4.46Å; Y680-L684 WeakPolarHBondContact O-CB 3.47Å; Y680-L684 WeakPolarHBondContact O-CG 3.23Å; Y680-L684 PolarHBondContact O-N 3.29Å; L681-L684 PolarHBondContact O-N 2.9Å; L684-C687 WeakPolarHBondContact O-CB 3.37Å; L684-C687 PolarHBondContact O-N 3.36Å; L684-H688 WeakPolarHBondContact O-CB 3.49Å; L684-H688 PolarHBondContact O-N 3.1Å |
| 685 | W | 92 | Very high | 89.7 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 177.8 | -171.6 | 99.4 | 0 | 0 | 0 | 111.3 | L681 L682 R683 C687 H688 Y689 T832 A836 L839 W966 V969 | L681-W685 PolarHBondContact O-N 3.23Å; L682-W685 PolarHBondContact O-N 3.49Å; R683-W685 VanDerWaalsContact C-N 3.33Å; R683-W685 PolarHBondContact O-N 3.12Å; W685-C687 VanDerWaalsContact C-N 3.35Å; W685-C687 PolarHBondContact O-N 3.17Å; W685-H688 PolarHBondContact O-N 3.44Å; W685-Y689 HydrophobicContact CD2-CD2 4.02Å; W685-Y689 HydrophobicContact CD2-CE2 4.19Å; W685-Y689 AromaticContact CE2-CD2 3.79Å; W685-Y689 AromaticContact CE2-CE2 3.57Å; W685-Y689 HydrophobicContact CE3-CD2 4.26Å; W685-Y689 HydrophobicContact CH2-CD2 4.05Å; W685-Y689 HydrophobicContact CH2-CE2 4.35Å; W685-Y689 AromaticContact CZ2-CD2 3.83Å; W685-Y689 HydrophobicContact CZ2-CD2 3.83Å; W685-Y689 AromaticContact CZ2-CE2 3.69Å; W685-Y689 HydrophobicContact CZ2-CE2 3.69Å; W685-Y689 HydrophobicContact CZ3-CD2 4.25Å; W685-Y689 AromaticContact NE1-CE2 3.7Å; W685-Y689 PolarHBondContact O-N 2.58Å; W685-T832 HydrophobicContact CH2-CG2 3.7Å; W685-T832 HydrophobicContact CZ2-CG2 4.16Å; W685-A836 HydrophobicContact CZ3-CB 4.03Å; W685-L839 HydrophobicContact CD2-CD1 3.79Å; W685-L839 HydrophobicContact CE3-CD1 3.59Å; W685-L839 HydrophobicContact CH2-CD1 3.52Å; W685-L839 HydrophobicContact CZ2-CD1 3.68Å; W685-L839 HydrophobicContact CZ3-CD1 3.48Å; W685-L839 VanDerWaalsContact CZ3-CD1 3.48Å; W685-W966 AromaticContact CE2-CH2 3.98Å; W685-W966 AromaticContact CZ2-CH2 4Å; W685-W966 HydrophobicContact CZ2-CH2 4Å; W685-W966 HydrophobicContact CZ2-CZ3 4.13Å; W685-W966 AromaticContact NE1-CH2 3.75Å; W685-V969 HydrophobicContact CZ2-CG1 4.27Å |
| 686 | L | 90.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.7 | -68.3 | 170.2 | 0 | 0 | 0 | 112.1 | L682 R683 G690 N691 L692 A702 A836 L840 | L682-L686 HydrophobicContact CD1-CD1 4.27Å; L682-L686 HydrophobicContact CD1-CG 4.41Å; L682-L686 HydrophobicContact CG-CD1 4.24Å; L682-L686 WeakPolarHBondContact O-CG 3.28Å; L682-L686 PolarHBondContact O-N 3Å; R683-L686 PolarHBondContact O-N 2.82Å; L686-G690 PolarHBondContact O-N 3.36Å; L686-N691 HydrophobicContact CB-CB 4.29Å; L686-N691 HydrophobicContact CD2-CB 4.02Å; L686-N691 WeakPolarHBondContact O-CB 3.33Å; L686-N691 PolarHBondContact O-N 2.65Å; L686-L692 HydrophobicContact CB-CD1 4.31Å; L686-L692 HydrophobicContact CB-CD2 3.86Å; L686-L692 HydrophobicContact CB-CG 3.81Å; L686-L692 HydrophobicContact CD1-CD2 4.11Å; L686-A702 HydrophobicContact CD1-CB 4.01Å; L686-A836 HydrophobicContact CD2-CB 3.75Å; L686-L840 HydrophobicContact CD1-CD1 4.2Å |
| 687 | C | 89.3 | Confident | 88.7 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 173.2 | -75 | 0 | 0 | 0 | 0 | 112 | R683 L684 W685 Y689 G690 L692 | R683-C687 WeakPolarHBondContact O-CB 3.49Å; R683-C687 PolarHBondContact O-N 3.03Å; R683-C687 PolarHBondContact O-SG 3.42Å; L684-C687 WeakPolarHBondContact O-CB 3.37Å; L684-C687 PolarHBondContact O-N 3.36Å; W685-C687 VanDerWaalsContact C-N 3.35Å; W685-C687 PolarHBondContact O-N 3.17Å; C687-Y689 VanDerWaalsContact C-N 3.25Å; C687-Y689 PolarHBondContact O-N 2.8Å; C687-G690 PolarHBondContact O-N 3.23Å; C687-L692 WeakPolarHBondContact SG-CD1 3.28Å |
| 688 | H | 85.9 | Confident | 88.3 | Confident | 146 Ų | 146 | 48.6 Ų | 48.6 | 68% | 0.676 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.4 | -39.5 | -176 | -178.5 | 71.6 | 0 | 0 | 0 | 112.3 | L684 W685 | L684-H688 WeakPolarHBondContact O-CB 3.49Å; L684-H688 PolarHBondContact O-N 3.1Å; W685-H688 PolarHBondContact O-N 3.44Å |
| 689 | Y | 83.5 | Confident | 88.1 | Confident | 64 Ų | 64 | 47.7 Ų | 47.7 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 8.2 | 177.8 | -69.5 | -75 | 0 | 0 | 0 | 114.2 | W685 C687 N691 G829 T832 V969 | W685-Y689 HydrophobicContact CD2-CD2 4.02Å; W685-Y689 HydrophobicContact CD2-CE2 4.19Å; W685-Y689 AromaticContact CE2-CD2 3.79Å; W685-Y689 AromaticContact CE2-CE2 3.57Å; W685-Y689 HydrophobicContact CE3-CD2 4.26Å; W685-Y689 HydrophobicContact CH2-CD2 4.05Å; W685-Y689 HydrophobicContact CH2-CE2 4.35Å; W685-Y689 AromaticContact CZ2-CD2 3.83Å; W685-Y689 HydrophobicContact CZ2-CD2 3.83Å; W685-Y689 AromaticContact CZ2-CE2 3.69Å; W685-Y689 HydrophobicContact CZ2-CE2 3.69Å; W685-Y689 HydrophobicContact CZ3-CD2 4.25Å; W685-Y689 AromaticContact NE1-CE2 3.7Å; W685-Y689 PolarHBondContact O-N 2.58Å; C687-Y689 VanDerWaalsContact C-N 3.25Å; C687-Y689 PolarHBondContact O-N 2.8Å; Y689-N691 VanDerWaalsContact C-N 3.27Å; Y689-N691 VanDerWaalsContact CB-ND2 3.29Å; Y689-N691 WeakPolarHBondContact CB-ND2 3.33Å; Y689-N691 PolarHBondContact O-N 2.89Å; Y689-G829 WeakPolarHBondContact O-CA 3.45Å; Y689-G829 PolarHBondContact O-N 3.28Å; Y689-T832 HydrophobicContact CD1-CG2 3.57Å; Y689-T832 HydrophobicContact CD2-CG2 3.85Å; Y689-T832 HydrophobicContact CE1-CG2 4Å; Y689-T832 HydrophobicContact CE2-CG2 4.26Å; Y689-T832 HydrophobicContact CG-CG2 3.49Å; Y689-T832 VanDerWaalsContact CG-CG2 3.49Å; Y689-V969 HydrophobicContact CE1-CG1 4.11Å; Y689-V969 HydrophobicContact CE2-CG1 4.13Å; Y689-V969 VanDerWaalsContact OH-CG1 3.3Å; Y689-V969 WeakPolarHBondContact OH-CG1 3.47Å |
| 690 | G | 81.5 | Confident | 88.1 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 13.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L686 C687 L692 N693 | L686-G690 PolarHBondContact O-N 3.36Å; C687-G690 PolarHBondContact O-N 3.23Å; G690-L692 PolarHBondContact O-N 3.29Å; G690-N693 PolarHBondContact O-N 3.47Å |
| 691 | N | 86.2 | Confident | 88 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -66.6 | -25.2 | -177.1 | -69 | -66.2 | 0 | 0 | 0 | 113.3 | L686 Y689 N693 S694 T762 T832 A836 | L686-N691 HydrophobicContact CB-CB 4.29Å; L686-N691 HydrophobicContact CD2-CB 4.02Å; L686-N691 WeakPolarHBondContact O-CB 3.33Å; L686-N691 PolarHBondContact O-N 2.65Å; Y689-N691 VanDerWaalsContact C-N 3.27Å; Y689-N691 VanDerWaalsContact CB-ND2 3.29Å; Y689-N691 WeakPolarHBondContact CB-ND2 3.33Å; Y689-N691 PolarHBondContact O-N 2.89Å; N691-N693 VanDerWaalsContact C-N 3.32Å; N691-S694 PolarHBondContact O-OG 3.02Å; N691-T762 HydrophobicContact CB-CG2 4.32Å; N691-T762 PolarHBondContact OD1-OG1 3.09Å; N691-T832 PolarHBondContact ND2-OG1 3.01Å; N691-T832 PolarHBondContact OD1-OG1 2.68Å; N691-T832 VanDerWaalsContact OD1-OG1 3.13Å; N691-A836 HydrophobicContact CB-CB 4.19Å; N691-A836 VanDerWaalsContact CG-CB 3.44Å; N691-A836 WeakPolarHBondContact OD1-CB 3.43Å |
| 692 | L | 85.6 | Confident | 87.9 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -83.6 | -2.4 | 179 | -61.1 | -168.2 | 0 | 0 | 0 | 113.4 | R683 L686 C687 G690 S694 A702 R703 | R683-L692 HydrophobicContact CG-CD1 3.77Å; L686-L692 HydrophobicContact CB-CD1 4.31Å; L686-L692 HydrophobicContact CB-CD2 3.86Å; L686-L692 HydrophobicContact CB-CG 3.81Å; L686-L692 HydrophobicContact CD1-CD2 4.11Å; C687-L692 WeakPolarHBondContact SG-CD1 3.28Å; G690-L692 PolarHBondContact O-N 3.29Å; L692-S694 VanDerWaalsContact C-N 3.26Å; L692-S694 PolarHBondContact O-N 3.23Å; L692-A702 HydrophobicContact CD2-CB 3.53Å; L692-R703 PolarHBondContact O-NE 2.82Å; L692-R703 VanDerWaalsContact O-NE 3.1Å; L692-R703 PolarHBondContact O-NH2 3.38Å |
| 693 | N | 82.1 | Confident | 87.8 | Confident | 78 Ų | 78 | 46.1 Ų | 46.1 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -76.9 | -13.3 | -178.9 | -69.2 | -22.4 | 0 | 0 | 0 | 113.3 | G690 N691 F764 | G690-N693 PolarHBondContact O-N 3.47Å; N691-N693 VanDerWaalsContact C-N 3.32Å; N693-F764 HydrophobicContact CB-CB 3.98Å; N693-F764 HydrophobicContact CB-CD1 3.93Å; N693-F764 HydrophobicContact CB-CG 4.03Å; N693-F764 VanDerWaalsContact O-CD2 3.25Å; N693-F764 WeakPolarHBondContact O-CD2 3.34Å; N693-F764 WeakPolarHBondContact O-CG 3.44Å |
| 694 | S | 78.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -76.9 | 152.1 | 178.6 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | N691 L692 G696 A699 | N691-S694 PolarHBondContact O-OG 3.02Å; L692-S694 VanDerWaalsContact C-N 3.26Å; L692-S694 PolarHBondContact O-N 3.23Å; S694-G696 VanDerWaalsContact C-N 3.29Å; S694-A699 WeakPolarHBondContact O-CB 3.45Å; S694-A699 VanDerWaalsContact OG-CB 3.28Å; S694-A699 WeakPolarHBondContact OG-CB 3.34Å |
| 695 | S | 79.2 | Confident | 88 | Confident | 123 Ų | 123 | 45.4 Ų | 45.4 | 86% | 0.86 | 23% | 0.229 | S | C | * | . | trans | -92.2 | 14.5 | 171.4 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 696 | G | 84.4 | Confident | 88.1 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -76.3 | 167.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S694 T698 A699 F700 D759 | S694-G696 VanDerWaalsContact C-N 3.29Å; G696-T698 VanDerWaalsContact C-N 3.32Å; G696-T698 PolarHBondContact O-N 3.47Å; G696-A699 PolarHBondContact O-N 3.46Å; G696-A699 VanDerWaalsContact O-N 3.15Å; G696-F700 PolarHBondContact O-N 3.25Å; G696-D759 VanDerWaalsContact CA-OD2 3.23Å; G696-D759 WeakPolarHBondContact CA-OD2 3.33Å |
| 697 | G | 87 | Confident | 88.4 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F700 A701 D759 | G697-F700 WeakPolarHBondContact O-CB 3.5Å; G697-F700 PolarHBondContact O-N 2.87Å; G697-A701 PolarHBondContact O-N 3.06Å; G697-D759 PolarHBondContact N-OD2 3.39Å |
| 698 | T | 90.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.7 | -67 | 0 | 0 | 0 | 0 | 112.2 | G696 A701 A702 I756 D759 P760 T762 P837 L840 | G696-T698 VanDerWaalsContact C-N 3.32Å; G696-T698 PolarHBondContact O-N 3.47Å; T698-A701 PolarHBondContact O-N 3.06Å; T698-A702 PolarHBondContact O-N 2.84Å; T698-A702 VanDerWaalsContact O-N 3.08Å; T698-I756 HydrophobicContact CG2-CG1 4.28Å; T698-D759 WeakPolarHBondContact CB-O 3.35Å; T698-D759 PolarHBondContact N-O 3.21Å; T698-D759 PolarHBondContact OG1-O 3.2Å; T698-P760 WeakPolarHBondContact OG1-CA 3.37Å; T698-T762 HydrophobicContact CG2-CG2 3.4Å; T698-T762 VanDerWaalsContact CG2-CG2 3.4Å; T698-P837 HydrophobicContact CG2-CB 4.49Å; T698-L840 HydrophobicContact CG2-CD2 3.66Å; T698-L840 VanDerWaalsContact O-CD2 3.3Å; T698-L840 WeakPolarHBondContact O-CD2 3.42Å |
| 699 | A | 90.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.8 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S694 G696 A702 R703 | S694-A699 WeakPolarHBondContact O-CB 3.45Å; S694-A699 VanDerWaalsContact OG-CB 3.28Å; S694-A699 WeakPolarHBondContact OG-CB 3.34Å; G696-A699 PolarHBondContact O-N 3.46Å; G696-A699 VanDerWaalsContact O-N 3.15Å; A699-A702 PolarHBondContact O-N 3.36Å; A699-R703 WeakPolarHBondContact O-CB 3.44Å; A699-R703 VanDerWaalsContact O-CG 3.27Å; A699-R703 WeakPolarHBondContact O-CG 3.12Å; A699-R703 PolarHBondContact O-N 2.89Å |
| 700 | F | 93.2 | Very high | 89.8 | Confident | 101 Ų | 101 | 38 Ų | 38 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 170.9 | 178.9 | -91.5 | 0 | 0 | 0 | 111.5 | G696 G697 A702 R703 W704 V705 L755 | G696-F700 PolarHBondContact O-N 3.25Å; G697-F700 WeakPolarHBondContact O-CB 3.5Å; G697-F700 PolarHBondContact O-N 2.87Å; F700-A702 VanDerWaalsContact C-N 3.33Å; F700-A702 PolarHBondContact O-N 3.42Å; F700-R703 PolarHBondContact O-N 3.37Å; F700-W704 AromaticContact CD2-CD1 3.52Å; F700-W704 HydrophobicContact CD2-CG 4.38Å; F700-W704 HydrophobicContact CE2-CB 4.26Å; F700-W704 AromaticContact CE2-CD1 3.54Å; F700-W704 HydrophobicContact CE2-CG 4.08Å; F700-W704 HydrophobicContact CZ-CB 4.19Å; F700-W704 HydrophobicContact CZ-CG 4.48Å; F700-W704 PolarHBondContact O-N 3.25Å; F700-V705 HydrophobicContact CD1-CG2 4.09Å; F700-V705 HydrophobicContact CE1-CG2 3.85Å; F700-L755 HydrophobicContact CD1-CD1 3.74Å; F700-L755 HydrophobicContact CE1-CD1 4.27Å |
| 701 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -59 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G697 T698 V705 L706 L755 L840 | G697-A701 PolarHBondContact O-N 3.06Å; T698-A701 PolarHBondContact O-N 3.06Å; A701-V705 HydrophobicContact CB-CB 4.42Å; A701-V705 HydrophobicContact CB-CG2 4.47Å; A701-V705 WeakPolarHBondContact O-CB 3.1Å; A701-V705 PolarHBondContact O-N 3.36Å; A701-V705 VanDerWaalsContact O-N 3.16Å; A701-L706 PolarHBondContact O-N 3.08Å; A701-L755 HydrophobicContact CB-CB 4.45Å; A701-L755 HydrophobicContact CB-CD1 4.36Å; A701-L840 HydrophobicContact CB-CD2 4.33Å |
| 702 | A | 92.3 | Very high | 91 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -66.9 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L686 L692 T698 A699 F700 L840 | L686-A702 HydrophobicContact CD1-CB 4.01Å; L692-A702 HydrophobicContact CD2-CB 3.53Å; T698-A702 PolarHBondContact O-N 2.84Å; T698-A702 VanDerWaalsContact O-N 3.08Å; A699-A702 PolarHBondContact O-N 3.36Å; F700-A702 VanDerWaalsContact C-N 3.33Å; F700-A702 PolarHBondContact O-N 3.42Å; A702-L840 HydrophobicContact CB-CD1 3.75Å; A702-L840 HydrophobicContact CB-CD2 3.79Å; A702-L840 HydrophobicContact CB-CG 4.43Å |
| 703 | R | 92.3 | Very high | 91.4 | Very high | 108 Ų | 108 | 41.9 Ų | 41.9 | 41% | 0.408 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -79.6 | -35.8 | -175.9 | -74.3 | 173 | 173.1 | -161.4 | -4.8 | 113.5 | L692 A699 F700 | L692-R703 PolarHBondContact O-NE 2.82Å; L692-R703 VanDerWaalsContact O-NE 3.1Å; L692-R703 PolarHBondContact O-NH2 3.38Å; A699-R703 WeakPolarHBondContact O-CB 3.44Å; A699-R703 VanDerWaalsContact O-CG 3.27Å; A699-R703 WeakPolarHBondContact O-CG 3.12Å; A699-R703 PolarHBondContact O-N 2.89Å; F700-R703 PolarHBondContact O-N 3.37Å |
| 704 | W | 93.8 | Very high | 91.9 | Very high | 165 Ų | 165 | 38.4 Ų | 38.4 | 63% | 0.625 | 21% | 0.207 | S | C | * | . | I | π-helix | trans | -124 | -48.2 | -168.7 | -62.8 | 109 | 0 | 0 | 0 | 113.4 | F700 L708 | F700-W704 AromaticContact CD2-CD1 3.52Å; F700-W704 HydrophobicContact CD2-CG 4.38Å; F700-W704 HydrophobicContact CE2-CB 4.26Å; F700-W704 AromaticContact CE2-CD1 3.54Å; F700-W704 HydrophobicContact CE2-CG 4.08Å; F700-W704 HydrophobicContact CZ-CB 4.19Å; F700-W704 HydrophobicContact CZ-CG 4.48Å; F700-W704 PolarHBondContact O-N 3.25Å; W704-L708 VanDerWaalsContact O-CB 3.25Å; W704-L708 WeakPolarHBondContact O-CB 3.45Å; W704-L708 PolarHBondContact O-N 3.15Å; W704-L708 VanDerWaalsContact O-N 3.1Å |
| 705 | V | 96.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -67.8 | -47.6 | -174.8 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | F700 A701 L708 L709 L748 L751 L755 | F700-V705 HydrophobicContact CD1-CG2 4.09Å; F700-V705 HydrophobicContact CE1-CG2 3.85Å; A701-V705 HydrophobicContact CB-CB 4.42Å; A701-V705 HydrophobicContact CB-CG2 4.47Å; A701-V705 WeakPolarHBondContact O-CB 3.1Å; A701-V705 PolarHBondContact O-N 3.36Å; A701-V705 VanDerWaalsContact O-N 3.16Å; V705-L708 PolarHBondContact O-N 3Å; V705-L709 VanDerWaalsContact O-CB 3.24Å; V705-L709 WeakPolarHBondContact O-CB 3.25Å; V705-L709 PolarHBondContact O-N 3Å; V705-L748 HydrophobicContact CG1-CB 4.25Å; V705-L748 WeakPolarHBondContact CG1-O 3.29Å; V705-L751 HydrophobicContact CG2-CD2 4.29Å; V705-L755 HydrophobicContact CG2-CD1 4.37Å |
| 706 | L | 94.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -50.1 | -179.9 | 173 | 68.7 | 0 | 0 | 0 | 112.5 | A679 L682 A701 L708 L709 C710 L840 L844 V847 | A679-L706 HydrophobicContact CB-CD2 4.43Å; A679-L706 HydrophobicContact CB-CG 4.41Å; L682-L706 HydrophobicContact CD2-CD2 3.84Å; A701-L706 PolarHBondContact O-N 3.08Å; L706-L708 PolarHBondContact O-N 3.15Å; L706-L709 WeakPolarHBondContact O-CB 3.31Å; L706-L709 PolarHBondContact O-N 3.05Å; L706-C710 PolarHBondContact O-N 2.97Å; L706-C710 PolarHBondContact O-SG 3.46Å; L706-C710 VanDerWaalsContact O-SG 3.36Å; L706-L840 HydrophobicContact CD2-CD1 4.25Å; L706-L844 HydrophobicContact CB-CD2 3.9Å; L706-L844 HydrophobicContact CD1-CD2 3.94Å; L706-V847 HydrophobicContact CD1-CG2 4.08Å |
| 707 | P | 95.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 34% | 0.344 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.5 | -26.7 | 36.3 | 0 | 0 | 0 | 113.6 | L709 C710 V711 | P707-L709 VanDerWaalsContact C-N 3.32Å; P707-L709 PolarHBondContact O-N 3.38Å; P707-C710 PolarHBondContact O-N 3.48Å; P707-V711 WeakPolarHBondContact O-CG2 3.45Å; P707-V711 PolarHBondContact O-N 2.82Å |
| 708 | L | 96.3 | Very high | 93.4 | Very high | 88 Ų | 88 | 38.5 Ų | 38.5 | 46% | 0.461 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 179.9 | -173 | 63.5 | 0 | 0 | 0 | 111.5 | W704 V705 L706 V711 C712 L748 | W704-L708 VanDerWaalsContact O-CB 3.25Å; W704-L708 WeakPolarHBondContact O-CB 3.45Å; W704-L708 PolarHBondContact O-N 3.15Å; W704-L708 VanDerWaalsContact O-N 3.1Å; V705-L708 PolarHBondContact O-N 3Å; L706-L708 PolarHBondContact O-N 3.15Å; L708-V711 PolarHBondContact O-N 3.01Å; L708-C712 PolarHBondContact O-N 3.49Å; L708-C712 PolarHBondContact O-SG 3.16Å; L708-C712 VanDerWaalsContact O-SG 3.38Å; L708-L748 HydrophobicContact CB-CD1 4.17Å; L708-L748 HydrophobicContact CD2-CD1 3.74Å; L708-L748 HydrophobicContact CD2-CD2 3.72Å; L708-L748 HydrophobicContact CD2-CG 4.39Å; L708-L748 HydrophobicContact CG-CD1 3.6Å; L708-L748 HydrophobicContact CG-CD2 4.43Å |
| 709 | L | 96.4 | Very high | 93 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 172.8 | 177.6 | 63.1 | 0 | 0 | 0 | 111.4 | V705 L706 P707 V711 C712 A713 A745 L748 L749 L844 V847 | V705-L709 VanDerWaalsContact O-CB 3.24Å; V705-L709 WeakPolarHBondContact O-CB 3.25Å; V705-L709 PolarHBondContact O-N 3Å; L706-L709 WeakPolarHBondContact O-CB 3.31Å; L706-L709 PolarHBondContact O-N 3.05Å; P707-L709 VanDerWaalsContact C-N 3.32Å; P707-L709 PolarHBondContact O-N 3.38Å; L709-V711 VanDerWaalsContact C-N 3.31Å; L709-V711 PolarHBondContact O-N 2.8Å; L709-C712 PolarHBondContact O-N 3.15Å; L709-A713 PolarHBondContact O-N 3.38Å; L709-A745 HydrophobicContact CD1-CB 3.71Å; L709-A745 WeakPolarHBondContact CD1-O 3.3Å; L709-L748 HydrophobicContact CB-CB 4.49Å; L709-L748 HydrophobicContact CD1-CB 4.37Å; L709-L749 HydrophobicContact CD1-CB 4.45Å; L709-L749 HydrophobicContact CD2-CB 4.41Å; L709-L749 HydrophobicContact CD2-CD1 4.26Å; L709-L844 HydrophobicContact CD2-CD2 4.05Å; L709-V847 HydrophobicContact CD2-CB 3.91Å; L709-V847 HydrophobicContact CD2-CG1 3.76Å; L709-V847 HydrophobicContact CG-CB 4.38Å; L709-V847 HydrophobicContact CG-CG1 3.67Å |
| 710 | C | 96.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 9% | 0.088 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.8 | -67 | 0 | 0 | 0 | 0 | 112.2 | L675 L706 P707 A713 G714 | L675-C710 HydrophobicContact CD1-CB 4.3Å; L675-C710 HydrophobicContact CD2-CB 3.92Å; L675-C710 VanDerWaalsContact CD2-O 3.28Å; L675-C710 WeakPolarHBondContact CD2-O 3.3Å; L675-C710 HydrophobicContact CG-CB 3.91Å; L706-C710 PolarHBondContact O-N 2.97Å; L706-C710 PolarHBondContact O-SG 3.46Å; L706-C710 VanDerWaalsContact O-SG 3.36Å; P707-C710 PolarHBondContact O-N 3.48Å; C710-A713 PolarHBondContact O-N 3.43Å; C710-G714 PolarHBondContact O-N 3.47Å |
| 711 | V | 96 | Very high | 91.3 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | P707 L708 L709 A713 G714 L715 | P707-V711 WeakPolarHBondContact O-CG2 3.45Å; P707-V711 PolarHBondContact O-N 2.82Å; L708-V711 PolarHBondContact O-N 3.01Å; L709-V711 VanDerWaalsContact C-N 3.31Å; L709-V711 PolarHBondContact O-N 2.8Å; V711-A713 VanDerWaalsContact C-N 3.32Å; V711-A713 PolarHBondContact O-N 3.25Å; V711-G714 PolarHBondContact O-N 3.41Å; V711-L715 HydrophobicContact CG1-CD1 3.87Å; V711-L715 HydrophobicContact CG1-CG 4.3Å; V711-L715 WeakPolarHBondContact O-CB 3.42Å; V711-L715 VanDerWaalsContact O-CG 3.3Å; V711-L715 WeakPolarHBondContact O-CG 3.46Å; V711-L715 PolarHBondContact O-N 3.46Å |
| 712 | C | 95.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 10% | 0.095 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | L708 L709 H716 A745 | L708-C712 PolarHBondContact O-N 3.49Å; L708-C712 PolarHBondContact O-SG 3.16Å; L708-C712 VanDerWaalsContact O-SG 3.38Å; L709-C712 PolarHBondContact O-N 3.15Å; C712-H716 VanDerWaalsContact O-CB 3.31Å; C712-H716 WeakPolarHBondContact O-CB 3.37Å; C712-H716 PolarHBondContact O-N 3.28Å; C712-A745 HydrophobicContact CB-CB 3.98Å |
| 713 | A | 93.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -46.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L675 L709 C710 V711 L715 H716 W717 L851 | L675-A713 HydrophobicContact CD2-CB 4.16Å; L709-A713 PolarHBondContact O-N 3.38Å; C710-A713 PolarHBondContact O-N 3.43Å; V711-A713 VanDerWaalsContact C-N 3.32Å; V711-A713 PolarHBondContact O-N 3.25Å; A713-L715 PolarHBondContact O-N 3.14Å; A713-H716 WeakPolarHBondContact O-CB 3.19Å; A713-H716 PolarHBondContact O-N 3.23Å; A713-W717 PolarHBondContact O-N 2.64Å; A713-L851 HydrophobicContact CB-CD1 4.33Å |
| 714 | G | 94.2 | Very high | 86.3 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y668 C710 V711 W717 A718 | Y668-G714 PolarHBondContact OH-O 3.49Å; C710-G714 PolarHBondContact O-N 3.47Å; V711-G714 PolarHBondContact O-N 3.41Å; G714-W717 PolarHBondContact O-N 3.08Å; G714-A718 PolarHBondContact O-N 2.99Å |
| 715 | L | 93.1 | Very high | 84.2 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 45% | 0.445 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 174.7 | -70.7 | 175.2 | 0 | 0 | 0 | 111.8 | V711 A713 W717 A718 V719 L741 | V711-L715 HydrophobicContact CG1-CD1 3.87Å; V711-L715 HydrophobicContact CG1-CG 4.3Å; V711-L715 WeakPolarHBondContact O-CB 3.42Å; V711-L715 VanDerWaalsContact O-CG 3.3Å; V711-L715 WeakPolarHBondContact O-CG 3.46Å; V711-L715 PolarHBondContact O-N 3.46Å; A713-L715 PolarHBondContact O-N 3.14Å; L715-W717 VanDerWaalsContact C-N 3.3Å; L715-W717 PolarHBondContact O-N 3.06Å; L715-A718 WeakPolarHBondContact O-CB 3.31Å; L715-A718 PolarHBondContact O-N 3.23Å; L715-V719 WeakPolarHBondContact O-CG2 3.42Å; L715-V719 PolarHBondContact O-N 3.46Å; L715-L741 HydrophobicContact CB-CD1 3.93Å; L715-L741 HydrophobicContact CB-CD2 4.02Å; L715-L741 HydrophobicContact CD1-CD2 4.26Å |
| 716 | H | 90.4 | Very high | 82.1 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 175.6 | 168.9 | 59.8 | 0 | 0 | 0 | 111.1 | C712 A713 V719 G720 L741 | C712-H716 VanDerWaalsContact O-CB 3.31Å; C712-H716 WeakPolarHBondContact O-CB 3.37Å; C712-H716 PolarHBondContact O-N 3.28Å; A713-H716 WeakPolarHBondContact O-CB 3.19Å; A713-H716 PolarHBondContact O-N 3.23Å; H716-V719 PolarHBondContact O-N 3.2Å; H716-G720 PolarHBondContact O-N 3.04Å; H716-L741 HydrophobicContact CB-CB 4.07Å |
| 717 | W | 88.8 | Confident | 80.4 | Confident | 6 Ų | 6 | 50 Ų | 50 | 2% | 0.023 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 175.6 | -60.8 | -29 | 0 | 0 | 0 | 113 | Y668 L675 A713 G714 L715 V719 G720 A721 L850 E855 A858 | Y668-W717 HydrophobicContact CE2-CB 4.09Å; L675-W717 HydrophobicContact CB-CZ3 4.4Å; L675-W717 HydrophobicContact CD2-CH2 4.24Å; L675-W717 HydrophobicContact CD2-CZ3 3.96Å; A713-W717 PolarHBondContact O-N 2.64Å; G714-W717 PolarHBondContact O-N 3.08Å; L715-W717 VanDerWaalsContact C-N 3.3Å; L715-W717 PolarHBondContact O-N 3.06Å; W717-V719 VanDerWaalsContact C-N 3.33Å; W717-V719 PolarHBondContact O-N 3.48Å; W717-G720 PolarHBondContact O-N 3.26Å; W717-A721 WeakPolarHBondContact O-CB 3.41Å; W717-A721 PolarHBondContact O-N 3Å; W717-L850 HydrophobicContact CH2-CD1 4.25Å; W717-L850 HydrophobicContact CH2-CD2 3.84Å; W717-L850 HydrophobicContact CH2-CG 3.85Å; W717-L850 HydrophobicContact CZ2-CD1 4.11Å; W717-L850 HydrophobicContact CZ2-CD2 4.32Å; W717-L850 HydrophobicContact CZ2-CG 3.8Å; W717-E855 HydrophobicContact CB-CB 4.07Å; W717-E855 HydrophobicContact CD2-CB 3.58Å; W717-E855 HydrophobicContact CE3-CB 4.04Å; W717-E855 HydrophobicContact CG-CB 3.59Å; W717-E855 HydrophobicContact CZ2-CB 4.47Å; W717-A858 HydrophobicContact CH2-CB 3.85Å; W717-A858 HydrophobicContact CZ3-CB 4.16Å |
| 718 | A | 87.6 | Confident | 78.8 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y668 G714 L715 A721 | Y668-A718 HydrophobicContact CE2-CB 4.05Å; Y668-A718 WeakPolarHBondContact OH-CB 3.3Å; G714-A718 PolarHBondContact O-N 2.99Å; L715-A718 WeakPolarHBondContact O-CB 3.31Å; L715-A718 PolarHBondContact O-N 3.23Å; A718-A721 PolarHBondContact O-N 3.31Å |
| 719 | V | 82.3 | Confident | 77.4 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | L715 H716 W717 A721 A722 I734 A737 Q738 L741 | L715-V719 WeakPolarHBondContact O-CG2 3.42Å; L715-V719 PolarHBondContact O-N 3.46Å; H716-V719 PolarHBondContact O-N 3.2Å; W717-V719 VanDerWaalsContact C-N 3.33Å; W717-V719 PolarHBondContact O-N 3.48Å; V719-A721 PolarHBondContact O-N 2.93Å; V719-A722 WeakPolarHBondContact O-CB 3.17Å; V719-A722 PolarHBondContact O-N 2.94Å; V719-I734 HydrophobicContact CG1-CG2 3.84Å; V719-A737 HydrophobicContact CG1-CB 4.1Å; V719-A737 HydrophobicContact CG2-CB 4.14Å; V719-Q738 HydrophobicContact CG1-CG 3.59Å; V719-L741 HydrophobicContact CG2-CD1 3.86Å |
| 720 | G | 74.6 | Confident | 76.2 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -25.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | H716 W717 | H716-G720 PolarHBondContact O-N 3.04Å; W717-G720 PolarHBondContact O-N 3.26Å |
| 721 | A | 72.9 | Confident | 74.8 | Confident | 13 Ų | 13 | 70 Ų | 70 | 11% | 0.107 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -6.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | L655 K664 W717 A718 V719 | L655-A721 HydrophobicContact CB-CB 4.04Å; L655-A721 HydrophobicContact CD1-CB 4.23Å; K664-A721 WeakPolarHBondContact CE-O 3.42Å; K664-A721 PolarHBondContact NZ-O 2.86Å; W717-A721 WeakPolarHBondContact O-CB 3.41Å; W717-A721 PolarHBondContact O-N 3Å; A718-A721 PolarHBondContact O-N 3.31Å; V719-A721 PolarHBondContact O-N 2.93Å |
| 722 | A | 65.3 | Low | 73.8 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 26% | 0.256 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -69.2 | 137.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V719 | V719-A722 WeakPolarHBondContact O-CB 3.17Å; V719-A722 PolarHBondContact O-N 2.94Å |
| 723 | P | 57.2 | Low | 73.1 | Confident | 80 Ų | 80 | 76.9 Ų | 76.9 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | trans | -73.3 | 132.6 | 179.6 | 26.7 | -31.4 | 0 | 0 | 0 | 112.5 | G725 G726 | P723-G725 PolarHBondContact O-N 2.95Å; P723-G725 VanDerWaalsContact O-N 3.13Å; P723-G726 PolarHBondContact O-N 2.87Å | ||
| 724 | E | 50.5 | Low | 72.2 | Confident | 205 Ų | 205 | 78.4 Ų | 78.4 | 96% | 0.958 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26 | -173.9 | -65.7 | -178.8 | 170.6 | 0 | 0 | 114.4 | ||
| 725 | G | 49.4 | Very low | 71.2 | Confident | 66 Ų | 66 | 84.5 Ų | 84.5 | 68% | 0.68 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -13.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | P723 | P723-G725 PolarHBondContact O-N 2.95Å; P723-G725 VanDerWaalsContact O-N 3.13Å |
| 726 | G | 53.4 | Low | 70.7 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 56% | 0.557 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -25.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116 | P723 | P723-G726 PolarHBondContact O-N 2.87Š|
| 727 | F | 60 | Low | 70.5 | Confident | 117 Ų | 117 | 84.2 Ų | 84.2 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | trans | -131.3 | 56 | -167.6 | -62.8 | -79.9 | 0 | 0 | 0 | 113.3 | K729 L730 A731 I734 | F727-K729 PolarHBondContact O-N 2.8Å; F727-L730 HydrophobicContact CB-CB 3.98Å; F727-L730 CarbonylContact O-C 3.57Å; F727-L730 PolarHBondContact O-N 3.45Å; F727-A731 PolarHBondContact O-N 3.15Å; F727-A731 VanDerWaalsContact O-N 3.08Å; F727-I734 HydrophobicContact CB-CD1 4.15Å | ||
| 728 | R | 60.3 | Low | 69.9 | Low | 231 Ų | 231 | 87.5 Ų | 87.5 | 87% | 0.872 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30.9 | 178.1 | -73.7 | -175.6 | 177.7 | 179.2 | -0.8 | 114.1 | ||
| 729 | K | 66.5 | Low | 69.7 | Low | 218 Ų | 218 | 87.9 Ų | 87.9 | 95% | 0.948 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -16.4 | 176.8 | -67.8 | -174.8 | 179.2 | -178.8 | 0 | 114.3 | F727 | F727-K729 PolarHBondContact O-N 2.8Š|
| 730 | L | 71.7 | Confident | 70.1 | Confident | 76 Ų | 76 | 88.9 Ų | 88.9 | 40% | 0.398 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 1.9 | -176.6 | -148.9 | 69.7 | 0 | 0 | 0 | 112.6 | F727 E732 L733 I734 | F727-L730 HydrophobicContact CB-CB 3.98Å; F727-L730 CarbonylContact O-C 3.57Å; F727-L730 PolarHBondContact O-N 3.45Å; L730-E732 VanDerWaalsContact C-N 3.3Å; L730-E732 PolarHBondContact O-N 3.01Å; L730-L733 HydrophobicContact CD1-CB 4.13Å; L730-L733 HydrophobicContact CD1-CD2 3.9Å; L730-L733 HydrophobicContact CD2-CD2 4.24Å; L730-L733 HydrophobicContact CG-CB 4.06Å; L730-L733 HydrophobicContact CG-CD2 3.94Å; L730-L733 PolarHBondContact O-N 3.26Å; L730-I734 HydrophobicContact CB-CD1 4.39Å; L730-I734 WeakPolarHBondContact O-CG1 3.2Å; L730-I734 PolarHBondContact O-N 3.22Å |
| 731 | A | 66.6 | Low | 71 | Confident | 51 Ų | 51 | 88.9 Ų | 88.9 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.6 | -40.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F727 I734 R735 | F727-A731 PolarHBondContact O-N 3.15Å; F727-A731 VanDerWaalsContact O-N 3.08Å; A731-I734 PolarHBondContact O-N 3.01Å; A731-R735 WeakPolarHBondContact O-CB 3.17Å; A731-R735 PolarHBondContact O-N 3.49Å |
| 732 | E | 76.8 | Confident | 71.8 | Confident | 130 Ų | 130 | 88.2 Ų | 88.2 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 175.3 | -73.6 | -58.3 | 149.9 | 0 | 0 | 112.5 | L730 R735 V736 | L730-E732 VanDerWaalsContact C-N 3.3Å; L730-E732 PolarHBondContact O-N 3.01Å; E732-R735 PolarHBondContact O-N 3.36Å; E732-V736 VanDerWaalsContact O-CG2 3.29Å; E732-V736 WeakPolarHBondContact O-CG2 3.43Å; E732-V736 PolarHBondContact O-N 3.24Å |
| 733 | L | 80.5 | Confident | 73.1 | Confident | 111 Ų | 111 | 92 Ų | 92 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68 | -38.7 | 177.7 | -169.5 | 108.4 | 0 | 0 | 0 | 111.5 | L730 V736 A737 | L730-L733 HydrophobicContact CD1-CB 4.13Å; L730-L733 HydrophobicContact CD1-CD2 3.9Å; L730-L733 HydrophobicContact CD2-CD2 4.24Å; L730-L733 HydrophobicContact CG-CB 4.06Å; L730-L733 HydrophobicContact CG-CD2 3.94Å; L730-L733 PolarHBondContact O-N 3.26Å; L733-V736 PolarHBondContact O-N 3.34Å; L733-A737 VanDerWaalsContact O-CB 3.28Å; L733-A737 WeakPolarHBondContact O-CB 3.49Å; L733-A737 PolarHBondContact O-N 3.09Å |
| 734 | I | 73.9 | Confident | 75 | Confident | 33 Ų | 33 | 90.2 Ų | 90.2 | 17% | 0.169 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 174.2 | -70.6 | 170 | 0 | 0 | 0 | 109.9 | V719 F727 L730 A731 V736 A737 Q738 | V719-I734 HydrophobicContact CG1-CG2 3.84Å; F727-I734 HydrophobicContact CB-CD1 4.15Å; L730-I734 HydrophobicContact CB-CD1 4.39Å; L730-I734 WeakPolarHBondContact O-CG1 3.2Å; L730-I734 PolarHBondContact O-N 3.22Å; A731-I734 PolarHBondContact O-N 3.01Å; I734-V736 PolarHBondContact O-N 3.37Å; I734-A737 PolarHBondContact O-N 3.08Å; I734-Q738 HydrophobicContact CG2-CG 4.37Å; I734-Q738 WeakPolarHBondContact O-CB 3.33Å; I734-Q738 VanDerWaalsContact O-CG 3.3Å; I734-Q738 WeakPolarHBondContact O-CG 3.45Å; I734-Q738 PolarHBondContact O-N 2.8Å |
| 735 | R | 72.8 | Confident | 77.2 | Confident | 132 Ų | 132 | 80.5 Ų | 80.5 | 50% | 0.498 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 176.4 | -173.4 | -177.3 | 176.1 | -174.9 | 1.7 | 111.8 | A731 E732 A737 Q738 L739 D933 | A731-R735 WeakPolarHBondContact O-CB 3.17Å; A731-R735 PolarHBondContact O-N 3.49Å; E732-R735 PolarHBondContact O-N 3.36Å; R735-A737 VanDerWaalsContact C-N 3.34Å; R735-A737 PolarHBondContact O-N 3.3Å; R735-Q738 PolarHBondContact O-N 2.96Å; R735-L739 PolarHBondContact O-N 3.01Å; R735-D933 IonicContact NH2-OD1 3Å |
| 736 | V | 84.3 | Confident | 79.4 | Confident | 91 Ų | 91 | 79.7 Ų | 79.7 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | E732 L733 I734 L739 A740 | E732-V736 VanDerWaalsContact O-CG2 3.29Å; E732-V736 WeakPolarHBondContact O-CG2 3.43Å; E732-V736 PolarHBondContact O-N 3.24Å; L733-V736 PolarHBondContact O-N 3.34Å; I734-V736 PolarHBondContact O-N 3.37Å; V736-L739 WeakPolarHBondContact O-CB 3.46Å; V736-L739 PolarHBondContact O-N 3.41Å; V736-A740 VanDerWaalsContact O-CB 3.26Å; V736-A740 WeakPolarHBondContact O-CB 3.34Å; V736-A740 PolarHBondContact O-N 3.43Å |
| 737 | A | 84.5 | Confident | 81.4 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | V719 L733 I734 R735 L739 A740 L741 | V719-A737 HydrophobicContact CG1-CB 4.1Å; V719-A737 HydrophobicContact CG2-CB 4.14Å; L733-A737 VanDerWaalsContact O-CB 3.28Å; L733-A737 WeakPolarHBondContact O-CB 3.49Å; L733-A737 PolarHBondContact O-N 3.09Å; I734-A737 PolarHBondContact O-N 3.08Å; R735-A737 VanDerWaalsContact C-N 3.34Å; R735-A737 PolarHBondContact O-N 3.3Å; A737-L739 PolarHBondContact O-N 2.88Å; A737-A740 PolarHBondContact O-N 3.34Å; A737-L741 HydrophobicContact CB-CD1 4.14Å; A737-L741 WeakPolarHBondContact O-CB 3.29Å; A737-L741 WeakPolarHBondContact O-CG 3.37Å; A737-L741 PolarHBondContact O-N 3.06Å |
| 738 | Q | 75.9 | Confident | 83.2 | Confident | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60 | -27.1 | 173.3 | -74.3 | 175.8 | -19.4 | 0 | 0 | 112.2 | V719 I734 R735 P742 | V719-Q738 HydrophobicContact CG1-CG 3.59Å; I734-Q738 HydrophobicContact CG2-CG 4.37Å; I734-Q738 WeakPolarHBondContact O-CB 3.33Å; I734-Q738 VanDerWaalsContact O-CG 3.3Å; I734-Q738 WeakPolarHBondContact O-CG 3.45Å; I734-Q738 PolarHBondContact O-N 2.8Å; R735-Q738 PolarHBondContact O-N 2.96Å; Q738-P742 VanDerWaalsContact O-CD 3.31Å; Q738-P742 WeakPolarHBondContact O-CD 3.39Å; Q738-P742 WeakPolarHBondContact O-CG 3.46Å |
| 739 | L | 83.4 | Confident | 85 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -85.6 | -50.1 | 174.4 | -168.7 | 68.5 | 0 | 0 | 0 | 112.8 | R735 V736 A737 R743 P932 | R735-L739 PolarHBondContact O-N 3.01Å; V736-L739 WeakPolarHBondContact O-CB 3.46Å; V736-L739 PolarHBondContact O-N 3.41Å; A737-L739 PolarHBondContact O-N 2.88Å; L739-R743 WeakPolarHBondContact O-CD 3.43Å; L739-R743 VanDerWaalsContact O-CG 3.24Å; L739-R743 WeakPolarHBondContact O-CG 3.43Å; L739-P932 VanDerWaalsContact CD1-CD 3.46Å; L739-P932 HydrophobicContact CD1-CG 3.92Å |
| 740 | A | 91.4 | Very high | 86.4 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.8 | -39.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113 | V736 A737 R743 A744 | V736-A740 VanDerWaalsContact O-CB 3.26Å; V736-A740 WeakPolarHBondContact O-CB 3.34Å; V736-A740 PolarHBondContact O-N 3.43Å; A737-A740 PolarHBondContact O-N 3.34Å; A740-R743 PolarHBondContact O-N 3.36Å; A740-A744 VanDerWaalsContact O-CB 3.3Å; A740-A744 WeakPolarHBondContact O-CB 3.42Å; A740-A744 PolarHBondContact O-N 3.23Å |
| 741 | L | 92.8 | Very high | 87.6 | Confident | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.1 | -52.6 | -176.9 | -69.2 | 168.6 | 0 | 0 | 0 | 113.6 | L715 H716 V719 A737 R743 A744 A745 | L715-L741 HydrophobicContact CB-CD1 3.93Å; L715-L741 HydrophobicContact CB-CD2 4.02Å; L715-L741 HydrophobicContact CD1-CD2 4.26Å; H716-L741 HydrophobicContact CB-CB 4.07Å; V719-L741 HydrophobicContact CG2-CD1 3.86Å; A737-L741 HydrophobicContact CB-CD1 4.14Å; A737-L741 WeakPolarHBondContact O-CB 3.29Å; A737-L741 WeakPolarHBondContact O-CG 3.37Å; A737-L741 PolarHBondContact O-N 3.06Å; L741-R743 VanDerWaalsContact C-N 3.31Å; L741-R743 PolarHBondContact O-N 3.44Å; L741-A744 PolarHBondContact O-N 3.44Å; L741-A745 WeakPolarHBondContact O-CB 3.45Å; L741-A745 PolarHBondContact O-N 3.23Å |
| 742 | P | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 177 | 24 | -33.3 | 0 | 0 | 0 | 112.3 | Q738 A745 F746 V929 | Q738-P742 VanDerWaalsContact O-CD 3.31Å; Q738-P742 WeakPolarHBondContact O-CD 3.39Å; Q738-P742 WeakPolarHBondContact O-CG 3.46Å; P742-A745 WeakPolarHBondContact O-CB 3.36Å; P742-A745 PolarHBondContact O-N 3.32Å; P742-F746 HydrophobicContact CB-CE2 4.5Å; P742-F746 WeakPolarHBondContact O-CD2 3.27Å; P742-F746 WeakPolarHBondContact O-CG 3.44Å; P742-F746 PolarHBondContact O-N 3.14Å; P742-V929 HydrophobicContact CB-CG1 3.95Å |
| 743 | R | 93.9 | Very high | 90 | Very high | 110 Ų | 110 | 51.2 Ų | 51.2 | 42% | 0.415 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 174.6 | -72.3 | 178.3 | 179.3 | -170.9 | -3.6 | 112.6 | L739 A740 L741 A745 F746 A747 G930 | L739-R743 WeakPolarHBondContact O-CD 3.43Å; L739-R743 VanDerWaalsContact O-CG 3.24Å; L739-R743 WeakPolarHBondContact O-CG 3.43Å; A740-R743 PolarHBondContact O-N 3.36Å; L741-R743 VanDerWaalsContact C-N 3.31Å; L741-R743 PolarHBondContact O-N 3.44Å; R743-A745 VanDerWaalsContact C-N 3.32Å; R743-F746 PolarHBondContact O-N 2.84Å; R743-A747 WeakPolarHBondContact O-CB 3.46Å; R743-A747 PolarHBondContact O-N 3.08Å; R743-G930 PolarHBondContact NE-O 3.24Å; R743-G930 PolarHBondContact NH2-O 2.93Å |
| 744 | A | 96.1 | Very high | 90.7 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A740 L741 A747 L748 | A740-A744 VanDerWaalsContact O-CB 3.3Å; A740-A744 WeakPolarHBondContact O-CB 3.42Å; A740-A744 PolarHBondContact O-N 3.23Å; L741-A744 PolarHBondContact O-N 3.44Å; A744-A747 PolarHBondContact O-N 3.37Å; A744-L748 WeakPolarHBondContact O-CB 3.43Å; A744-L748 VanDerWaalsContact O-CG 3.27Å; A744-L748 WeakPolarHBondContact O-CG 3.48Å; A744-L748 PolarHBondContact O-N 2.88Å |
| 745 | A | 95.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L709 C712 L741 P742 R743 A747 L748 L749 L851 | L709-A745 HydrophobicContact CD1-CB 3.71Å; L709-A745 WeakPolarHBondContact CD1-O 3.3Å; C712-A745 HydrophobicContact CB-CB 3.98Å; L741-A745 WeakPolarHBondContact O-CB 3.45Å; L741-A745 PolarHBondContact O-N 3.23Å; P742-A745 WeakPolarHBondContact O-CB 3.36Å; P742-A745 PolarHBondContact O-N 3.32Å; R743-A745 VanDerWaalsContact C-N 3.32Å; A745-A747 VanDerWaalsContact C-N 3.35Å; A745-A747 PolarHBondContact O-N 3.48Å; A745-L748 PolarHBondContact O-N 3.02Å; A745-L749 WeakPolarHBondContact O-CB 3.35Å; A745-L749 PolarHBondContact O-N 3.33Å; A745-L851 HydrophobicContact CB-CD2 3.68Å |
| 746 | F | 95.5 | Very high | 92.8 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 174.9 | -70.3 | -52.5 | 0 | 0 | 0 | 113 | P742 R743 L749 G750 L851 L852 V929 L944 | P742-F746 HydrophobicContact CB-CE2 4.5Å; P742-F746 WeakPolarHBondContact O-CD2 3.27Å; P742-F746 WeakPolarHBondContact O-CG 3.44Å; P742-F746 PolarHBondContact O-N 3.14Å; R743-F746 PolarHBondContact O-N 2.84Å; F746-L749 PolarHBondContact O-N 2.86Å; F746-G750 PolarHBondContact O-N 2.97Å; F746-L851 HydrophobicContact CD1-CD2 4.1Å; F746-L851 HydrophobicContact CE1-CD2 3.76Å; F746-L851 HydrophobicContact CE2-CD2 4.24Å; F746-L851 HydrophobicContact CG-CD2 4.47Å; F746-L851 HydrophobicContact CZ-CD2 3.83Å; F746-L852 HydrophobicContact CE1-CD2 4.09Å; F746-L852 HydrophobicContact CZ-CD2 3.78Å; F746-V929 HydrophobicContact CE2-CG1 4.16Å; F746-V929 WeakPolarHBondContact CE2-O 3.43Å; F746-V929 HydrophobicContact CZ-CG1 4.05Å; F746-L944 HydrophobicContact CZ-CD2 4.42Å |
| 747 | A | 96.9 | Very high | 93.3 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 55% | 0.554 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R743 A744 A745 G750 L751 | R743-A747 WeakPolarHBondContact O-CB 3.46Å; R743-A747 PolarHBondContact O-N 3.08Å; A744-A747 PolarHBondContact O-N 3.37Å; A745-A747 VanDerWaalsContact C-N 3.35Å; A745-A747 PolarHBondContact O-N 3.48Å; A747-G750 PolarHBondContact O-N 3.03Å; A747-L751 WeakPolarHBondContact O-CB 3.39Å; A747-L751 PolarHBondContact O-N 3.26Å |
| 748 | L | 97.6 | Very high | 93.8 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | 175.8 | -71.1 | 169.9 | 0 | 0 | 0 | 112 | V705 L708 L709 A744 A745 L751 G752 | V705-L748 HydrophobicContact CG1-CB 4.25Å; V705-L748 WeakPolarHBondContact CG1-O 3.29Å; L708-L748 HydrophobicContact CB-CD1 4.17Å; L708-L748 HydrophobicContact CD2-CD1 3.74Å; L708-L748 HydrophobicContact CD2-CD2 3.72Å; L708-L748 HydrophobicContact CD2-CG 4.39Å; L708-L748 HydrophobicContact CG-CD1 3.6Å; L708-L748 HydrophobicContact CG-CD2 4.43Å; L709-L748 HydrophobicContact CB-CB 4.49Å; L709-L748 HydrophobicContact CD1-CB 4.37Å; A744-L748 WeakPolarHBondContact O-CB 3.43Å; A744-L748 VanDerWaalsContact O-CG 3.27Å; A744-L748 WeakPolarHBondContact O-CG 3.48Å; A744-L748 PolarHBondContact O-N 2.88Å; A745-L748 PolarHBondContact O-N 3.02Å; L748-L751 PolarHBondContact O-N 3.43Å; L748-G752 PolarHBondContact O-N 3.47Å |
| 749 | L | 97.1 | Very high | 94.5 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -51.1 | 173.4 | 177.6 | 64.4 | 0 | 0 | 0 | 110.6 | L709 A745 F746 L751 G752 L753 L844 | L709-L749 HydrophobicContact CD1-CB 4.45Å; L709-L749 HydrophobicContact CD2-CB 4.41Å; L709-L749 HydrophobicContact CD2-CD1 4.26Å; A745-L749 WeakPolarHBondContact O-CB 3.35Å; A745-L749 PolarHBondContact O-N 3.33Å; F746-L749 PolarHBondContact O-N 2.86Å; L749-L751 VanDerWaalsContact C-N 3.34Å; L749-L751 PolarHBondContact O-N 3.25Å; L749-G752 PolarHBondContact O-N 3.13Å; L749-L753 HydrophobicContact CD1-CD1 3.96Å; L749-L753 HydrophobicContact CD1-CG 4.1Å; L749-L753 HydrophobicContact CG-CD1 4.02Å; L749-L753 HydrophobicContact CG-CG 4.46Å; L749-L753 VanDerWaalsContact O-CG 3.3Å; L749-L753 WeakPolarHBondContact O-CG 3.42Å; L749-L753 PolarHBondContact O-N 2.82Å; L749-L844 HydrophobicContact CD1-CB 4.11Å; L749-L844 WeakPolarHBondContact CD1-O 3.49Å |
| 750 | G | 96.8 | Very high | 94.9 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F746 A747 A754 | F746-G750 PolarHBondContact O-N 2.97Å; A747-G750 PolarHBondContact O-N 3.03Å; G750-A754 WeakPolarHBondContact O-CB 3.29Å; G750-A754 PolarHBondContact O-N 3.36Å |
| 751 | L | 97.2 | Very high | 94.8 | Very high | 82 Ų | 82 | 41.1 Ų | 41.1 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.6 | 177.5 | 63.2 | 0 | 0 | 0 | 111.7 | V705 A747 L748 L749 A754 L755 | V705-L751 HydrophobicContact CG2-CD2 4.29Å; A747-L751 WeakPolarHBondContact O-CB 3.39Å; A747-L751 PolarHBondContact O-N 3.26Å; L748-L751 PolarHBondContact O-N 3.43Å; L749-L751 VanDerWaalsContact C-N 3.34Å; L749-L751 PolarHBondContact O-N 3.25Å; L751-A754 PolarHBondContact O-N 3.08Å; L751-L755 HydrophobicContact CD1-CD1 4.07Å; L751-L755 HydrophobicContact CD1-CG 4.1Å; L751-L755 HydrophobicContact CG-CD1 3.99Å; L751-L755 HydrophobicContact CG-CG 4.42Å; L751-L755 WeakPolarHBondContact O-CB 3.35Å; L751-L755 VanDerWaalsContact O-CG 3.23Å; L751-L755 WeakPolarHBondContact O-CG 3.21Å; L751-L755 PolarHBondContact O-N 3.21Å |
| 752 | G | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L748 L749 A754 L755 I756 | L748-G752 PolarHBondContact O-N 3.47Å; L749-G752 PolarHBondContact O-N 3.13Å; G752-A754 PolarHBondContact O-N 3.06Å; G752-L755 PolarHBondContact O-N 3.11Å; G752-I756 WeakPolarHBondContact O-CG1 3.29Å; G752-I756 PolarHBondContact O-N 3.34Å; G752-I756 VanDerWaalsContact O-N 3.1Å |
| 753 | L | 96.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.5 | -61.8 | 177.1 | 0 | 0 | 0 | 111.5 | L749 I756 W757 L844 | L749-L753 HydrophobicContact CD1-CD1 3.96Å; L749-L753 HydrophobicContact CD1-CG 4.1Å; L749-L753 HydrophobicContact CG-CD1 4.02Å; L749-L753 HydrophobicContact CG-CG 4.46Å; L749-L753 VanDerWaalsContact O-CG 3.3Å; L749-L753 WeakPolarHBondContact O-CG 3.42Å; L749-L753 PolarHBondContact O-N 2.82Å; L753-I756 PolarHBondContact O-N 3.21Å; L753-W757 PolarHBondContact O-N 2.98Å; L753-L844 HydrophobicContact CD2-CB 4.04Å; L753-L844 HydrophobicContact CD2-CD1 4.39Å |
| 754 | A | 96.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G750 L751 G752 W757 A758 | G750-A754 WeakPolarHBondContact O-CB 3.29Å; G750-A754 PolarHBondContact O-N 3.36Å; L751-A754 PolarHBondContact O-N 3.08Å; G752-A754 PolarHBondContact O-N 3.06Å; A754-W757 PolarHBondContact O-N 2.89Å; A754-A758 WeakPolarHBondContact O-CB 3.37Å; A754-A758 PolarHBondContact O-N 3.44Å |
| 755 | L | 95.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.6 | -75.1 | 172.3 | 0 | 0 | 0 | 111.9 | F700 A701 V705 L751 G752 W757 A758 D759 | F700-L755 HydrophobicContact CD1-CD1 3.74Å; F700-L755 HydrophobicContact CE1-CD1 4.27Å; A701-L755 HydrophobicContact CB-CB 4.45Å; A701-L755 HydrophobicContact CB-CD1 4.36Å; V705-L755 HydrophobicContact CG2-CD1 4.37Å; L751-L755 HydrophobicContact CD1-CD1 4.07Å; L751-L755 HydrophobicContact CD1-CG 4.1Å; L751-L755 HydrophobicContact CG-CD1 3.99Å; L751-L755 HydrophobicContact CG-CG 4.42Å; L751-L755 WeakPolarHBondContact O-CB 3.35Å; L751-L755 VanDerWaalsContact O-CG 3.23Å; L751-L755 WeakPolarHBondContact O-CG 3.21Å; L751-L755 PolarHBondContact O-N 3.21Å; G752-L755 PolarHBondContact O-N 3.11Å; L755-W757 VanDerWaalsContact C-N 3.28Å; L755-W757 PolarHBondContact O-N 3.14Å; L755-A758 PolarHBondContact O-N 2.94Å; L755-D759 PolarHBondContact O-N 2.84Å |
| 756 | I | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 175 | -65.6 | 170.1 | 0 | 0 | 0 | 110.6 | T698 G752 L753 D759 P760 P837 L840 H841 L844 L1064 | T698-I756 HydrophobicContact CG2-CG1 4.28Å; G752-I756 WeakPolarHBondContact O-CG1 3.29Å; G752-I756 PolarHBondContact O-N 3.34Å; G752-I756 VanDerWaalsContact O-N 3.1Å; L753-I756 PolarHBondContact O-N 3.21Å; I756-D759 CarbonylContact O-C 3.51Å; I756-P760 WeakPolarHBondContact O-CA 3.39Å; I756-P760 VanDerWaalsContact O-CB 3.22Å; I756-P760 WeakPolarHBondContact O-CB 3.34Å; I756-P837 HydrophobicContact CG2-CB 4.48Å; I756-L840 HydrophobicContact CD1-CB 4.26Å; I756-L840 HydrophobicContact CD1-CD2 3.77Å; I756-L840 HydrophobicContact CD1-CG 3.77Å; I756-L840 HydrophobicContact CG1-CD2 4.09Å; I756-H841 HydrophobicContact CD1-CB 4.29Å; I756-L844 HydrophobicContact CD1-CD1 3.54Å; I756-L1064 HydrophobicContact CG2-CD1 4.05Å; I756-L1064 HydrophobicContact CG2-CD2 4.43Å |
| 757 | W | 94.8 | Very high | 89.4 | Confident | 102 Ų | 102 | 45.3 Ų | 45.3 | 39% | 0.386 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.1 | -39.7 | -179.6 | -159.6 | -91.3 | 0 | 0 | 0 | 113.2 | L753 A754 L755 I1060 T1063 L1064 R1067 | L753-W757 PolarHBondContact O-N 2.98Å; A754-W757 PolarHBondContact O-N 2.89Å; L755-W757 VanDerWaalsContact C-N 3.28Å; L755-W757 PolarHBondContact O-N 3.14Å; W757-I1060 HydrophobicContact CZ3-CG2 4.28Å; W757-T1063 HydrophobicContact CH2-CG2 3.6Å; W757-T1063 HydrophobicContact CZ2-CG2 3.7Å; W757-L1064 HydrophobicContact CE3-CD1 4.21Å; W757-L1064 HydrophobicContact CZ3-CB 4.15Å; W757-R1067 PolarHBondContact O-NE 3.42Å |
| 758 | A | 93.9 | Very high | 87.1 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 55% | 0.554 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -69.5 | -51.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A754 L755 R1067 | A754-A758 WeakPolarHBondContact O-CB 3.37Å; A754-A758 PolarHBondContact O-N 3.44Å; L755-A758 PolarHBondContact O-N 2.94Å; A758-R1067 PolarHBondContact O-NH2 3.18Å |
| 759 | D | 91.4 | Very high | 84.4 | Confident | 61 Ų | 61 | 55 Ų | 55 | 33% | 0.326 | 30% | 0.301 | S | S | . | . | trans | -129.1 | 79.6 | -177.9 | -177.7 | 27.2 | 0 | 0 | 0 | 111.3 | G696 G697 T698 L755 I756 L761 | G696-D759 VanDerWaalsContact CA-OD2 3.23Å; G696-D759 WeakPolarHBondContact CA-OD2 3.33Å; G697-D759 PolarHBondContact N-OD2 3.39Å; T698-D759 WeakPolarHBondContact CB-O 3.35Å; T698-D759 PolarHBondContact N-O 3.21Å; T698-D759 PolarHBondContact OG1-O 3.2Å; L755-D759 PolarHBondContact O-N 2.84Å; I756-D759 CarbonylContact O-C 3.51Å; D759-L761 PolarHBondContact O-N 2.97Å | ||
| 760 | P | 91.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | trans | -77.3 | 0.6 | -171.5 | 33.7 | -40.3 | 0 | 0 | 0 | 114.3 | T698 I756 P837 R1067 V1068 A1071 | T698-P760 WeakPolarHBondContact OG1-CA 3.37Å; I756-P760 WeakPolarHBondContact O-CA 3.39Å; I756-P760 VanDerWaalsContact O-CB 3.22Å; I756-P760 WeakPolarHBondContact O-CB 3.34Å; P760-P837 WeakPolarHBondContact O-CB 3.16Å; P760-R1067 HydrophobicContact CG-CG 4.26Å; P760-V1068 HydrophobicContact CB-CG2 3.79Å; P760-V1068 HydrophobicContact CG-CG2 4.43Å; P760-A1071 HydrophobicContact CG-CB 3.58Å | ||
| 761 | L | 89 | Confident | 78.8 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | trans | -86.5 | 130.9 | -172.9 | -67.1 | 176.3 | 0 | 0 | 0 | 111.5 | D759 A1071 V1072 W1075 | D759-L761 PolarHBondContact O-N 2.97Å; L761-A1071 HydrophobicContact CD1-CB 4.08Å; L761-A1071 HydrophobicContact CD2-CB 3.94Å; L761-A1071 HydrophobicContact CG-CB 3.81Å; L761-V1072 HydrophobicContact CD2-CB 4.29Å; L761-V1072 HydrophobicContact CD2-CG2 3.4Å; L761-V1072 VanDerWaalsContact CD2-CG2 3.4Å; L761-W1075 HydrophobicContact CD1-CB 3.78Å; L761-W1075 HydrophobicContact CD1-CG 4.18Å | ||
| 762 | T | 84.4 | Confident | 75.8 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | trans | -106.3 | 11.6 | 172 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | N691 T698 A836 | N691-T762 HydrophobicContact CB-CG2 4.32Å; N691-T762 PolarHBondContact OD1-OG1 3.09Å; T698-T762 HydrophobicContact CG2-CG2 3.4Å; T698-T762 VanDerWaalsContact CG2-CG2 3.4Å; T762-A836 HydrophobicContact CG2-CB 4.3Å | ||
| 763 | V | 83.1 | Confident | 73.1 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | trans | -84.6 | 134 | -175.4 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | Y828 L830 V833 W1075 | V763-Y828 WeakPolarHBondContact CA-O 3.3Å; V763-L830 HydrophobicContact CG1-CD2 3.81Å; V763-L830 HydrophobicContact CG1-CG 3.84Å; V763-L830 HydrophobicContact CG2-CD2 3.87Å; V763-L830 HydrophobicContact CG2-CG 4.32Å; V763-V833 HydrophobicContact CG2-CG2 3.84Å; V763-W1075 HydrophobicContact CG1-CH2 3.74Å; V763-W1075 HydrophobicContact CG1-CZ2 3.51Å; V763-W1075 HydrophobicContact CG1-CZ3 4.42Å | ||
| 764 | F | 80.1 | Confident | 70.2 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137 | 176.8 | 177.6 | -109.6 | 0 | 0 | 0 | 111.2 | N693 K766 A827 Y828 | N693-F764 HydrophobicContact CB-CB 3.98Å; N693-F764 HydrophobicContact CB-CD1 3.93Å; N693-F764 HydrophobicContact CB-CG 4.03Å; N693-F764 VanDerWaalsContact O-CD2 3.25Å; N693-F764 WeakPolarHBondContact O-CD2 3.34Å; N693-F764 WeakPolarHBondContact O-CG 3.44Å; F764-K766 HydrophobicContact CE1-CB 3.93Å; F764-K766 HydrophobicContact CE1-CG 4.48Å; F764-A827 CarbonylContact O-C 3.6Å; F764-A827 VanDerWaalsContact O-CA 3.29Å; F764-A827 WeakPolarHBondContact O-CA 3.33Å; F764-Y828 HydrophobicContact CD1-CD2 4.02Å; F764-Y828 PolarHBondContact N-O 3.42Å; F764-Y828 PolarHBondContact O-N 3.28Å |
| 765 | L | 74.9 | Confident | 67.1 | Low | 47 Ų | 47 | 80.8 Ų | 80.8 | 25% | 0.246 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.5 | 177.5 | -160.6 | 103.8 | 0 | 0 | 0 | 109.2 | T767 M805 V825 A827 W1075 L1079 | L765-T767 HydrophobicContact CD2-CG2 4Å; L765-M805 HydrophobicContact CD1-CE 4.14Å; L765-V825 HydrophobicContact CD1-CG1 3.43Å; L765-V825 VanDerWaalsContact CD1-CG1 3.43Å; L765-V825 HydrophobicContact CD2-CG1 3.64Å; L765-V825 HydrophobicContact CG-CG1 3.43Å; L765-V825 VanDerWaalsContact CG-CG1 3.43Å; L765-A827 HydrophobicContact CD1-CB 4.37Å; L765-W1075 HydrophobicContact CD1-CH2 4.25Å; L765-W1075 HydrophobicContact CD1-CZ2 3.82Å; L765-L1079 HydrophobicContact CD1-CD1 4.38Å; L765-L1079 HydrophobicContact CD1-CD2 3.91Å; L765-L1079 HydrophobicContact CD2-CD2 4.09Å |
| 766 | K | 69.1 | Low | 64.3 | Low | 91 Ų | 91 | 85 Ų | 85 | 40% | 0.396 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 108.8 | 174 | -169.6 | -172.6 | 176 | -167.8 | 0 | 108.9 | F764 E826 | F764-K766 HydrophobicContact CE1-CB 3.93Å; F764-K766 HydrophobicContact CE1-CG 4.48Å; K766-E826 HydrophobicContact CB-CB 4.22Å; K766-E826 VanDerWaalsContact CD-OE2 3.32Å; K766-E826 WeakPolarHBondContact CD-OE2 3.49Å; K766-E826 PolarHBondContact N-O 2.92Å; K766-E826 IonicContact NZ-OE2 3.21Å; K766-E826 PolarHBondContact NZ-OE2 3.41Å; K766-E826 PolarHBondContact O-N 2.74Å |
| 767 | T | 58.6 | Low | 61.3 | Low | 100 Ų | 100 | 89.6 Ų | 89.6 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 115.3 | 171.2 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | L765 T769 | L765-T767 HydrophobicContact CD2-CG2 4Å; T767-T769 PolarHBondContact O-N 2.98Å |
| 768 | R | 49.4 | Very low | 58.3 | Low | 161 Ų | 161 | 92.4 Ų | 92.4 | 61% | 0.608 | 54% | 0.543 | S | S | * | . | trans | -71.1 | 112.3 | 166.5 | -76.9 | -174.2 | -177.5 | -168.3 | 0.6 | 108.4 | T770 E826 | R768-T770 PolarHBondContact O-N 3.34Å; R768-E826 IonicContact CZ-OE1 3.62Å; R768-E826 VanDerWaalsContact CZ-OE1 3.3Å; R768-E826 IonicContact NE-OE1 3.7Å; R768-E826 PolarHBondContact NE-OE1 2.87Å; R768-E826 IonicContact NH2-OE1 3.59Å; R768-E826 PolarHBondContact NH2-OE1 3.46Å | ||
| 769 | T | 39.3 | Very low | 55.3 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 83% | 0.828 | 55% | 0.549 | S | S | * | . | trans | -72.4 | 108 | 166.9 | 38.2 | 0 | 0 | 0 | 0 | 108.7 | T767 A771 | T767-T769 PolarHBondContact O-N 2.98Å; T769-A771 PolarHBondContact O-N 2.88Å | ||
| 770 | T | 39.9 | Very low | 52.6 | Low | 128 Ų | 128 | 97.3 Ų | 97.3 | 79% | 0.785 | 57% | 0.572 | S | S | * | * | trans | -69.8 | 115.6 | 164.8 | 40.2 | 0 | 0 | 0 | 0 | 108.4 | R768 | R768-T770 PolarHBondContact O-N 3.34Š| ||
| 771 | A | 36.9 | Very low | 49.6 | Very low | 94 Ų | 94 | 108.9 Ų | 108.9 | 78% | 0.777 | 62% | 0.616 | S | S | * | * | trans | -67.9 | 141.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | T769 | T769-A771 PolarHBondContact O-N 2.88Š| ||
| 772 | S | 34.2 | Very low | 47.1 | Very low | 119 Ų | 119 | 114.9 Ų | 114.9 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | trans | 80.7 | 104.3 | 175.4 | -151.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 773 | A | 39.2 | Very low | 44.7 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | -72.6 | 138.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 774 | R | 36.1 | Very low | 42.4 | Very low | 242 Ų | 242 | 129 Ų | 129 | 91% | 0.913 | 71% | 0.707 | S | S | * | * | trans | 173.7 | 92.6 | 130.2 | -95.7 | 167.4 | -177.9 | -176.6 | 1.9 | 110.4 | ||||
| 775 | S | 31.5 | Very low | 40.3 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | 177.6 | 133.2 | 141.5 | -81.6 | 0 | 0 | 0 | 0 | 109.8 | A777 | S775-A777 PolarHBondContact O-N 3.4Å; S775-A777 VanDerWaalsContact O-N 3.12Å | ||
| 776 | P | 37.3 | Very low | 38.7 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | -80.2 | 93.9 | 176.3 | 31.9 | -28.7 | 0 | 0 | 0 | 108.9 | L778 | P776-L778 PolarHBondContact O-N 3.03Š| ||
| 777 | A | 32 | Very low | 37.4 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S775 | S775-A777 PolarHBondContact O-N 3.4Å; S775-A777 VanDerWaalsContact O-N 3.12Å |
| 778 | L | 31 | Very low | 36.5 | Very low | 162 Ų | 162 | 132 Ų | 132 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 142.2 | 175 | -87.3 | 107.4 | 0 | 0 | 0 | 111.6 | P776 | P776-L778 PolarHBondContact O-N 3.03Š|
| 779 | P | 32.3 | Very low | 36.1 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 145 | 172.9 | 28.5 | -31.8 | 0 | 0 | 0 | 110.7 | R781 | P779-R781 PolarHBondContact O-N 3.3Š|
| 780 | P | 33.3 | Very low | 36.3 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 134 | -179.9 | 24.7 | -31.4 | 0 | 0 | 0 | 111.1 | Y782 | P780-Y782 PolarHBondContact O-N 3.07Å; P780-Y782 VanDerWaalsContact O-N 3.09Å |
| 781 | R | 30.3 | Very low | 36.3 | Very low | 244 Ų | 244 | 125.6 Ų | 125.6 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | -65.9 | 105 | 172.6 | -79.2 | 178.8 | 170.2 | 173.3 | -3.2 | 109.7 | P779 | P779-R781 PolarHBondContact O-N 3.3Š| ||
| 782 | Y | 36.2 | Very low | 36.6 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 58% | 0.576 | 71% | 0.711 | S | S | * | * | trans | -84.3 | 121.2 | 165.9 | -164.9 | -102.4 | 0 | 0 | 0 | 109.6 | P780 A784 | P780-Y782 PolarHBondContact O-N 3.07Å; P780-Y782 VanDerWaalsContact O-N 3.09Å; Y782-A784 HydrophobicContact CD1-CB 4.45Å; Y782-A784 PolarHBondContact O-N 3.48Å | ||
| 783 | R | 33.1 | Very low | 37.1 | Very low | 232 Ų | 232 | 120.4 Ų | 120.4 | 88% | 0.875 | 69% | 0.687 | S | S | * | * | trans | -86.2 | 91.7 | 174.1 | -158.9 | -176.9 | -132 | 171.9 | 2.7 | 107.6 | S785 | R783-S785 PolarHBondContact O-N 2.89Š| ||
| 784 | A | 34.8 | Very low | 37.4 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | trans | -68.5 | 109.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y782 | Y782-A784 HydrophobicContact CD1-CB 4.45Å; Y782-A784 PolarHBondContact O-N 3.48Å | ||
| 785 | S | 37.4 | Very low | 37.9 | Very low | 99 Ų | 99 | 110.9 Ų | 110.9 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | trans | -152.2 | 48.2 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | R783 | R783-S785 PolarHBondContact O-N 2.89Š| ||
| 786 | T | 40 | Very low | 38.9 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | trans | -144.6 | 123.1 | 159.1 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | I788 | T786-I788 HydrophobicContact CG2-CD1 4.49Å; T786-I788 PolarHBondContact O-N 3.44Å | ||
| 787 | G | 41.6 | Very low | 39.3 | Very low | 96 Ų | 96 | 107.8 Ų | 107.8 | 99% | 0.99 | 60% | 0.601 | S | S | * | * | trans | -72.1 | 53.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 788 | I | 40.3 | Very low | 40.3 | Very low | 83 Ų | 83 | 103.9 Ų | 103.9 | 43% | 0.426 | 57% | 0.567 | S | S | . | * | trans | -99.3 | 143.5 | -177.3 | -64.7 | 173.3 | 0 | 0 | 0 | 109.4 | T786 A792 E793 | T786-I788 HydrophobicContact CG2-CD1 4.49Å; T786-I788 PolarHBondContact O-N 3.44Å; I788-A792 HydrophobicContact CG2-CB 3.34Å; I788-E793 HydrophobicContact CB-CG 4.5Å | ||
| 789 | S | 42.2 | Very low | 41.1 | Very low | 71 Ų | 71 | 97.8 Ų | 97.8 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | trans | -58.6 | 148.2 | -179.2 | 81.5 | 0 | 0 | 0 | 0 | 112.5 | Q791 A792 E793 | S789-Q791 PolarHBondContact O-N 3.27Å; S789-A792 PolarHBondContact O-N 2.83Å; S789-E793 PolarHBondContact O-N 2.88Å; S789-E793 VanDerWaalsContact O-N 3.12Å | ||
| 790 | P | 42.2 | Very low | 41.9 | Very low | 99 Ų | 99 | 96.6 Ų | 96.6 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.4 | -28.8 | -178.7 | -25.2 | 32.3 | 0 | 0 | 0 | 114.4 | L794 | P790-L794 WeakPolarHBondContact O-CB 3.45Å; P790-L794 PolarHBondContact O-N 3.34Å |
| 791 | Q | 41 | Very low | 42.8 | Very low | 121 Ų | 121 | 92.2 Ų | 92.2 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.9 | -38 | 176.2 | -123.2 | 79.2 | -9 | 0 | 0 | 112.3 | S789 H795 | S789-Q791 PolarHBondContact O-N 3.27Å; Q791-H795 PolarHBondContact O-CD2 2.87Å; Q791-H795 PolarHBondContact O-N 3.04Å |
| 792 | A | 42.9 | Very low | 44 | Very low | 34 Ų | 34 | 81.8 Ų | 81.8 | 28% | 0.281 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -80.8 | -32.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I788 S789 H795 H796 | I788-A792 HydrophobicContact CG2-CB 3.34Å; S789-A792 PolarHBondContact O-N 2.83Å; A792-H795 PolarHBondContact O-N 3.4Å; A792-H796 PolarHBondContact O-N 3.36Å |
| 793 | E | 45.1 | Very low | 44.8 | Very low | 69 Ų | 69 | 78.7 Ų | 78.7 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 167.7 | -76.2 | -172.9 | 146.2 | 0 | 0 | 111.5 | I788 S789 H795 H796 L797 | I788-E793 HydrophobicContact CB-CG 4.5Å; S789-E793 PolarHBondContact O-N 2.88Å; S789-E793 VanDerWaalsContact O-N 3.12Å; E793-H795 VanDerWaalsContact C-N 3.33Å; E793-H795 PolarHBondContact O-N 3.12Å; E793-H796 PolarHBondContact O-N 3.19Å; E793-H796 VanDerWaalsContact O-N 3.14Å; E793-L797 HydrophobicContact CB-CD1 4.36Å; E793-L797 WeakPolarHBondContact O-CB 3.25Å; E793-L797 WeakPolarHBondContact O-CD1 3.28Å; E793-L797 VanDerWaalsContact O-CG 3.24Å; E793-L797 WeakPolarHBondContact O-CG 3.42Å; E793-L797 PolarHBondContact O-N 2.87Å |
| 794 | L | 45.3 | Very low | 45.8 | Very low | 28 Ų | 28 | 75.6 Ų | 75.6 | 15% | 0.147 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.3 | -177.3 | 71.6 | 0 | 0 | 0 | 112.7 | P790 H796 L797 I798 K1077 I1080 | P790-L794 WeakPolarHBondContact O-CB 3.45Å; P790-L794 PolarHBondContact O-N 3.34Å; L794-H796 PolarHBondContact O-N 3.33Å; L794-L797 PolarHBondContact O-N 3.5Å; L794-I798 HydrophobicContact CD1-CD1 4.15Å; L794-I798 HydrophobicContact CD1-CG1 4.16Å; L794-I798 HydrophobicContact CD2-CD1 4.49Å; L794-I798 HydrophobicContact CG-CD1 3.92Å; L794-I798 HydrophobicContact CG-CG1 4.32Å; L794-I798 VanDerWaalsContact O-CG1 3.28Å; L794-I798 WeakPolarHBondContact O-CG1 3.29Å; L794-I798 PolarHBondContact O-N 2.76Å; L794-I798 VanDerWaalsContact O-N 3.16Å; L794-K1077 HydrophobicContact CD1-CG 3.98Å; L794-K1077 HydrophobicContact CD2-CD 3.86Å; L794-K1077 HydrophobicContact CD2-CG 3.5Å; L794-K1077 VanDerWaalsContact CD2-CG 3.5Å; L794-K1077 HydrophobicContact CG-CG 4.37Å; L794-I1080 HydrophobicContact CD1-CD1 3.42Å; L794-I1080 VanDerWaalsContact CD1-CD1 3.42Å |
| 795 | H | 46.9 | Very low | 46.6 | Very low | 103 Ų | 103 | 73.1 Ų | 73.1 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -30.9 | 175.9 | -88.8 | -65.8 | 0 | 0 | 0 | 112.8 | Q791 A792 E793 P799 | Q791-H795 PolarHBondContact O-CD2 2.87Å; Q791-H795 PolarHBondContact O-N 3.04Å; A792-H795 PolarHBondContact O-N 3.4Å; E793-H795 VanDerWaalsContact C-N 3.33Å; E793-H795 PolarHBondContact O-N 3.12Å; H795-P799 VanDerWaalsContact O-CD 3.31Å; H795-P799 WeakPolarHBondContact O-CD 3.36Å |
| 796 | H | 50.8 | Low | 47.2 | Very low | 132 Ų | 132 | 70.7 Ų | 70.7 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -81 | -32.1 | 173.5 | -96.9 | -75.8 | 0 | 0 | 0 | 113.9 | A792 E793 L794 | A792-H796 PolarHBondContact O-N 3.36Å; E793-H796 PolarHBondContact O-N 3.19Å; E793-H796 VanDerWaalsContact O-N 3.14Å; L794-H796 PolarHBondContact O-N 3.33Å |
| 797 | L | 46.8 | Very low | 47.5 | Very low | 47 Ų | 47 | 72 Ų | 72 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.9 | -33.7 | -176.1 | -76.9 | 162 | 0 | 0 | 0 | 113.5 | E793 L794 Q800 I801 | E793-L797 HydrophobicContact CB-CD1 4.36Å; E793-L797 WeakPolarHBondContact O-CB 3.25Å; E793-L797 WeakPolarHBondContact O-CD1 3.28Å; E793-L797 VanDerWaalsContact O-CG 3.24Å; E793-L797 WeakPolarHBondContact O-CG 3.42Å; E793-L797 PolarHBondContact O-N 2.87Å; L794-L797 PolarHBondContact O-N 3.5Å; L797-Q800 PolarHBondContact O-N 3.03Å; L797-I801 HydrophobicContact CB-CD1 4.31Å; L797-I801 WeakPolarHBondContact O-CD1 3.34Å; L797-I801 VanDerWaalsContact O-CG1 3.28Å; L797-I801 WeakPolarHBondContact O-CG1 3.45Å; L797-I801 PolarHBondContact O-N 3.39Å |
| 798 | I | 51.9 | Low | 47.6 | Very low | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -49.2 | -177 | -70.2 | 171.2 | 0 | 0 | 0 | 112.7 | L794 Q800 I801 Y802 F1076 | L794-I798 HydrophobicContact CD1-CD1 4.15Å; L794-I798 HydrophobicContact CD1-CG1 4.16Å; L794-I798 HydrophobicContact CD2-CD1 4.49Å; L794-I798 HydrophobicContact CG-CD1 3.92Å; L794-I798 HydrophobicContact CG-CG1 4.32Å; L794-I798 VanDerWaalsContact O-CG1 3.28Å; L794-I798 WeakPolarHBondContact O-CG1 3.29Å; L794-I798 PolarHBondContact O-N 2.76Å; L794-I798 VanDerWaalsContact O-N 3.16Å; I798-Q800 VanDerWaalsContact C-N 3.31Å; I798-Q800 PolarHBondContact O-N 3.46Å; I798-I801 PolarHBondContact O-N 3.46Å; I798-Y802 PolarHBondContact O-N 3.44Å; I798-Y802 VanDerWaalsContact O-N 3.1Å; I798-F1076 HydrophobicContact CD1-CB 3.9Å; I798-F1076 HydrophobicContact CD1-CG 4.48Å; I798-F1076 HydrophobicContact CG1-CB 3.87Å; I798-F1076 HydrophobicContact CG1-CG 4.28Å; I798-F1076 HydrophobicContact CG2-CB 4.2Å; I798-F1076 HydrophobicContact CG2-CD1 3.85Å; I798-F1076 HydrophobicContact CG2-CD2 3.77Å; I798-F1076 HydrophobicContact CG2-CE1 4.1Å; I798-F1076 HydrophobicContact CG2-CE2 4.06Å; I798-F1076 HydrophobicContact CG2-CG 3.67Å; I798-F1076 HydrophobicContact CG2-CZ 4.21Å |
| 799 | P | 48.2 | Very low | 47.7 | Very low | 33 Ų | 33 | 68.5 Ų | 68.5 | 21% | 0.214 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 175.3 | -23.6 | 34.2 | 0 | 0 | 0 | 112.9 | H795 Y802 Q803 E996 | H795-P799 VanDerWaalsContact O-CD 3.31Å; H795-P799 WeakPolarHBondContact O-CD 3.36Å; P799-Y802 PolarHBondContact O-N 3.41Å; P799-Q803 WeakPolarHBondContact O-CB 3.09Å; P799-Q803 WeakPolarHBondContact O-CG 3.3Å; P799-Q803 PolarHBondContact O-N 3.29Å; P799-E996 HydrophobicContact CB-CG 4.44Å; P799-E996 HydrophobicContact CG-CG 4.36Å |
| 800 | Q | 49.2 | Very low | 47.7 | Very low | 81 Ų | 81 | 68.3 Ų | 68.3 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 180 | -66.5 | -178.7 | -3 | 0 | 0 | 112.8 | L797 I798 R804 | L797-Q800 PolarHBondContact O-N 3.03Å; I798-Q800 VanDerWaalsContact C-N 3.31Å; I798-Q800 PolarHBondContact O-N 3.46Å; Q800-R804 WeakPolarHBondContact O-CB 3.33Å; Q800-R804 VanDerWaalsContact O-CG 3.26Å; Q800-R804 WeakPolarHBondContact O-CG 3.3Å; Q800-R804 PolarHBondContact O-N 3.22Å |
| 801 | I | 53.3 | Low | 47.7 | Very low | 32 Ų | 32 | 69.5 Ų | 69.5 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 175.6 | -68 | 161.4 | 0 | 0 | 0 | 110.4 | L797 I798 R804 M805 I1080 | L797-I801 HydrophobicContact CB-CD1 4.31Å; L797-I801 WeakPolarHBondContact O-CD1 3.34Å; L797-I801 VanDerWaalsContact O-CG1 3.28Å; L797-I801 WeakPolarHBondContact O-CG1 3.45Å; L797-I801 PolarHBondContact O-N 3.39Å; I798-I801 PolarHBondContact O-N 3.46Å; I801-R804 PolarHBondContact O-N 3.14Å; I801-M805 HydrophobicContact CG2-SD 4.4Å; I801-M805 WeakPolarHBondContact O-CG 3.3Å; I801-M805 PolarHBondContact O-N 2.9Å; I801-I1080 HydrophobicContact CD1-CD1 3.84Å; I801-I1080 HydrophobicContact CD1-CG1 3.48Å; I801-I1080 VanDerWaalsContact CD1-CG1 3.48Å |
| 802 | Y | 54.9 | Low | 47.8 | Very low | 26 Ų | 26 | 66.9 Ų | 66.9 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.3 | -47 | 174.9 | 173.2 | -101.7 | 0 | 0 | 0 | 112.3 | I798 P799 R804 M805 R806 L830 V989 | I798-Y802 PolarHBondContact O-N 3.44Å; I798-Y802 VanDerWaalsContact O-N 3.1Å; P799-Y802 PolarHBondContact O-N 3.41Å; Y802-R804 PolarHBondContact O-N 3.5Å; Y802-M805 PolarHBondContact O-N 2.87Å; Y802-R806 PolarHBondContact O-N 3.21Å; Y802-L830 HydrophobicContact CD2-CD1 4.18Å; Y802-L830 HydrophobicContact CE2-CD1 3.91Å; Y802-V989 HydrophobicContact CD1-CG1 4.33Å; Y802-V989 HydrophobicContact CE1-CB 4.26Å; Y802-V989 HydrophobicContact CE1-CG1 3.59Å; Y802-V989 HydrophobicContact CE1-CG2 3.96Å |
| 803 | Q | 53.2 | Low | 47.7 | Very low | 82 Ų | 82 | 73.5 Ų | 73.5 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.8 | -37.9 | 173.5 | -76.8 | 177.6 | -15.1 | 0 | 0 | 111.5 | P799 R806 R807 | P799-Q803 WeakPolarHBondContact O-CB 3.09Å; P799-Q803 WeakPolarHBondContact O-CG 3.3Å; P799-Q803 PolarHBondContact O-N 3.29Å; Q803-R806 PolarHBondContact O-N 2.84Å; Q803-R807 WeakPolarHBondContact O-CG 3.36Å; Q803-R807 PolarHBondContact O-N 3.01Å |
| 804 | R | 53.7 | Low | 47.4 | Very low | 167 Ų | 167 | 78 Ų | 78 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -69.5 | -43.6 | 174.5 | -76.5 | 177.2 | -171.1 | 177.9 | 4.4 | 113.6 | Q800 I801 Y802 R806 R807 S808 | Q800-R804 WeakPolarHBondContact O-CB 3.33Å; Q800-R804 VanDerWaalsContact O-CG 3.26Å; Q800-R804 WeakPolarHBondContact O-CG 3.3Å; Q800-R804 PolarHBondContact O-N 3.22Å; I801-R804 PolarHBondContact O-N 3.14Å; Y802-R804 PolarHBondContact O-N 3.5Å; R804-R806 PolarHBondContact O-N 2.83Å; R804-R807 PolarHBondContact O-N 3.32Å; R804-S808 WeakPolarHBondContact O-CB 3Å; R804-S808 PolarHBondContact O-N 3.36Å; R804-S808 VanDerWaalsContact O-N 3.17Å |
| 805 | M | 52 | Low | 47 | Very low | 30 Ų | 30 | 79 Ų | 79 | 15% | 0.148 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.2 | -35 | 175.1 | -78.3 | -179.7 | 154.9 | 0 | 0 | 111.3 | L765 I801 Y802 V825 L1079 | L765-M805 HydrophobicContact CD1-CE 4.14Å; I801-M805 HydrophobicContact CG2-SD 4.4Å; I801-M805 WeakPolarHBondContact O-CG 3.3Å; I801-M805 PolarHBondContact O-N 2.9Å; Y802-M805 PolarHBondContact O-N 2.87Å; M805-V825 HydrophobicContact CE-CB 4.06Å; M805-V825 HydrophobicContact CE-CG1 3.8Å; M805-V825 HydrophobicContact CE-CG2 4.45Å; M805-L1079 HydrophobicContact CE-CD1 4.1Å; M805-L1079 HydrophobicContact CE-CD2 4.25Å |
| 806 | R | 49.1 | Very low | 46.7 | Very low | 47 Ų | 47 | 78.7 Ų | 78.7 | 18% | 0.177 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -81.1 | -42.7 | 178.8 | -174.3 | -177.5 | 178.5 | 144.2 | 2 | 114.7 | Y802 Q803 R804 S808 L809 E810 V988 | Y802-R806 PolarHBondContact O-N 3.21Å; Q803-R806 PolarHBondContact O-N 2.84Å; R804-R806 PolarHBondContact O-N 2.83Å; R806-S808 PolarHBondContact O-N 2.88Å; R806-L809 WeakPolarHBondContact O-CA 3.32Å; R806-L809 WeakPolarHBondContact O-CB 3.4Å; R806-L809 PolarHBondContact O-N 3.45Å; R806-E810 IonicContact CZ-OE1 3.64Å; R806-E810 IonicContact NE-OE1 3.91Å; R806-E810 PolarHBondContact NE-OE1 3.33Å; R806-E810 IonicContact NH2-OE1 3.61Å; R806-E810 PolarHBondContact O-N 3.31Å; R806-E810 VanDerWaalsContact O-N 3.08Å; R806-V988 VanDerWaalsContact NH1-C 3.28Å; R806-V988 PolarHBondContact NH1-O 3.32Å |
| 807 | R | 45.9 | Very low | 46.1 | Very low | 117 Ų | 117 | 75.3 Ų | 75.3 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.3 | -39.2 | 174.5 | -75.2 | 176.7 | -168 | -179 | -0.7 | 111.2 | Q803 R804 L809 E810 D811 | Q803-R807 WeakPolarHBondContact O-CG 3.36Å; Q803-R807 PolarHBondContact O-N 3.01Å; R804-R807 PolarHBondContact O-N 3.32Å; R807-L809 PolarHBondContact O-N 2.85Å; R807-E810 PolarHBondContact O-N 2.96Å; R807-D811 WeakPolarHBondContact O-CB 3.49Å; R807-D811 PolarHBondContact O-N 3.13Å |
| 808 | S | 44.7 | Very low | 45.5 | Very low | 35 Ų | 35 | 82.5 Ų | 82.5 | 25% | 0.245 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.6 | -18.3 | 173.2 | -171.2 | 0 | 0 | 0 | 0 | 114.9 | R804 R806 A824 | R804-S808 WeakPolarHBondContact O-CB 3Å; R804-S808 PolarHBondContact O-N 3.36Å; R804-S808 VanDerWaalsContact O-N 3.17Å; R806-S808 PolarHBondContact O-N 2.88Å; S808-A824 WeakPolarHBondContact OG-CA 3.45Å; S808-A824 WeakPolarHBondContact OG-CB 3.48Å |
| 809 | L | 43.2 | Very low | 45 | Very low | 71 Ų | 71 | 91.7 Ų | 91.7 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -87.3 | -38 | 177 | -112.5 | 148.5 | 0 | 0 | 0 | 110.8 | R806 R807 E826 | R806-L809 WeakPolarHBondContact O-CA 3.32Å; R806-L809 WeakPolarHBondContact O-CB 3.4Å; R806-L809 PolarHBondContact O-N 3.45Å; R807-L809 PolarHBondContact O-N 2.85Å; L809-E826 HydrophobicContact CD2-CG 4.17Å; L809-E826 HydrophobicContact CG-CG 4.38Å |
| 810 | E | 40.9 | Very low | 44.4 | Very low | 68 Ų | 68 | 95.3 Ų | 95.3 | 32% | 0.318 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -79 | -36.2 | 179.6 | -70.1 | 175.5 | -174 | 0 | 0 | 112.6 | R806 R807 G812 E813 | R806-E810 IonicContact CZ-OE1 3.64Å; R806-E810 IonicContact NE-OE1 3.91Å; R806-E810 PolarHBondContact NE-OE1 3.33Å; R806-E810 IonicContact NH2-OE1 3.61Å; R806-E810 PolarHBondContact O-N 3.31Å; R806-E810 VanDerWaalsContact O-N 3.08Å; R807-E810 PolarHBondContact O-N 2.96Å; E810-G812 PolarHBondContact O-N 2.99Å; E810-E813 PolarHBondContact O-N 2.97Å; E810-E813 VanDerWaalsContact O-N 3.14Å |
| 811 | D | 43.3 | Very low | 44 | Very low | 124 Ų | 124 | 95.3 Ų | 95.3 | 66% | 0.663 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -24.9 | 173.8 | -69.8 | -26.4 | 0 | 0 | 0 | 112.3 | R807 | R807-D811 WeakPolarHBondContact O-CB 3.49Å; R807-D811 PolarHBondContact O-N 3.13Å |
| 812 | G | 42.6 | Very low | 43.5 | Very low | 66 Ų | 66 | 102.5 Ų | 102.5 | 68% | 0.68 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -76.9 | -14.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E810 | E810-G812 PolarHBondContact O-N 2.99Å |
| 813 | E | 40 | Very low | 42.8 | Very low | 172 Ų | 172 | 106.4 Ų | 106.4 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -99.9 | -15.4 | 179.3 | -72.8 | -169.8 | 159.7 | 0 | 0 | 113.5 | E810 | E810-E813 PolarHBondContact O-N 2.97Å; E810-E813 VanDerWaalsContact O-N 3.14Å |
| 814 | L | 40 | Very low | 42.3 | Very low | 163 Ų | 163 | 103.7 Ų | 103.7 | 85% | 0.853 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -116.6 | -5.9 | -175.2 | -77.7 | 161.8 | 0 | 0 | 0 | 115.4 | ||
| 815 | G | 35.8 | Very low | 42.4 | Very low | 50 Ų | 50 | 97.2 Ų | 97.2 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | trans | -119.6 | 86.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G817 | G815-G817 PolarHBondContact O-N 2.91Å; G815-G817 VanDerWaalsContact O-N 3.11Å | ||
| 816 | G | 40.6 | Very low | 42.8 | Very low | 97 Ų | 97 | 96.7 Ų | 96.7 | 100% | 1 | 57% | 0.566 | S | S | * | * | trans | -75.6 | 76.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 817 | G | 38.3 | Very low | 43.6 | Very low | 61 Ų | 61 | 95.9 Ų | 95.9 | 63% | 0.629 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 166.3 | 119.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G815 | G815-G817 PolarHBondContact O-N 2.91Å; G815-G817 VanDerWaalsContact O-N 3.11Å |
| 818 | E | 35.1 | Very low | 45.1 | Very low | 197 Ų | 197 | 94.6 Ų | 94.6 | 92% | 0.921 | 57% | 0.565 | S | S | * | * | trans | 73.4 | 112.8 | 171.9 | -68.2 | -175.2 | 157.3 | 0 | 0 | 119 | D820 | E818-D820 PolarHBondContact O-N 2.79Å; E818-D820 VanDerWaalsContact O-N 3.15Å | ||
| 819 | E | 42.1 | Very low | 46.8 | Very low | 206 Ų | 206 | 93.2 Ų | 93.2 | 96% | 0.963 | 56% | 0.556 | S | S | * | * | trans | -62.2 | 99.3 | 171.2 | -66.2 | 178.3 | 136.4 | 0 | 0 | 111.5 | ||||
| 820 | D | 34 | Very low | 48.5 | Very low | 109 Ų | 109 | 90.4 Ų | 90.4 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | trans | -99 | 108.6 | 153.9 | -159.9 | 3.9 | 0 | 0 | 0 | 108 | E818 R822 | E818-D820 PolarHBondContact O-N 2.79Å; E818-D820 VanDerWaalsContact O-N 3.15Å; D820-R822 PolarHBondContact O-N 2.94Å; D820-R822 IonicContact OD1-NE 2.72Å; D820-R822 IonicContact OD2-CZ 3.34Å; D820-R822 IonicContact OD2-NE 3.68Å; D820-R822 PolarHBondContact OD2-NE 3.25Å; D820-R822 IonicContact OD2-NH2 3.54Å; D820-R822 PolarHBondContact OD2-NH2 3.3Å | ||
| 821 | G | 42.1 | Very low | 50.4 | Low | 81 Ų | 81 | 88.3 Ų | 88.3 | 84% | 0.835 | 54% | 0.537 | S | S | * | . | trans | -68.8 | 61.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 822 | R | 41.7 | Very low | 52.6 | Low | 183 Ų | 183 | 82.4 Ų | 82.4 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | trans | -110.2 | 132 | 178.1 | -57.9 | -175 | -164.4 | -178.2 | 8.3 | 111 | D820 A824 | D820-R822 PolarHBondContact O-N 2.94Å; D820-R822 IonicContact OD1-NE 2.72Å; D820-R822 IonicContact OD2-CZ 3.34Å; D820-R822 IonicContact OD2-NE 3.68Å; D820-R822 PolarHBondContact OD2-NE 3.25Å; D820-R822 IonicContact OD2-NH2 3.54Å; D820-R822 PolarHBondContact OD2-NH2 3.3Å; R822-A824 PolarHBondContact O-N 3.38Å; R822-A824 VanDerWaalsContact O-N 3.14Å | ||
| 823 | P | 40.8 | Very low | 54.8 | Low | 109 Ų | 109 | 79.2 Ų | 79.2 | 71% | 0.708 | 47% | 0.473 | S | S | * | . | trans | -71.5 | 108.9 | -179.8 | 26.9 | -31.9 | 0 | 0 | 0 | 111.2 | ||||
| 824 | A | 42.9 | Very low | 57.3 | Low | 24 Ų | 24 | 71.1 Ų | 71.1 | 20% | 0.198 | 44% | 0.435 | C | S | . | . | trans | -74 | 129.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S808 R822 | S808-A824 WeakPolarHBondContact OG-CA 3.45Å; S808-A824 WeakPolarHBondContact OG-CB 3.48Å; R822-A824 PolarHBondContact O-N 3.38Å; R822-A824 VanDerWaalsContact O-N 3.14Å | ||
| 825 | V | 55.2 | Low | 59.9 | Low | 32 Ų | 32 | 63.3 Ų | 63.3 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113.3 | -178.5 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | L765 M805 | L765-V825 HydrophobicContact CD1-CG1 3.43Å; L765-V825 VanDerWaalsContact CD1-CG1 3.43Å; L765-V825 HydrophobicContact CD2-CG1 3.64Å; L765-V825 HydrophobicContact CG-CG1 3.43Å; L765-V825 VanDerWaalsContact CG-CG1 3.43Å; M805-V825 HydrophobicContact CE-CB 4.06Å; M805-V825 HydrophobicContact CE-CG1 3.8Å; M805-V825 HydrophobicContact CE-CG2 4.45Å |
| 826 | E | 59.8 | Low | 62.6 | Low | 19 Ų | 19 | 61 Ų | 61 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 127.1 | 178.7 | -63.5 | 168.6 | -163.4 | 0 | 0 | 109.8 | K766 R768 L809 Y828 | K766-E826 HydrophobicContact CB-CB 4.22Å; K766-E826 VanDerWaalsContact CD-OE2 3.32Å; K766-E826 WeakPolarHBondContact CD-OE2 3.49Å; K766-E826 PolarHBondContact N-O 2.92Å; K766-E826 IonicContact NZ-OE2 3.21Å; K766-E826 PolarHBondContact NZ-OE2 3.41Å; K766-E826 PolarHBondContact O-N 2.74Å; R768-E826 IonicContact CZ-OE1 3.62Å; R768-E826 VanDerWaalsContact CZ-OE1 3.3Å; R768-E826 IonicContact NE-OE1 3.7Å; R768-E826 PolarHBondContact NE-OE1 2.87Å; R768-E826 IonicContact NH2-OE1 3.59Å; R768-E826 PolarHBondContact NH2-OE1 3.46Å; L809-E826 HydrophobicContact CD2-CG 4.17Å; L809-E826 HydrophobicContact CG-CG 4.38Å; E826-Y828 HydrophobicContact CB-CE2 4.19Å; E826-Y828 PolarHBondContact OE2-OH 3.28Å |
| 827 | A | 67.5 | Low | 65.2 | Low | 29 Ų | 29 | 56.3 Ų | 56.3 | 24% | 0.24 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F764 L765 L830 | F764-A827 CarbonylContact O-C 3.6Å; F764-A827 VanDerWaalsContact O-CA 3.29Å; F764-A827 WeakPolarHBondContact O-CA 3.33Å; L765-A827 HydrophobicContact CD1-CB 4.37Å; A827-L830 HydrophobicContact CB-CD1 3.5Å; A827-L830 VanDerWaalsContact CB-CD1 3.5Å; A827-L830 HydrophobicContact CB-CG 4.35Å |
| 828 | Y | 76.6 | Confident | 68 | Low | 91 Ų | 91 | 53.5 Ų | 53.5 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 151.5 | -178.2 | -61.6 | -91.9 | 0 | 0 | 0 | 111.4 | V763 F764 E826 L830 | V763-Y828 WeakPolarHBondContact CA-O 3.3Å; F764-Y828 HydrophobicContact CD1-CD2 4.02Å; F764-Y828 PolarHBondContact N-O 3.42Å; F764-Y828 PolarHBondContact O-N 3.28Å; E826-Y828 HydrophobicContact CB-CE2 4.19Å; E826-Y828 PolarHBondContact OE2-OH 3.28Å; Y828-L830 VanDerWaalsContact C-N 3.32Å; Y828-L830 PolarHBondContact O-N 3.42Å |
| 829 | G | 79.6 | Confident | 70.8 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 82.5 | -3.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y689 G831 T832 V833 | Y689-G829 WeakPolarHBondContact O-CA 3.45Å; Y689-G829 PolarHBondContact O-N 3.28Å; G829-G831 VanDerWaalsContact C-N 3.3Å; G829-G831 PolarHBondContact O-N 3.17Å; G829-T832 PolarHBondContact O-N 3.5Å; G829-V833 PolarHBondContact O-N 3.45Å |
| 830 | L | 80.1 | Confident | 73.4 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -65.8 | -29.5 | -179.7 | -77.8 | 170.9 | 0 | 0 | 0 | 113.7 | V763 Y802 A827 Y828 T832 M992 W1075 F1076 | V763-L830 HydrophobicContact CG1-CD2 3.81Å; V763-L830 HydrophobicContact CG1-CG 3.84Å; V763-L830 HydrophobicContact CG2-CD2 3.87Å; V763-L830 HydrophobicContact CG2-CG 4.32Å; Y802-L830 HydrophobicContact CD2-CD1 4.18Å; Y802-L830 HydrophobicContact CE2-CD1 3.91Å; A827-L830 HydrophobicContact CB-CD1 3.5Å; A827-L830 VanDerWaalsContact CB-CD1 3.5Å; A827-L830 HydrophobicContact CB-CG 4.35Å; Y828-L830 VanDerWaalsContact C-N 3.32Å; Y828-L830 PolarHBondContact O-N 3.42Å; L830-T832 PolarHBondContact O-N 3.36Å; L830-M992 HydrophobicContact CD2-SD 4.35Å; L830-M992 WeakPolarHBondContact O-CG 3.38Å; L830-W1075 HydrophobicContact CD1-CH2 4.34Å; L830-W1075 HydrophobicContact CD2-CH2 4.12Å; L830-W1075 HydrophobicContact CD2-CZ3 3.93Å; L830-F1076 HydrophobicContact CD2-CZ 4.46Å |
| 831 | G | 79.8 | Confident | 76.4 | Confident | 23 Ų | 23 | 31 Ų | 31 | 24% | 0.237 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -70.2 | -17.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G829 E991 | G829-G831 VanDerWaalsContact C-N 3.3Å; G829-G831 PolarHBondContact O-N 3.17Å; G831-E991 WeakPolarHBondContact O-CG 3.29Å |
| 832 | T | 89.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -130.3 | 31.9 | -176.9 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | W685 Y689 N691 G829 L830 Y834 S835 A836 V969 E991 | W685-T832 HydrophobicContact CH2-CG2 3.7Å; W685-T832 HydrophobicContact CZ2-CG2 4.16Å; Y689-T832 HydrophobicContact CD1-CG2 3.57Å; Y689-T832 HydrophobicContact CD2-CG2 3.85Å; Y689-T832 HydrophobicContact CE1-CG2 4Å; Y689-T832 HydrophobicContact CE2-CG2 4.26Å; Y689-T832 HydrophobicContact CG-CG2 3.49Å; Y689-T832 VanDerWaalsContact CG-CG2 3.49Å; N691-T832 PolarHBondContact ND2-OG1 3.01Å; N691-T832 PolarHBondContact OD1-OG1 2.68Å; N691-T832 VanDerWaalsContact OD1-OG1 3.13Å; G829-T832 PolarHBondContact O-N 3.5Å; L830-T832 PolarHBondContact O-N 3.36Å; T832-Y834 PolarHBondContact O-N 2.8Å; T832-S835 WeakPolarHBondContact CB-OG 3.34Å; T832-S835 PolarHBondContact O-N 3.24Å; T832-A836 WeakPolarHBondContact O-CB 3.35Å; T832-A836 PolarHBondContact O-N 3.29Å; T832-V969 HydrophobicContact CG2-CG1 4.1Å; T832-V969 HydrophobicContact CG2-CG2 4.19Å; T832-E991 WeakPolarHBondContact CA-OE2 3.4Å |
| 833 | V | 89.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.2 | -169.4 | 72 | 0 | 0 | 0 | 0 | 113.7 | V763 G829 P837 E991 M992 V1068 V1072 | V763-V833 HydrophobicContact CG2-CG2 3.84Å; G829-V833 PolarHBondContact O-N 3.45Å; V833-P837 VanDerWaalsContact O-CD 3.31Å; V833-P837 WeakPolarHBondContact O-CD 3.41Å; V833-P837 WeakPolarHBondContact O-CG 3.38Å; V833-E991 PolarHBondContact N-OE2 3.07Å; V833-M992 HydrophobicContact CG1-SD 3.89Å; V833-V1068 HydrophobicContact CG2-CG1 4.49Å; V833-V1068 VanDerWaalsContact O-CG1 3.28Å; V833-V1068 WeakPolarHBondContact O-CG1 3.5Å; V833-V1072 HydrophobicContact CG2-CG2 3.31Å |
| 834 | Y | 93.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -41.8 | 176.3 | -57.8 | -76 | 0 | 0 | 0 | 112.4 | T832 L838 F965 E991 L994 F1001 V1065 V1068 D1069 | T832-Y834 PolarHBondContact O-N 2.8Å; Y834-L838 WeakPolarHBondContact O-CB 3.44Å; Y834-F965 HydrophobicContact CG-CE1 4.36Å; Y834-F965 HydrophobicContact CG-CZ 4.28Å; Y834-E991 WeakPolarHBondContact CA-OE2 3.42Å; Y834-E991 WeakPolarHBondContact CB-OE2 3.4Å; Y834-E991 HydrophobicContact CD2-CB 4.14Å; Y834-E991 PolarHBondContact N-OE2 3.33Å; Y834-L994 HydrophobicContact CD2-CD1 4.28Å; Y834-L994 HydrophobicContact CE2-CB 4.48Å; Y834-L994 HydrophobicContact CE2-CD1 4.4Å; Y834-F1001 HydrophobicContact CD1-CZ 4.46Å; Y834-F1001 AromaticContact CE1-CE1 3.97Å; Y834-F1001 HydrophobicContact CE1-CE1 3.97Å; Y834-F1001 HydrophobicContact CE1-CZ 4.26Å; Y834-F1001 HydrophobicContact CE2-CE1 4.18Å; Y834-F1001 AromaticContact CZ-CE1 3.74Å; Y834-V1065 HydrophobicContact CD1-CG1 4.34Å; Y834-V1068 HydrophobicContact CD1-CB 4.02Å; Y834-V1068 HydrophobicContact CD1-CG1 3.56Å; Y834-V1068 HydrophobicContact CE1-CB 4.38Å; Y834-V1068 HydrophobicContact CE1-CG1 3.92Å; Y834-V1068 HydrophobicContact CG-CG1 4.39Å; Y834-D1069 HydrophobicContact CE1-CB 4.02Å; Y834-D1069 PolarHBondContact OH-OD1 3.22Å |
| 835 | S | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.9 | -38 | -177.7 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | T832 L838 L839 E991 | T832-S835 WeakPolarHBondContact CB-OG 3.34Å; T832-S835 PolarHBondContact O-N 3.24Å; S835-L838 PolarHBondContact O-N 2.96Å; S835-L839 WeakPolarHBondContact O-CB 3.41Å; S835-L839 WeakPolarHBondContact O-CG 3.43Å; S835-L839 PolarHBondContact O-N 2.82Å; S835-E991 WeakPolarHBondContact CB-OE1 3.49Å; S835-E991 PolarHBondContact N-OE1 3.26Å; S835-E991 PolarHBondContact N-OE2 3.45Å; S835-E991 PolarHBondContact OG-OE1 3.29Å |
| 836 | A | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.2 | -53.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W685 L686 N691 T762 T832 L838 L839 L840 | W685-A836 HydrophobicContact CZ3-CB 4.03Å; L686-A836 HydrophobicContact CD2-CB 3.75Å; N691-A836 HydrophobicContact CB-CB 4.19Å; N691-A836 VanDerWaalsContact CG-CB 3.44Å; N691-A836 WeakPolarHBondContact OD1-CB 3.43Å; T762-A836 HydrophobicContact CG2-CB 4.3Å; T832-A836 WeakPolarHBondContact O-CB 3.35Å; T832-A836 PolarHBondContact O-N 3.29Å; A836-L838 VanDerWaalsContact C-N 3.28Å; A836-L838 PolarHBondContact O-N 2.85Å; A836-L839 PolarHBondContact O-N 3.32Å; A836-L840 PolarHBondContact O-N 3.45Å |
| 837 | P | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.7 | -32.8 | 176.9 | 23.7 | -33.1 | 0 | 0 | 0 | 112.5 | T698 I756 P760 V833 H841 V1068 | T698-P837 HydrophobicContact CG2-CB 4.49Å; I756-P837 HydrophobicContact CG2-CB 4.48Å; P760-P837 WeakPolarHBondContact O-CB 3.16Å; V833-P837 VanDerWaalsContact O-CD 3.31Å; V833-P837 WeakPolarHBondContact O-CD 3.41Å; V833-P837 WeakPolarHBondContact O-CG 3.38Å; P837-H841 WeakPolarHBondContact O-CB 3.29Å; P837-H841 PolarHBondContact O-N 2.9Å; P837-V1068 HydrophobicContact CB-CG2 4.26Å; P837-V1068 HydrophobicContact CG-CG1 4.43Å; P837-V1068 HydrophobicContact CG-CG2 3.68Å |
| 838 | L | 95.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -69.6 | -44.3 | 177.9 | -172.2 | 59.6 | 0 | 0 | 0 | 112.1 | Y834 S835 A836 H841 C842 V958 P961 L962 F965 L1064 V1065 | Y834-L838 WeakPolarHBondContact O-CB 3.44Å; S835-L838 PolarHBondContact O-N 2.96Å; A836-L838 VanDerWaalsContact C-N 3.28Å; A836-L838 PolarHBondContact O-N 2.85Å; L838-H841 WeakPolarHBondContact O-CB 3.45Å; L838-H841 PolarHBondContact O-N 3.15Å; L838-C842 PolarHBondContact O-N 3.09Å; L838-C842 PolarHBondContact O-SG 2.89Å; L838-V958 HydrophobicContact CD1-CG1 4.03Å; L838-P961 HydrophobicContact CD2-CB 3.85Å; L838-P961 HydrophobicContact CD2-CG 4.23Å; L838-L962 HydrophobicContact CB-CD2 4.22Å; L838-L962 HydrophobicContact CD2-CD2 3.77Å; L838-L962 HydrophobicContact CD2-CG 3.74Å; L838-L962 HydrophobicContact CG-CD2 4.1Å; L838-L962 HydrophobicContact CG-CG 4.21Å; L838-F965 HydrophobicContact CD2-CE2 4.18Å; L838-L1064 HydrophobicContact CD1-CD2 3.99Å; L838-V1065 HydrophobicContact CD2-CG2 4.35Å |
| 839 | L | 95.4 | Very high | 92.8 | Very high | 29 Ų | 29 | 7 Ų | 7 | 15% | 0.152 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 174.3 | -78.9 | 173.4 | 0 | 0 | 0 | 112.1 | L682 W685 S835 A836 H841 C842 G843 L962 W966 | L682-L839 HydrophobicContact CD1-CB 4.01Å; W685-L839 HydrophobicContact CD2-CD1 3.79Å; W685-L839 HydrophobicContact CE3-CD1 3.59Å; W685-L839 HydrophobicContact CH2-CD1 3.52Å; W685-L839 HydrophobicContact CZ2-CD1 3.68Å; W685-L839 HydrophobicContact CZ3-CD1 3.48Å; W685-L839 VanDerWaalsContact CZ3-CD1 3.48Å; S835-L839 WeakPolarHBondContact O-CB 3.41Å; S835-L839 WeakPolarHBondContact O-CG 3.43Å; S835-L839 PolarHBondContact O-N 2.82Å; A836-L839 PolarHBondContact O-N 3.32Å; L839-H841 VanDerWaalsContact C-N 3.33Å; L839-C842 PolarHBondContact O-N 3.33Å; L839-G843 PolarHBondContact O-N 3.12Å; L839-L962 HydrophobicContact CD2-CD1 3.74Å; L839-L962 HydrophobicContact CD2-CD2 4.28Å; L839-L962 HydrophobicContact CG-CD1 4.39Å; L839-L962 HydrophobicContact CG-CD2 4.07Å; L839-W966 HydrophobicContact CD1-CH2 3.93Å; L839-W966 HydrophobicContact CD1-CZ3 3.81Å; L839-W966 HydrophobicContact CD2-CH2 4.36Å; L839-W966 HydrophobicContact CD2-CZ3 4.19Å; L839-W966 HydrophobicContact CG-CZ3 4.29Å |
| 840 | L | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 176.6 | -176.7 | 64.6 | 0 | 0 | 0 | 111.5 | L682 L686 T698 A701 A702 L706 I756 A836 G843 L844 | L682-L840 HydrophobicContact CD2-CD1 4.2Å; L686-L840 HydrophobicContact CD1-CD1 4.2Å; T698-L840 HydrophobicContact CG2-CD2 3.66Å; T698-L840 VanDerWaalsContact O-CD2 3.3Å; T698-L840 WeakPolarHBondContact O-CD2 3.42Å; A701-L840 HydrophobicContact CB-CD2 4.33Å; A702-L840 HydrophobicContact CB-CD1 3.75Å; A702-L840 HydrophobicContact CB-CD2 3.79Å; A702-L840 HydrophobicContact CB-CG 4.43Å; L706-L840 HydrophobicContact CD2-CD1 4.25Å; I756-L840 HydrophobicContact CD1-CB 4.26Å; I756-L840 HydrophobicContact CD1-CD2 3.77Å; I756-L840 HydrophobicContact CD1-CG 3.77Å; I756-L840 HydrophobicContact CG1-CD2 4.09Å; A836-L840 PolarHBondContact O-N 3.45Å; L840-G843 PolarHBondContact O-N 3.2Å; L840-L844 HydrophobicContact CG-CD1 4.49Å; L840-L844 PolarHBondContact O-N 3Å |
| 841 | H | 96.3 | Very high | 94.2 | Very high | 11 Ų | 11 | 6.6 Ų | 6.6 | 5% | 0.051 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 175.7 | -167.9 | 95.3 | 0 | 0 | 0 | 111.5 | I756 P837 L838 L839 G843 L844 L845 L1064 | I756-H841 HydrophobicContact CD1-CB 4.29Å; P837-H841 WeakPolarHBondContact O-CB 3.29Å; P837-H841 PolarHBondContact O-N 2.9Å; L838-H841 WeakPolarHBondContact O-CB 3.45Å; L838-H841 PolarHBondContact O-N 3.15Å; L839-H841 VanDerWaalsContact C-N 3.33Å; H841-G843 VanDerWaalsContact C-N 3.32Å; H841-G843 PolarHBondContact O-N 3.16Å; H841-L844 PolarHBondContact O-N 3.02Å; H841-L845 VanDerWaalsContact O-CB 3.24Å; H841-L845 WeakPolarHBondContact O-CB 3.28Å; H841-L845 PolarHBondContact O-N 3.34Å; H841-L1064 HydrophobicContact CB-CD2 3.79Å |
| 842 | C | 96.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 5.9 Ų | 5.9 | 5% | 0.054 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 172.8 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | L838 L839 G846 L955 | L838-C842 PolarHBondContact O-N 3.09Å; L838-C842 PolarHBondContact O-SG 2.89Å; L839-C842 PolarHBondContact O-N 3.33Å; C842-G846 PolarHBondContact O-N 3.32Å; C842-L955 WeakPolarHBondContact O-CD2 3.38Å |
| 843 | G | 95.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 6.3 Ų | 6.3 | 12% | 0.124 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.7 | -48.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L839 L840 H841 G846 V847 | L839-G843 PolarHBondContact O-N 3.12Å; L840-G843 PolarHBondContact O-N 3.2Å; H841-G843 VanDerWaalsContact C-N 3.32Å; H841-G843 PolarHBondContact O-N 3.16Å; G843-G846 PolarHBondContact O-N 2.98Å; G843-V847 WeakPolarHBondContact O-CG2 3.49Å; G843-V847 PolarHBondContact O-N 3.28Å; G843-V847 VanDerWaalsContact O-N 3.08Å |
| 844 | L | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.2 | -75.1 | 172.1 | 0 | 0 | 0 | 111.3 | L706 L709 L749 L753 I756 L840 H841 G846 V847 G848 | L706-L844 HydrophobicContact CB-CD2 3.9Å; L706-L844 HydrophobicContact CD1-CD2 3.94Å; L709-L844 HydrophobicContact CD2-CD2 4.05Å; L749-L844 HydrophobicContact CD1-CB 4.11Å; L749-L844 WeakPolarHBondContact CD1-O 3.49Å; L753-L844 HydrophobicContact CD2-CB 4.04Å; L753-L844 HydrophobicContact CD2-CD1 4.39Å; I756-L844 HydrophobicContact CD1-CD1 3.54Å; L840-L844 HydrophobicContact CG-CD1 4.49Å; L840-L844 PolarHBondContact O-N 3Å; H841-L844 PolarHBondContact O-N 3.02Å; L844-G846 VanDerWaalsContact C-N 3.29Å; L844-G846 PolarHBondContact O-N 3.33Å; L844-V847 PolarHBondContact O-N 3.42Å; L844-G848 PolarHBondContact O-N 2.89Å |
| 845 | L | 96.6 | Very high | 94.3 | Very high | 15 Ų | 15 | 8.6 Ų | 8.6 | 8% | 0.079 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 177.2 | -173.4 | 59.3 | 0 | 0 | 0 | 111.3 | H841 G848 L849 I954 L955 V958 F1057 | H841-L845 VanDerWaalsContact O-CB 3.24Å; H841-L845 WeakPolarHBondContact O-CB 3.28Å; H841-L845 PolarHBondContact O-N 3.34Å; L845-G848 PolarHBondContact O-N 2.83Å; L845-L849 HydrophobicContact CD1-CD1 4.45Å; L845-L849 HydrophobicContact CD1-CG 4.34Å; L845-L849 HydrophobicContact CG-CD1 3.99Å; L845-L849 HydrophobicContact CG-CG 4.35Å; L845-L849 WeakPolarHBondContact O-CB 3.32Å; L845-L849 VanDerWaalsContact O-CG 3.23Å; L845-L849 WeakPolarHBondContact O-CG 3.45Å; L845-L849 PolarHBondContact O-N 2.84Å; L845-I954 HydrophobicContact CD2-CG2 3.54Å; L845-I954 HydrophobicContact CG-CG2 4.2Å; L845-L955 HydrophobicContact CB-CD2 4.3Å; L845-L955 HydrophobicContact CD2-CD2 4.4Å; L845-L955 HydrophobicContact CG-CD2 4.25Å; L845-V958 HydrophobicContact CD2-CG2 3.92Å; L845-F1057 HydrophobicContact CD2-CD1 4.31Å; L845-F1057 HydrophobicContact CD2-CE1 4.2Å |
| 846 | G | 96.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 8.9 Ų | 8.9 | 7% | 0.072 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C842 G843 L844 G848 L849 L850 F861 | C842-G846 PolarHBondContact O-N 3.32Å; G843-G846 PolarHBondContact O-N 2.98Å; L844-G846 VanDerWaalsContact C-N 3.29Å; L844-G846 PolarHBondContact O-N 3.33Å; G846-G848 VanDerWaalsContact C-N 3.35Å; G846-L849 PolarHBondContact O-N 3.41Å; G846-L850 VanDerWaalsContact O-CB 3.27Å; G846-L850 WeakPolarHBondContact O-CB 3.25Å; G846-L850 PolarHBondContact O-N 2.68Å; G846-F861 WeakPolarHBondContact O-CE1 3.5Å |
| 847 | V | 96.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 8.9 Ų | 8.9 | 8% | 0.079 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | L675 L706 L709 G843 L844 L850 L851 | L675-V847 HydrophobicContact CD1-CG1 4.06Å; L675-V847 HydrophobicContact CD1-CG2 4.06Å; L706-V847 HydrophobicContact CD1-CG2 4.08Å; L709-V847 HydrophobicContact CD2-CB 3.91Å; L709-V847 HydrophobicContact CD2-CG1 3.76Å; L709-V847 HydrophobicContact CG-CB 4.38Å; L709-V847 HydrophobicContact CG-CG1 3.67Å; G843-V847 WeakPolarHBondContact O-CG2 3.49Å; G843-V847 PolarHBondContact O-N 3.28Å; G843-V847 VanDerWaalsContact O-N 3.08Å; L844-V847 PolarHBondContact O-N 3.42Å; V847-L850 PolarHBondContact O-N 3.25Å; V847-L851 PolarHBondContact O-N 3.45Å |
| 848 | G | 96 | Very high | 93.8 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 4% | 0.041 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L844 L845 G846 L851 | L844-G848 PolarHBondContact O-N 2.89Å; L845-G848 PolarHBondContact O-N 2.83Å; G846-G848 VanDerWaalsContact C-N 3.35Å; G848-L851 WeakPolarHBondContact O-CB 3.33Å; G848-L851 PolarHBondContact O-N 3.21Å |
| 849 | L | 97 | Very high | 93.7 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -70.3 | -38.1 | 175.6 | -69.1 | 168.8 | 0 | 0 | 0 | 111.5 | L845 G846 L851 L852 H853 F861 L947 A951 I954 L955 | L845-L849 HydrophobicContact CD1-CD1 4.45Å; L845-L849 HydrophobicContact CD1-CG 4.34Å; L845-L849 HydrophobicContact CG-CD1 3.99Å; L845-L849 HydrophobicContact CG-CG 4.35Å; L845-L849 WeakPolarHBondContact O-CB 3.32Å; L845-L849 VanDerWaalsContact O-CG 3.23Å; L845-L849 WeakPolarHBondContact O-CG 3.45Å; L845-L849 PolarHBondContact O-N 2.84Å; G846-L849 PolarHBondContact O-N 3.41Å; L849-L851 VanDerWaalsContact C-N 3.27Å; L849-L851 PolarHBondContact O-N 3.05Å; L849-L852 WeakPolarHBondContact O-CB 3.36Å; L849-L852 PolarHBondContact O-N 3.14Å; L849-H853 PolarHBondContact O-ND1 2.79Å; L849-F861 HydrophobicContact CB-CE1 3.94Å; L849-F861 HydrophobicContact CB-CZ 4.11Å; L849-L947 HydrophobicContact CD2-CB 3.96Å; L849-L947 HydrophobicContact CD2-CD2 4.36Å; L849-L947 WeakPolarHBondContact CD2-O 3.49Å; L849-A951 HydrophobicContact CB-CB 4.09Å; L849-A951 HydrophobicContact CD1-CB 4.07Å; L849-A951 HydrophobicContact CD2-CB 4.19Å; L849-A951 HydrophobicContact CG-CB 4.35Å; L849-I954 HydrophobicContact CD1-CB 4.27Å; L849-I954 HydrophobicContact CD1-CG2 3.95Å; L849-I954 HydrophobicContact CD2-CD1 4.06Å; L849-L955 HydrophobicContact CD1-CD1 4.3Å; L849-L955 HydrophobicContact CD1-CD2 4Å; L849-L955 HydrophobicContact CD1-CG 3.8Å |
| 850 | L | 95.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 9.1 Ų | 9.1 | 3% | 0.031 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.4 | -30.4 | 175.8 | 176.8 | 55.8 | 0 | 0 | 0 | 112.2 | L675 W717 G846 V847 L852 H853 A858 F861 | L675-L850 HydrophobicContact CD1-CD2 4.07Å; W717-L850 HydrophobicContact CH2-CD1 4.25Å; W717-L850 HydrophobicContact CH2-CD2 3.84Å; W717-L850 HydrophobicContact CH2-CG 3.85Å; W717-L850 HydrophobicContact CZ2-CD1 4.11Å; W717-L850 HydrophobicContact CZ2-CD2 4.32Å; W717-L850 HydrophobicContact CZ2-CG 3.8Å; G846-L850 VanDerWaalsContact O-CB 3.27Å; G846-L850 WeakPolarHBondContact O-CB 3.25Å; G846-L850 PolarHBondContact O-N 2.68Å; V847-L850 PolarHBondContact O-N 3.25Å; L850-L852 PolarHBondContact O-N 2.89Å; L850-H853 PolarHBondContact O-N 3.5Å; L850-A858 HydrophobicContact CD1-CB 4.11Å; L850-A858 HydrophobicContact CD2-CB 3.95Å; L850-F861 HydrophobicContact CB-CD1 4.08Å; L850-F861 HydrophobicContact CB-CD2 4.3Å; L850-F861 HydrophobicContact CB-CE1 4.11Å; L850-F861 HydrophobicContact CB-CE2 4.32Å; L850-F861 HydrophobicContact CB-CG 4.17Å; L850-F861 HydrophobicContact CB-CZ 4.22Å; L850-F861 HydrophobicContact CD1-CD2 3.72Å; L850-F861 HydrophobicContact CD1-CE2 4.06Å; L850-F861 HydrophobicContact CD1-CG 4.16Å; L850-F861 HydrophobicContact CD2-CB 4.27Å; L850-F861 HydrophobicContact CD2-CG 4.41Å; L850-F861 HydrophobicContact CG-CD2 4.46Å; L850-F861 HydrophobicContact CG-CG 4.47Å |
| 851 | L | 93.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 9.4 Ų | 9.4 | 3% | 0.026 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.1 | 172.1 | -173.9 | 66.4 | 0 | 0 | 0 | 112.8 | A713 A745 F746 V847 G848 L849 H853 V929 | A713-L851 HydrophobicContact CB-CD1 4.33Å; A745-L851 HydrophobicContact CB-CD2 3.68Å; F746-L851 HydrophobicContact CD1-CD2 4.1Å; F746-L851 HydrophobicContact CE1-CD2 3.76Å; F746-L851 HydrophobicContact CE2-CD2 4.24Å; F746-L851 HydrophobicContact CG-CD2 4.47Å; F746-L851 HydrophobicContact CZ-CD2 3.83Å; V847-L851 PolarHBondContact O-N 3.45Å; G848-L851 WeakPolarHBondContact O-CB 3.33Å; G848-L851 PolarHBondContact O-N 3.21Å; L849-L851 VanDerWaalsContact C-N 3.27Å; L849-L851 PolarHBondContact O-N 3.05Å; L851-H853 VanDerWaalsContact C-N 3.29Å; L851-V929 HydrophobicContact CG-CG1 4.14Å |
| 852 | L | 92.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 9.8 Ų | 9.8 | 4% | 0.042 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.4 | 178.2 | -54.3 | 177.2 | 0 | 0 | 0 | 113.2 | F746 L849 L850 A926 V929 L944 L947 N948 | F746-L852 HydrophobicContact CE1-CD2 4.09Å; F746-L852 HydrophobicContact CZ-CD2 3.78Å; L849-L852 WeakPolarHBondContact O-CB 3.36Å; L849-L852 PolarHBondContact O-N 3.14Å; L850-L852 PolarHBondContact O-N 2.89Å; L852-A926 HydrophobicContact CB-CB 4.37Å; L852-V929 HydrophobicContact CD2-CB 4.3Å; L852-L944 HydrophobicContact CD2-CD2 3.99Å; L852-L947 HydrophobicContact CD1-CB 3.6Å; L852-L947 HydrophobicContact CD1-CD1 4.36Å; L852-N948 HydrophobicContact CB-CB 4.02Å; L852-N948 PolarHBondContact O-ND2 3.47Å |
| 853 | H | 90.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 10.1 Ų | 10.1 | 4% | 0.042 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -115.5 | 157.3 | -177.9 | -74 | 79.8 | 0 | 0 | 0 | 110.8 | L849 L850 L851 L857 F861 H915 N948 | L849-H853 PolarHBondContact O-ND1 2.79Å; L850-H853 PolarHBondContact O-N 3.5Å; L851-H853 VanDerWaalsContact C-N 3.29Å; H853-L857 HydrophobicContact CB-CB 4.38Å; H853-L857 HydrophobicContact CB-CD1 4.04Å; H853-F861 AromaticContact ND1-CZ 3.95Å; H853-H915 AromaticContact NE2-NE2 3.35Å; H853-H915 PolarHBondContact NE2-NE2 3.37Å; H853-N948 PolarHBondContact CD2-ND2 3.4Å; H853-N948 PolarHBondContact CE1-ND2 3.1Å; H853-N948 PolarHBondContact CE1-O 3.17Å; H853-N948 VanDerWaalsContact CE1-O 3.22Å; H853-N948 PolarHBondContact NE2-ND2 3.4Å; H853-N948 PolarHBondContact NE2-O 3.12Å |
| 854 | P | 82.8 | Confident | 93.8 | Very high | 28 Ų | 28 | 9.6 Ų | 9.6 | 18% | 0.182 | 6% | 0.056 | C | C | . | . | trans | -52.7 | 140.6 | 164.4 | -25.4 | 32.4 | 0 | 0 | 0 | 111.7 | G856 L857 | P854-G856 PolarHBondContact O-N 2.96Å; P854-G856 VanDerWaalsContact O-N 3.15Å; P854-L857 WeakPolarHBondContact O-CB 3.25Å; P854-L857 PolarHBondContact O-N 2.92Å | ||
| 855 | E | 86.8 | Confident | 93.8 | Very high | 20 Ų | 20 | 12.4 Ų | 12.4 | 9% | 0.093 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -54.7 | -34.4 | -177.7 | 55.5 | -81.7 | -170.6 | 0 | 0 | 113.4 | L655 S671 W717 L857 A858 | L655-E855 WeakPolarHBondContact CA-OE1 3.5Å; L655-E855 HydrophobicContact CB-CG 4.46Å; L655-E855 WeakPolarHBondContact CB-OE1 3.27Å; L655-E855 HydrophobicContact CD1-CG 3.49Å; L655-E855 VanDerWaalsContact CD1-CG 3.49Å; L655-E855 HydrophobicContact CG-CG 3.55Å; L655-E855 WeakPolarHBondContact CG-OE1 3.44Å; L655-E855 PolarHBondContact N-OE1 2.85Å; S671-E855 VanDerWaalsContact CB-O 3.31Å; S671-E855 WeakPolarHBondContact CB-O 3.33Å; S671-E855 PolarHBondContact OG-O 3.41Å; W717-E855 HydrophobicContact CB-CB 4.07Å; W717-E855 HydrophobicContact CD2-CB 3.58Å; W717-E855 HydrophobicContact CE3-CB 4.04Å; W717-E855 HydrophobicContact CG-CB 3.59Å; W717-E855 HydrophobicContact CZ2-CB 4.47Å; E855-L857 PolarHBondContact O-N 3.33Å; E855-A858 WeakPolarHBondContact O-CB 3.38Å; E855-A858 PolarHBondContact O-N 3.33Å |
| 856 | G | 84.7 | Confident | 93.8 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 6% | 0.062 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -58.1 | -17.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P854 | P854-G856 PolarHBondContact O-N 2.96Å; P854-G856 VanDerWaalsContact O-N 3.15Å |
| 857 | L | 91.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -87.1 | -1.5 | 177.5 | -63 | 175.1 | 0 | 0 | 0 | 114.1 | F636 L652 H853 P854 E855 L859 A860 F861 T913 | F636-L857 HydrophobicContact CB-CD2 4.36Å; F636-L857 HydrophobicContact CD1-CD2 3.92Å; L652-L857 HydrophobicContact CD2-CD1 4.34Å; L652-L857 HydrophobicContact CD2-CD2 3.98Å; H853-L857 HydrophobicContact CB-CB 4.38Å; H853-L857 HydrophobicContact CB-CD1 4.04Å; P854-L857 WeakPolarHBondContact O-CB 3.25Å; P854-L857 PolarHBondContact O-N 2.92Å; E855-L857 PolarHBondContact O-N 3.33Å; L857-L859 PolarHBondContact O-N 2.91Å; L857-A860 HydrophobicContact CD2-CB 4.31Å; L857-A860 WeakPolarHBondContact O-CA 3.29Å; L857-A860 WeakPolarHBondContact O-CB 3.36Å; L857-A860 PolarHBondContact O-N 3.09Å; L857-F861 WeakPolarHBondContact O-CD2 3.29Å; L857-F861 PolarHBondContact O-N 3.19Å; L857-T913 WeakPolarHBondContact CD1-O 3.31Å |
| 858 | A | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.9 | -36 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S671 W717 L850 E855 F861 L862 | S671-A858 WeakPolarHBondContact O-CB 3.27Å; W717-A858 HydrophobicContact CH2-CB 3.85Å; W717-A858 HydrophobicContact CZ3-CB 4.16Å; L850-A858 HydrophobicContact CD1-CB 4.11Å; L850-A858 HydrophobicContact CD2-CB 3.95Å; E855-A858 WeakPolarHBondContact O-CB 3.38Å; E855-A858 PolarHBondContact O-N 3.33Å; A858-F861 PolarHBondContact O-N 3.02Å; A858-L862 PolarHBondContact O-N 3.04Å |
| 859 | L | 95.1 | Very high | 93.8 | Very high | 35 Ų | 35 | 15.8 Ų | 15.8 | 18% | 0.183 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | 173.7 | -179.5 | 57.1 | 0 | 0 | 0 | 111.7 | F636 L670 L857 F861 L862 L863 | F636-L859 HydrophobicContact CE1-CB 4.44Å; F636-L859 HydrophobicContact CZ-CB 4.02Å; F636-L859 HydrophobicContact CZ-CD2 3.93Å; F636-L859 HydrophobicContact CZ-CG 3.91Å; L670-L859 HydrophobicContact CD1-CD2 4.36Å; L670-L859 HydrophobicContact CD2-CD2 3.91Å; L670-L859 HydrophobicContact CG-CD2 4.28Å; L857-L859 PolarHBondContact O-N 2.91Å; L859-F861 VanDerWaalsContact C-N 3.3Å; L859-F861 PolarHBondContact O-N 3.16Å; L859-L862 HydrophobicContact CD1-CD2 4.25Å; L859-L862 PolarHBondContact O-N 2.94Å; L859-L862 VanDerWaalsContact O-N 3.16Å; L859-L863 HydrophobicContact CD1-CG 4.43Å; L859-L863 HydrophobicContact CG-CD1 4.47Å; L859-L863 WeakPolarHBondContact O-CG 3.46Å; L859-L863 PolarHBondContact O-N 3.25Å |
| 860 | A | 95.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F636 L857 L863 L864 F909 | F636-A860 HydrophobicContact CD1-CB 4.11Å; F636-A860 HydrophobicContact CD2-CB 4.24Å; F636-A860 HydrophobicContact CE1-CB 4.29Å; F636-A860 HydrophobicContact CE2-CB 4.42Å; F636-A860 HydrophobicContact CG-CB 4.07Å; F636-A860 HydrophobicContact CZ-CB 4.44Å; L857-A860 HydrophobicContact CD2-CB 4.31Å; L857-A860 WeakPolarHBondContact O-CA 3.29Å; L857-A860 WeakPolarHBondContact O-CB 3.36Å; L857-A860 PolarHBondContact O-N 3.09Å; A860-L863 PolarHBondContact O-N 3.38Å; A860-L864 WeakPolarHBondContact O-CB 3.4Å; A860-L864 PolarHBondContact O-N 3.22Å; A860-F909 WeakPolarHBondContact O-CE1 3.19Å |
| 861 | F | 96.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 16 Ų | 16 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 173.5 | -87.4 | -104.7 | 0 | 0 | 0 | 113 | G846 L849 L850 H853 L857 A858 L859 L864 L865 T913 A951 L955 | G846-F861 WeakPolarHBondContact O-CE1 3.5Å; L849-F861 HydrophobicContact CB-CE1 3.94Å; L849-F861 HydrophobicContact CB-CZ 4.11Å; L850-F861 HydrophobicContact CB-CD1 4.08Å; L850-F861 HydrophobicContact CB-CD2 4.3Å; L850-F861 HydrophobicContact CB-CE1 4.11Å; L850-F861 HydrophobicContact CB-CE2 4.32Å; L850-F861 HydrophobicContact CB-CG 4.17Å; L850-F861 HydrophobicContact CB-CZ 4.22Å; L850-F861 HydrophobicContact CD1-CD2 3.72Å; L850-F861 HydrophobicContact CD1-CE2 4.06Å; L850-F861 HydrophobicContact CD1-CG 4.16Å; L850-F861 HydrophobicContact CD2-CB 4.27Å; L850-F861 HydrophobicContact CD2-CG 4.41Å; L850-F861 HydrophobicContact CG-CD2 4.46Å; L850-F861 HydrophobicContact CG-CG 4.47Å; H853-F861 AromaticContact ND1-CZ 3.95Å; L857-F861 WeakPolarHBondContact O-CD2 3.29Å; L857-F861 PolarHBondContact O-N 3.19Å; A858-F861 PolarHBondContact O-N 3.02Å; L859-F861 VanDerWaalsContact C-N 3.3Å; L859-F861 PolarHBondContact O-N 3.16Å; F861-L864 WeakPolarHBondContact O-CB 3.37Å; F861-L864 PolarHBondContact O-N 3.45Å; F861-L865 WeakPolarHBondContact O-CG 3.49Å; F861-L865 PolarHBondContact O-N 3Å; F861-T913 HydrophobicContact CE2-CG2 4.1Å; F861-A951 HydrophobicContact CZ-CB 4.09Å; F861-L955 HydrophobicContact CD1-CD1 4.37Å; F861-L955 HydrophobicContact CE1-CD1 4.15Å |
| 862 | L | 96.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 15.9 Ų | 15.9 | 10% | 0.099 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.7 | -45.8 | 172.2 | 173.9 | 61.6 | 0 | 0 | 0 | 111.1 | V677 S678 L681 A858 L859 L864 L865 L866 | V677-L862 HydrophobicContact CB-CD2 4.3Å; V677-L862 HydrophobicContact CG1-CD1 3.88Å; V677-L862 HydrophobicContact CG1-CD2 4.05Å; S678-L862 WeakPolarHBondContact OG-CD1 3.47Å; L681-L862 HydrophobicContact CD1-CD1 4.36Å; A858-L862 PolarHBondContact O-N 3.04Å; L859-L862 HydrophobicContact CD1-CD2 4.25Å; L859-L862 PolarHBondContact O-N 2.94Å; L859-L862 VanDerWaalsContact O-N 3.16Å; L862-L864 VanDerWaalsContact C-N 3.29Å; L862-L864 PolarHBondContact O-N 3.43Å; L862-L865 PolarHBondContact O-N 2.89Å; L862-L866 HydrophobicContact CD1-CD1 4.29Å; L862-L866 HydrophobicContact CD1-CG 4.24Å; L862-L866 HydrophobicContact CG-CD1 4.17Å; L862-L866 WeakPolarHBondContact O-CG 3.43Å; L862-L866 PolarHBondContact O-N 2.87Å |
| 863 | L | 96.9 | Very high | 94 | Very high | 15 Ų | 15 | 18 Ų | 18 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 175.6 | -65.7 | 175.1 | 0 | 0 | 0 | 111.5 | V632 F636 L859 A860 L865 L866 E867 F909 | V632-L863 HydrophobicContact CB-CD1 3.99Å; V632-L863 HydrophobicContact CG1-CD1 3.69Å; F636-L863 HydrophobicContact CE2-CD1 3.83Å; L859-L863 HydrophobicContact CD1-CG 4.43Å; L859-L863 HydrophobicContact CG-CD1 4.47Å; L859-L863 WeakPolarHBondContact O-CG 3.46Å; L859-L863 PolarHBondContact O-N 3.25Å; A860-L863 PolarHBondContact O-N 3.38Å; L863-L865 PolarHBondContact O-N 3.4Å; L863-L866 PolarHBondContact O-N 3.17Å; L863-E867 VanDerWaalsContact O-CB 3.32Å; L863-E867 WeakPolarHBondContact O-CB 3.41Å; L863-E867 PolarHBondContact O-N 3.12Å; L863-F909 HydrophobicContact CB-CE1 4.32Å; L863-F909 HydrophobicContact CB-CZ 4.22Å |
| 864 | L | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 174.5 | -173.4 | 158.5 | 0 | 0 | 0 | 111.4 | A860 F861 L862 E867 M868 F909 L955 F956 | A860-L864 WeakPolarHBondContact O-CB 3.4Å; A860-L864 PolarHBondContact O-N 3.22Å; F861-L864 WeakPolarHBondContact O-CB 3.37Å; F861-L864 PolarHBondContact O-N 3.45Å; L862-L864 VanDerWaalsContact C-N 3.29Å; L862-L864 PolarHBondContact O-N 3.43Å; L864-E867 PolarHBondContact O-N 3.29Å; L864-M868 HydrophobicContact CD2-CG 4.07Å; L864-M868 HydrophobicContact CD2-SD 3.45Å; L864-M868 WeakPolarHBondContact CD2-SD 3.35Å; L864-M868 WeakPolarHBondContact O-CG 3.19Å; L864-M868 PolarHBondContact O-N 3.1Å; L864-F909 HydrophobicContact CB-CD1 3.71Å; L864-F909 HydrophobicContact CB-CD2 4.25Å; L864-F909 HydrophobicContact CB-CE1 3.58Å; L864-F909 HydrophobicContact CB-CE2 4.12Å; L864-F909 HydrophobicContact CB-CG 4.07Å; L864-F909 HydrophobicContact CB-CZ 3.82Å; L864-F909 HydrophobicContact CD1-CB 3.85Å; L864-F909 HydrophobicContact CD1-CD1 3.86Å; L864-F909 HydrophobicContact CD1-CD2 4.35Å; L864-F909 HydrophobicContact CD1-CG 3.74Å; L864-F909 HydrophobicContact CG-CB 4.43Å; L864-F909 HydrophobicContact CG-CD1 4Å; L864-F909 HydrophobicContact CG-CD2 4.01Å; L864-F909 HydrophobicContact CG-CE1 4.31Å; L864-F909 HydrophobicContact CG-CE2 4.3Å; L864-F909 HydrophobicContact CG-CG 3.86Å; L864-F909 HydrophobicContact CG-CZ 4.47Å; L864-F909 VanDerWaalsContact N-CZ 3.34Å; L864-L955 HydrophobicContact CD1-CD1 4.25Å; L864-L955 HydrophobicContact CD2-CD1 3.85Å; L864-F956 HydrophobicContact CD1-CE2 4.31Å; L864-F956 HydrophobicContact CD2-CE2 4.14Å; L864-F956 HydrophobicContact CG-CE2 4.01Å |
| 865 | L | 95.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 17.6 Ų | 17.6 | 30% | 0.304 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 179.4 | -67.4 | 170.7 | 0 | 0 | 0 | 112.2 | F861 L862 L863 A869 | F861-L865 WeakPolarHBondContact O-CG 3.49Å; F861-L865 PolarHBondContact O-N 3Å; L862-L865 PolarHBondContact O-N 2.89Å; L863-L865 PolarHBondContact O-N 3.4Å; L865-A869 WeakPolarHBondContact O-CB 3.29Å; L865-A869 PolarHBondContact O-N 2.95Å |
| 866 | L | 96.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 16.7 Ų | 16.7 | 33% | 0.325 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.8 | -68.9 | 175.1 | 0 | 0 | 0 | 111.7 | L681 L862 L863 A869 A870 | L681-L866 HydrophobicContact CD1-CD2 4.13Å; L862-L866 HydrophobicContact CD1-CD1 4.29Å; L862-L866 HydrophobicContact CD1-CG 4.24Å; L862-L866 HydrophobicContact CG-CD1 4.17Å; L862-L866 WeakPolarHBondContact O-CG 3.43Å; L862-L866 PolarHBondContact O-N 2.87Å; L863-L866 PolarHBondContact O-N 3.17Å; L866-A869 PolarHBondContact O-N 3.05Å; L866-A870 WeakPolarHBondContact O-CB 3.23Å; L866-A870 PolarHBondContact O-N 3.14Å |
| 867 | E | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.2 | -46.5 | 176.2 | -179 | 164.8 | 128.5 | 0 | 0 | 112.1 | L571 L626 C629 L863 L864 A869 A870 L871 A905 Q908 F909 | L571-E867 WeakPolarHBondContact CD2-OE1 3.35Å; L626-E867 HydrophobicContact CD1-CG 3.47Å; L626-E867 VanDerWaalsContact CD1-CG 3.47Å; C629-E867 HydrophobicContact CB-CB 4.21Å; L863-E867 VanDerWaalsContact O-CB 3.32Å; L863-E867 WeakPolarHBondContact O-CB 3.41Å; L863-E867 PolarHBondContact O-N 3.12Å; L864-E867 PolarHBondContact O-N 3.29Å; E867-A869 VanDerWaalsContact C-N 3.26Å; E867-A869 PolarHBondContact O-N 3.34Å; E867-A870 PolarHBondContact O-N 3.35Å; E867-A870 VanDerWaalsContact O-N 3.12Å; E867-L871 HydrophobicContact CG-CD1 4.31Å; E867-L871 HydrophobicContact CG-CG 4.43Å; E867-L871 WeakPolarHBondContact O-CG 3.39Å; E867-L871 PolarHBondContact O-N 3.33Å; E867-A905 WeakPolarHBondContact OE1-CB 3.48Å; E867-Q908 PolarHBondContact OE1-OE1 2.85Å; E867-F909 HydrophobicContact CB-CE2 3.88Å; E867-F909 HydrophobicContact CB-CZ 4.32Å; E867-F909 VanDerWaalsContact CD-CE2 3.47Å; E867-F909 HydrophobicContact CG-CE2 4.13Å |
| 868 | M | 96.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 16.7 Ų | 16.7 | 6% | 0.059 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54 | -46.3 | 173.1 | -75 | -179.9 | 79.5 | 0 | 0 | 110.8 | L864 L871 L872 W902 F956 | L864-M868 HydrophobicContact CD2-CG 4.07Å; L864-M868 HydrophobicContact CD2-SD 3.45Å; L864-M868 WeakPolarHBondContact CD2-SD 3.35Å; L864-M868 WeakPolarHBondContact O-CG 3.19Å; L864-M868 PolarHBondContact O-N 3.1Å; M868-L871 PolarHBondContact O-N 3.14Å; M868-L872 WeakPolarHBondContact O-CB 3.16Å; M868-L872 VanDerWaalsContact O-CG 3.26Å; M868-L872 WeakPolarHBondContact O-CG 3.39Å; M868-L872 PolarHBondContact O-N 3.29Å; M868-W902 HydrophobicContact CB-CH2 4.03Å; M868-W902 HydrophobicContact CB-CZ3 4.24Å; M868-W902 HydrophobicContact CE-CH2 3.46Å; M868-W902 VanDerWaalsContact CE-CH2 3.46Å; M868-W902 HydrophobicContact CE-CZ2 3.37Å; M868-W902 HydrophobicContact CG-CH2 4.09Å; M868-W902 HydrophobicContact CG-CZ3 4.42Å; M868-F956 HydrophobicContact CG-CD1 4.35Å; M868-F956 HydrophobicContact CG-CE1 3.66Å; M868-F956 HydrophobicContact CG-CE2 4.03Å; M868-F956 HydrophobicContact CG-CZ 3.48Å; M868-F956 VanDerWaalsContact CG-CZ 3.48Å; M868-F956 HydrophobicContact SD-CE2 4.35Å; M868-F956 HydrophobicContact SD-CZ 4.35Å |
| 869 | A | 95.7 | Very high | 94.7 | Very high | 37 Ų | 37 | 17.5 Ų | 17.5 | 31% | 0.306 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L865 L866 E867 L871 L872 H873 | L865-A869 WeakPolarHBondContact O-CB 3.29Å; L865-A869 PolarHBondContact O-N 2.95Å; L866-A869 PolarHBondContact O-N 3.05Å; E867-A869 VanDerWaalsContact C-N 3.26Å; E867-A869 PolarHBondContact O-N 3.34Å; A869-L871 VanDerWaalsContact C-N 3.34Å; A869-L871 PolarHBondContact O-N 2.81Å; A869-L872 PolarHBondContact O-N 3.07Å; A869-H873 WeakPolarHBondContact O-CB 3.34Å; A869-H873 PolarHBondContact O-CD2 2.93Å; A869-H873 PolarHBondContact O-N 2.79Å |
| 870 | A | 97.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 4% | 0.041 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C622 V625 L626 L866 E867 H873 I874 | C622-A870 HydrophobicContact CB-CB 4.46Å; V625-A870 HydrophobicContact CB-CB 4.41Å; V625-A870 HydrophobicContact CG1-CB 4.18Å; L626-A870 HydrophobicContact CB-CB 4.3Å; L866-A870 WeakPolarHBondContact O-CB 3.23Å; L866-A870 PolarHBondContact O-N 3.14Å; E867-A870 PolarHBondContact O-N 3.35Å; E867-A870 VanDerWaalsContact O-N 3.12Å; A870-H873 PolarHBondContact O-N 2.8Å; A870-I874 WeakPolarHBondContact O-CB 3.37Å; A870-I874 WeakPolarHBondContact O-CG1 3.26Å; A870-I874 PolarHBondContact O-N 3.49Å |
| 871 | L | 97.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 177.2 | -70.1 | 177.9 | 0 | 0 | 0 | 112.6 | L626 E867 M868 A869 H873 I874 H875 L901 W902 A905 | L626-L871 HydrophobicContact CD1-CD2 4.08Å; L626-L871 HydrophobicContact CD1-CG 4.32Å; L626-L871 HydrophobicContact CD2-CD2 3.93Å; E867-L871 HydrophobicContact CG-CD1 4.31Å; E867-L871 HydrophobicContact CG-CG 4.43Å; E867-L871 WeakPolarHBondContact O-CG 3.39Å; E867-L871 PolarHBondContact O-N 3.33Å; M868-L871 PolarHBondContact O-N 3.14Å; A869-L871 VanDerWaalsContact C-N 3.34Å; A869-L871 PolarHBondContact O-N 2.81Å; L871-H873 VanDerWaalsContact C-N 3.33Å; L871-H873 PolarHBondContact O-N 2.78Å; L871-I874 PolarHBondContact O-N 3.46Å; L871-H875 WeakPolarHBondContact O-CB 3.34Å; L871-H875 PolarHBondContact O-N 3.36Å; L871-L901 HydrophobicContact CD2-CB 4.07Å; L871-L901 HydrophobicContact CD2-CD1 4.34Å; L871-W902 HydrophobicContact CB-CE3 4.34Å; L871-W902 HydrophobicContact CB-CZ3 4.38Å; L871-W902 HydrophobicContact CD1-CE3 4.38Å; L871-A905 HydrophobicContact CD1-CB 3.66Å |
| 872 | L | 96 | Very high | 92.9 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.9 | -74.5 | 167.6 | 0 | 0 | 0 | 111.4 | M868 A869 H875 A876 W902 L962 L963 W966 | M868-L872 WeakPolarHBondContact O-CB 3.16Å; M868-L872 VanDerWaalsContact O-CG 3.26Å; M868-L872 WeakPolarHBondContact O-CG 3.39Å; M868-L872 PolarHBondContact O-N 3.29Å; A869-L872 PolarHBondContact O-N 3.07Å; L872-H875 PolarHBondContact O-N 3.48Å; L872-A876 PolarHBondContact O-N 3.1Å; L872-W902 HydrophobicContact CD1-CH2 4.03Å; L872-W902 HydrophobicContact CD1-CZ3 4.27Å; L872-W902 HydrophobicContact CD2-CH2 4.19Å; L872-W902 HydrophobicContact CD2-CZ3 4.07Å; L872-W902 HydrophobicContact CG-CH2 3.98Å; L872-W902 HydrophobicContact CG-CZ3 3.75Å; L872-L962 HydrophobicContact CD1-CB 4.2Å; L872-L962 HydrophobicContact CD1-CD1 4.25Å; L872-L962 HydrophobicContact CD2-CB 3.8Å; L872-L963 HydrophobicContact CD2-CD2 3.91Å; L872-L963 HydrophobicContact CD2-CG 4.46Å; L872-W966 HydrophobicContact CB-CB 4.29Å; L872-W966 HydrophobicContact CB-CD2 3.76Å; L872-W966 HydrophobicContact CB-CG 3.63Å; L872-W966 HydrophobicContact CB-CZ2 4.47Å; L872-W966 HydrophobicContact CD1-CD2 3.97Å; L872-W966 HydrophobicContact CD1-CE3 3.9Å; L872-W966 HydrophobicContact CD1-CH2 4.27Å; L872-W966 HydrophobicContact CD1-CZ2 4.33Å; L872-W966 HydrophobicContact CD1-CZ3 4.06Å; L872-W966 HydrophobicContact CD2-CB 3.9Å; L872-W966 HydrophobicContact CD2-CD2 4.21Å; L872-W966 HydrophobicContact CD2-CE3 4.39Å; L872-W966 HydrophobicContact CD2-CG 4.03Å; L872-W966 HydrophobicContact CG-CD2 4.2Å; L872-W966 HydrophobicContact CG-CG 4.27Å |
| 873 | H | 94.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 22.8 Ų | 22.8 | 24% | 0.236 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 177.8 | -82.8 | -107.1 | 0 | 0 | 0 | 112.9 | C622 A869 A870 L871 H875 A876 A877 W966 R970 | C622-H873 HydrophobicContact CB-CB 4.33Å; C622-H873 WeakPolarHBondContact SG-CB 3.28Å; A869-H873 WeakPolarHBondContact O-CB 3.34Å; A869-H873 PolarHBondContact O-CD2 2.93Å; A869-H873 PolarHBondContact O-N 2.79Å; A870-H873 PolarHBondContact O-N 2.8Å; L871-H873 VanDerWaalsContact C-N 3.33Å; L871-H873 PolarHBondContact O-N 2.78Å; H873-H875 VanDerWaalsContact C-N 3.32Å; H873-A876 PolarHBondContact O-N 3.36Å; H873-A877 WeakPolarHBondContact O-CB 3.41Å; H873-A877 PolarHBondContact O-N 2.9Å; H873-W966 AromaticContact CD2-CE2 3.91Å; H873-W966 AromaticContact CD2-NE1 3.23Å; H873-W966 PolarHBondContact CD2-NE1 3.41Å; H873-W966 AromaticContact CG-NE1 3.9Å; H873-W966 AromaticContact NE2-CE2 3.9Å; H873-W966 AromaticContact NE2-CZ2 3.72Å; H873-W966 AromaticContact NE2-NE1 3.44Å; H873-W966 PolarHBondContact NE2-NE1 2.85Å; H873-R970 PolarHBondContact ND1-NH1 3.08Å |
| 874 | I | 94.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 172.1 | -72.7 | 165.4 | 0 | 0 | 0 | 109.7 | V578 L619 C622 L626 A870 L871 A878 | V578-I874 HydrophobicContact CG1-CG2 4.24Å; L619-I874 HydrophobicContact CD1-CB 4.15Å; L619-I874 HydrophobicContact CD1-CG1 4.15Å; L619-I874 HydrophobicContact CD1-CG2 3.8Å; C622-I874 HydrophobicContact CB-CD1 4.31Å; C622-I874 HydrophobicContact CB-CG1 3.75Å; L626-I874 HydrophobicContact CB-CD1 4.48Å; L626-I874 HydrophobicContact CD2-CD1 4.02Å; A870-I874 WeakPolarHBondContact O-CB 3.37Å; A870-I874 WeakPolarHBondContact O-CG1 3.26Å; A870-I874 PolarHBondContact O-N 3.49Å; L871-I874 PolarHBondContact O-N 3.46Å; I874-A878 VanDerWaalsContact O-CB 3.25Å; I874-A878 WeakPolarHBondContact O-CB 3.21Å; I874-A878 PolarHBondContact O-N 3.27Å |
| 875 | H | 93.8 | Very high | 86.9 | Confident | 26 Ų | 26 | 27.6 Ų | 27.6 | 12% | 0.12 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 178.3 | 176.9 | 35.2 | 0 | 0 | 0 | 112 | L871 L872 H873 A878 A879 P898 L963 | L871-H875 WeakPolarHBondContact O-CB 3.34Å; L871-H875 PolarHBondContact O-N 3.36Å; L872-H875 PolarHBondContact O-N 3.48Å; H873-H875 VanDerWaalsContact C-N 3.32Å; H875-A878 PolarHBondContact O-N 2.97Å; H875-A879 WeakPolarHBondContact O-CB 3.37Å; H875-A879 PolarHBondContact O-N 3.41Å; H875-P898 HydrophobicContact CB-CB 4.15Å; H875-L963 PolarHBondContact CD2-O 3.32Å; H875-L963 VanDerWaalsContact CD2-O 3.32Å; H875-L963 PolarHBondContact NE2-O 2.89Å |
| 876 | A | 90.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L872 H873 A878 A879 N880 R970 | L872-A876 PolarHBondContact O-N 3.1Å; H873-A876 PolarHBondContact O-N 3.36Å; A876-A878 VanDerWaalsContact C-N 3.35Å; A876-A878 PolarHBondContact O-N 3.39Å; A876-A879 WeakPolarHBondContact O-CB 3.36Å; A876-A879 PolarHBondContact O-N 3.49Å; A876-A879 VanDerWaalsContact O-N 3.16Å; A876-N880 PolarHBondContact O-N 3.02Å; A876-N880 PolarHBondContact O-ND2 2.88Å; A876-R970 HydrophobicContact CB-CB 4.07Å |
| 877 | A | 90.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E615 L619 H873 A879 N880 L881 | E615-A877 WeakPolarHBondContact OE2-CA 3.23Å; L619-A877 HydrophobicContact CB-CB 4.19Å; L619-A877 HydrophobicContact CD1-CB 4.38Å; H873-A877 WeakPolarHBondContact O-CB 3.41Å; H873-A877 PolarHBondContact O-N 2.9Å; A877-A879 VanDerWaalsContact C-N 3.33Å; A877-A879 PolarHBondContact O-N 3.4Å; A877-N880 PolarHBondContact O-N 3.37Å; A877-L881 WeakPolarHBondContact O-CB 3.42Å; A877-L881 VanDerWaalsContact O-CG 3.3Å; A877-L881 WeakPolarHBondContact O-CG 3.19Å; A877-L881 PolarHBondContact O-N 3.33Å |
| 878 | A | 90.1 | Very high | 79.2 | Confident | 7 Ų | 7 | 31 Ų | 31 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -36.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V578 L582 I874 H875 A876 R882 | V578-A878 HydrophobicContact CG1-CB 3.78Å; L582-A878 HydrophobicContact CD1-CB 3.95Å; I874-A878 VanDerWaalsContact O-CB 3.25Å; I874-A878 WeakPolarHBondContact O-CB 3.21Å; I874-A878 PolarHBondContact O-N 3.27Å; H875-A878 PolarHBondContact O-N 2.97Å; A876-A878 VanDerWaalsContact C-N 3.35Å; A876-A878 PolarHBondContact O-N 3.39Å; A878-R882 WeakPolarHBondContact O-CB 3.47Å; A878-R882 VanDerWaalsContact O-CG 3.25Å; A878-R882 WeakPolarHBondContact O-CG 3.44Å; A878-R882 PolarHBondContact O-N 3.31Å |
| 879 | A | 86.1 | Confident | 76.8 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | H875 A876 A877 S884 P967 | H875-A879 WeakPolarHBondContact O-CB 3.37Å; H875-A879 PolarHBondContact O-N 3.41Å; A876-A879 WeakPolarHBondContact O-CB 3.36Å; A876-A879 PolarHBondContact O-N 3.49Å; A876-A879 VanDerWaalsContact O-N 3.16Å; A877-A879 VanDerWaalsContact C-N 3.33Å; A877-A879 PolarHBondContact O-N 3.4Å; A879-S884 WeakPolarHBondContact O-CB 3.32Å; A879-S884 PolarHBondContact O-N 3.3Å; A879-P967 HydrophobicContact CB-CB 4.27Å |
| 880 | N | 84.2 | Confident | 75 | Confident | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -52.1 | 175.3 | -72.5 | -22 | 0 | 0 | 0 | 111.1 | L607 E615 A876 A877 R882 G883 R970 | L607-N880 WeakPolarHBondContact CD1-O 3.44Å; E615-N880 HydrophobicContact CG-CB 4.28Å; E615-N880 PolarHBondContact OE2-ND2 3.05Å; A876-N880 PolarHBondContact O-N 3.02Å; A876-N880 PolarHBondContact O-ND2 2.88Å; A877-N880 PolarHBondContact O-N 3.37Å; N880-R882 VanDerWaalsContact C-N 3.3Å; N880-R882 PolarHBondContact O-N 2.93Å; N880-G883 PolarHBondContact O-N 2.69Å; N880-R970 PolarHBondContact ND2-O 3.19Å |
| 881 | L | 84.8 | Confident | 73.6 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -33.2 | -177.8 | -72.4 | 168.6 | 0 | 0 | 0 | 113.5 | L582 H587 L588 V612 E615 L619 A877 G883 | L582-L881 HydrophobicContact CD1-CD1 4.09Å; L582-L881 HydrophobicContact CD2-CB 4.35Å; H587-L881 PolarHBondContact ND1-O 3Å; L588-L881 HydrophobicContact CD1-CD1 4.27Å; V612-L881 HydrophobicContact CB-CD2 4.47Å; V612-L881 HydrophobicContact CG1-CD2 4.06Å; E615-L881 HydrophobicContact CB-CD1 4.3Å; E615-L881 HydrophobicContact CB-CD2 3.83Å; E615-L881 HydrophobicContact CB-CG 3.88Å; L619-L881 HydrophobicContact CD2-CD1 4.27Å; A877-L881 WeakPolarHBondContact O-CB 3.42Å; A877-L881 VanDerWaalsContact O-CG 3.3Å; A877-L881 WeakPolarHBondContact O-CG 3.19Å; A877-L881 PolarHBondContact O-N 3.33Å; L881-G883 PolarHBondContact O-N 3.33Å |
| 882 | R | 81.1 | Confident | 72.9 | Confident | 108 Ų | 108 | 36.9 Ų | 36.9 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.9 | 175 | -71.9 | 173.9 | -174.6 | -179.6 | 3.4 | 113.6 | L582 A878 N880 | L582-R882 HydrophobicContact CD2-CG 3.49Å; L582-R882 VanDerWaalsContact CD2-CG 3.49Å; A878-R882 WeakPolarHBondContact O-CB 3.47Å; A878-R882 VanDerWaalsContact O-CG 3.25Å; A878-R882 WeakPolarHBondContact O-CG 3.44Å; A878-R882 PolarHBondContact O-N 3.31Å; N880-R882 VanDerWaalsContact C-N 3.3Å; N880-R882 PolarHBondContact O-N 2.93Å |
| 883 | G | 66.1 | Low | 72.3 | Confident | 36 Ų | 36 | 40 Ų | 40 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 49.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N880 L881 | N880-G883 PolarHBondContact O-N 2.69Å; L881-G883 PolarHBondContact O-N 3.33Å |
| 884 | S | 52.9 | Low | 72.1 | Confident | 44 Ų | 44 | 37.7 Ų | 37.7 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | trans | -45.2 | 134.5 | -170.5 | -175.3 | 0 | 0 | 0 | 0 | 113 | A879 A886 A887 | A879-S884 WeakPolarHBondContact O-CB 3.32Å; A879-S884 PolarHBondContact O-N 3.3Å; S884-A886 PolarHBondContact O-N 3.37Å; S884-A887 PolarHBondContact O-N 3.4Å | ||
| 885 | P | 44.8 | Very low | 71.8 | Confident | 72 Ų | 72 | 39.2 Ų | 39.2 | 47% | 0.468 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -60.1 | -7.3 | -179.4 | 22.8 | -32.9 | 0 | 0 | 0 | 114.4 | A887 S888 T889 G890 | P885-A887 PolarHBondContact O-N 3.48Å; P885-S888 PolarHBondContact O-N 3.41Å; P885-T889 HydrophobicContact CB-CG2 4.44Å; P885-T889 WeakPolarHBondContact O-CA 3.39Å; P885-T889 WeakPolarHBondContact O-CB 3.35Å; P885-T889 PolarHBondContact O-N 3.44Å; P885-T889 PolarHBondContact O-OG1 3.22Å; P885-G890 PolarHBondContact O-N 2.76Å; P885-G890 VanDerWaalsContact O-N 3.17Å |
| 886 | A | 41.5 | Very low | 71.7 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -59.8 | -30.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S884 G890 | S884-A886 PolarHBondContact O-N 3.37Å; A886-G890 VanDerWaalsContact O-CA 3.31Å; A886-G890 WeakPolarHBondContact O-CA 3.3Å; A886-G890 PolarHBondContact O-N 3.04Å |
| 887 | A | 43.2 | Very low | 71.8 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 53% | 0.529 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -81.2 | -16.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S884 P885 | S884-A887 PolarHBondContact O-N 3.4Å; P885-A887 PolarHBondContact O-N 3.48Å |
| 888 | S | 41.5 | Very low | 72.1 | Confident | 98 Ų | 98 | 41.3 Ų | 41.3 | 69% | 0.685 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | -23.1 | -175.4 | 61.6 | 0 | 0 | 0 | 0 | 115.5 | P885 | P885-S888 PolarHBondContact O-N 3.41Š|
| 889 | T | 46.8 | Very low | 72.3 | Confident | 82 Ų | 82 | 41 Ų | 41 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -15.7 | -179.8 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | P885 V891 | P885-T889 HydrophobicContact CB-CG2 4.44Å; P885-T889 WeakPolarHBondContact O-CA 3.39Å; P885-T889 WeakPolarHBondContact O-CB 3.35Å; P885-T889 PolarHBondContact O-N 3.44Å; P885-T889 PolarHBondContact O-OG1 3.22Å; T889-V891 VanDerWaalsContact C-N 3.33Å; T889-V891 PolarHBondContact O-N 3.34Å |
| 890 | G | 56.8 | Low | 72.8 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | trans | 64.2 | 26.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | P885 A886 K997 Q1000 | P885-G890 PolarHBondContact O-N 2.76Å; P885-G890 VanDerWaalsContact O-N 3.17Å; A886-G890 VanDerWaalsContact O-CA 3.31Å; A886-G890 WeakPolarHBondContact O-CA 3.3Å; A886-G890 PolarHBondContact O-N 3.04Å; G890-K997 WeakPolarHBondContact O-CD 3.43Å; G890-K997 PolarHBondContact O-NZ 3.02Å; G890-Q1000 PolarHBondContact O-OE1 3.44Å | ||
| 891 | V | 68.1 | Low | 73.4 | Confident | 71 Ų | 71 | 39.5 Ų | 39.5 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | trans | -86.6 | 129 | 170.4 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | T889 | T889-V891 VanDerWaalsContact C-N 3.33Å; T889-V891 PolarHBondContact O-N 3.34Å | ||
| 892 | F | 83.1 | Confident | 74 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | trans | -93.5 | 129 | 176.5 | -51.8 | -64 | 0 | 0 | 0 | 111.3 | L964 L968 R993 L994 K997 Q1000 A1004 | F892-L964 HydrophobicContact CB-CD1 4.27Å; F892-L968 HydrophobicContact CE1-CD2 4.34Å; F892-R993 HydrophobicContact CE1-CB 4.35Å; F892-R993 HydrophobicContact CZ-CB 3.99Å; F892-L994 HydrophobicContact CB-CD2 4.32Å; F892-L994 HydrophobicContact CD1-CD2 3.74Å; F892-L994 HydrophobicContact CD2-CD2 3.61Å; F892-L994 HydrophobicContact CE1-CD2 3.89Å; F892-L994 HydrophobicContact CE2-CD2 3.74Å; F892-L994 HydrophobicContact CG-CD2 3.61Å; F892-L994 HydrophobicContact CZ-CD2 3.89Å; F892-L994 HydrophobicContact CZ-CG 4.42Å; F892-K997 HydrophobicContact CE2-CB 4.1Å; F892-Q1000 HydrophobicContact CD2-CB 4.01Å; F892-A1004 HydrophobicContact CB-CB 3.73Å; F892-A1004 WeakPolarHBondContact O-CB 3.44Å | ||
| 893 | S | 83.6 | Confident | 74.8 | Confident | 71 Ų | 71 | 34 Ų | 34 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | trans | -158.8 | 144.3 | 174.7 | 69.1 | 0 | 0 | 0 | 0 | 111.5 | Q1007 | S893-Q1007 VanDerWaalsContact CB-OE1 3.28Š| ||
| 894 | V | 89.7 | Confident | 76.2 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | trans | -110.8 | 117.8 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | P898 V899 L963 L964 L1008 R1011 | V894-P898 HydrophobicContact CG1-CG 3.72Å; V894-V899 HydrophobicContact CG1-CG2 4.04Å; V894-L963 HydrophobicContact CG1-CB 4.14Å; V894-L964 HydrophobicContact CG2-CB 4.08Å; V894-L964 HydrophobicContact CG2-CD1 4.01Å; V894-L1008 HydrophobicContact CB-CD1 4.11Å; V894-L1008 HydrophobicContact CG1-CD1 3.97Å; V894-L1008 HydrophobicContact CG2-CD1 4.4Å; V894-L1008 HydrophobicContact CG2-CD2 4.29Å; V894-R1011 PolarHBondContact O-NH1 3.3Å | ||
| 895 | G | 88.6 | Confident | 78.3 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | trans | -66.1 | 170.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P898 V899 | G895-P898 VanDerWaalsContact O-CD 3.25Å; G895-P898 WeakPolarHBondContact O-CD 3.43Å; G895-P898 VanDerWaalsContact O-CG 3.24Å; G895-P898 WeakPolarHBondContact O-CG 3.42Å; G895-V899 WeakPolarHBondContact O-CG2 3.32Å | ||
| 896 | W | 91.8 | Very high | 80.8 | Confident | 32 Ų | 32 | 26.8 Ų | 26.8 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -36.4 | -178.6 | -68.9 | 101.6 | 0 | 0 | 0 | 114.3 | F453 L544 V899 A900 R1011 F1014 | F453-W896 AromaticContact CD2-CH2 3.87Å; F453-W896 HydrophobicContact CD2-CH2 3.87Å; F453-W896 AromaticContact CD2-CZ2 3.93Å; F453-W896 HydrophobicContact CD2-CZ2 3.93Å; F453-W896 HydrophobicContact CE2-CH2 4.05Å; F453-W896 AromaticContact CE2-CZ2 3.66Å; F453-W896 HydrophobicContact CE2-CZ2 3.66Å; L544-W896 HydrophobicContact CD1-CD2 4.45Å; L544-W896 HydrophobicContact CD2-CB 4.43Å; L544-W896 HydrophobicContact CD2-CD2 3.83Å; L544-W896 HydrophobicContact CD2-CE3 3.61Å; L544-W896 HydrophobicContact CD2-CG 4.22Å; L544-W896 HydrophobicContact CD2-CZ3 4.09Å; L544-W896 HydrophobicContact CG-CD2 4.39Å; L544-W896 HydrophobicContact CG-CG 4.37Å; W896-V899 PolarHBondContact O-N 3.45Å; W896-A900 WeakPolarHBondContact O-CB 3.5Å; W896-A900 PolarHBondContact O-N 3.07Å; W896-R1011 HydrophobicContact CD2-CG 4.2Å; W896-R1011 HydrophobicContact CE3-CB 4.02Å; W896-R1011 HydrophobicContact CE3-CG 3.9Å; W896-R1011 HydrophobicContact CH2-CB 4.17Å; W896-R1011 HydrophobicContact CH2-CG 3.59Å; W896-R1011 HydrophobicContact CZ2-CG 3.86Å; W896-R1011 HydrophobicContact CZ3-CB 3.71Å; W896-R1011 HydrophobicContact CZ3-CG 3.59Å; W896-F1014 AromaticContact CH2-CD1 3.94Å; W896-F1014 HydrophobicContact CH2-CD1 3.94Å; W896-F1014 HydrophobicContact CH2-CG 4.37Å; W896-F1014 HydrophobicContact CZ3-CB 4.44Å; W896-F1014 AromaticContact CZ3-CD1 3.73Å; W896-F1014 HydrophobicContact CZ3-CD1 3.73Å; W896-F1014 HydrophobicContact CZ3-CE1 4.47Å; W896-F1014 HydrophobicContact CZ3-CG 4.4Å |
| 897 | T | 93.3 | Very high | 83.4 | Confident | 21 Ų | 21 | 25.9 Ų | 25.9 | 13% | 0.129 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.8 | -53.7 | -178.3 | -50.5 | 0 | 0 | 0 | 0 | 114.1 | S543 L574 V578 V899 A900 L901 | S543-T897 WeakPolarHBondContact CB-OG1 3.34Å; L574-T897 HydrophobicContact CD1-CG2 4.19Å; L574-T897 HydrophobicContact CG-CG2 4.33Å; V578-T897 HydrophobicContact CG2-CG2 3.86Å; T897-V899 VanDerWaalsContact C-N 3.29Å; T897-V899 PolarHBondContact O-N 3.5Å; T897-A900 PolarHBondContact O-N 3.01Å; T897-L901 HydrophobicContact CG2-CD1 4.17Å; T897-L901 WeakPolarHBondContact O-CG 3.35Å; T897-L901 PolarHBondContact O-N 3.25Å |
| 898 | P | 95.1 | Very high | 85.9 | Confident | 17 Ų | 17 | 22.8 Ų | 22.8 | 11% | 0.11 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.2 | -34.9 | 178.8 | 24.9 | -36.2 | 0 | 0 | 0 | 112.6 | H875 V894 G895 W902 L963 | H875-P898 HydrophobicContact CB-CB 4.15Å; V894-P898 HydrophobicContact CG1-CG 3.72Å; G895-P898 VanDerWaalsContact O-CD 3.25Å; G895-P898 WeakPolarHBondContact O-CD 3.43Å; G895-P898 VanDerWaalsContact O-CG 3.24Å; G895-P898 WeakPolarHBondContact O-CG 3.42Å; P898-W902 VanDerWaalsContact O-CB 3.24Å; P898-W902 WeakPolarHBondContact O-CB 3.47Å; P898-W902 PolarHBondContact O-N 3.45Å; P898-L963 HydrophobicContact CB-CD2 4.19Å |
| 899 | V | 96.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | V894 G895 W896 T897 W902 S903 L963 L1008 R1011 Y1012 I1015 | V894-V899 HydrophobicContact CG1-CG2 4.04Å; G895-V899 WeakPolarHBondContact O-CG2 3.32Å; W896-V899 PolarHBondContact O-N 3.45Å; T897-V899 VanDerWaalsContact C-N 3.29Å; T897-V899 PolarHBondContact O-N 3.5Å; V899-W902 WeakPolarHBondContact O-CB 3.36Å; V899-W902 PolarHBondContact O-N 2.98Å; V899-S903 PolarHBondContact O-N 3.22Å; V899-S903 PolarHBondContact O-OG 3.09Å; V899-L963 HydrophobicContact CG2-CD1 4.4Å; V899-L1008 HydrophobicContact CG2-CD1 3.73Å; V899-R1011 HydrophobicContact CG1-CB 4.12Å; V899-R1011 HydrophobicContact CG2-CB 4.28Å; V899-Y1012 HydrophobicContact CG1-CD2 4.28Å; V899-I1015 HydrophobicContact CB-CD1 4.35Å; V899-I1015 HydrophobicContact CG1-CD1 3.92Å |
| 900 | A | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | P547 L574 W896 T897 W902 S903 L904 I1015 | P547-A900 HydrophobicContact CG-CB 3.89Å; L574-A900 HydrophobicContact CD2-CB 3.69Å; W896-A900 WeakPolarHBondContact O-CB 3.5Å; W896-A900 PolarHBondContact O-N 3.07Å; T897-A900 PolarHBondContact O-N 3.01Å; A900-W902 VanDerWaalsContact C-N 3.32Å; A900-W902 PolarHBondContact O-N 3.34Å; A900-S903 WeakPolarHBondContact CA-OG 3.27Å; A900-S903 PolarHBondContact O-N 3.36Å; A900-S903 PolarHBondContact O-OG 2.82Å; A900-L904 WeakPolarHBondContact O-CG 3.2Å; A900-L904 PolarHBondContact O-N 3.29Å; A900-I1015 HydrophobicContact CB-CD1 3.92Å |
| 901 | L | 96.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 173.8 | -73.1 | 171.2 | 0 | 0 | 0 | 111.7 | L571 L574 A575 V578 L871 T897 S903 L904 A905 | L571-L901 HydrophobicContact CD1-CB 4.46Å; L571-L901 HydrophobicContact CD1-CD2 3.82Å; L571-L901 WeakPolarHBondContact CD1-O 3.39Å; L574-L901 HydrophobicContact CB-CD2 3.75Å; L574-L901 HydrophobicContact CD2-CD2 3.88Å; L574-L901 HydrophobicContact CD2-CG 3.89Å; L574-L901 HydrophobicContact CG-CD2 3.72Å; L574-L901 HydrophobicContact CG-CG 3.99Å; A575-L901 HydrophobicContact CB-CD2 4.04Å; V578-L901 HydrophobicContact CG2-CD1 4.32Å; L871-L901 HydrophobicContact CD2-CB 4.07Å; L871-L901 HydrophobicContact CD2-CD1 4.34Å; T897-L901 HydrophobicContact CG2-CD1 4.17Å; T897-L901 WeakPolarHBondContact O-CG 3.35Å; T897-L901 PolarHBondContact O-N 3.25Å; L901-S903 VanDerWaalsContact C-N 3.35Å; L901-S903 PolarHBondContact O-N 3.48Å; L901-L904 PolarHBondContact O-N 3.22Å; L901-A905 WeakPolarHBondContact O-CB 3.37Å; L901-A905 PolarHBondContact O-N 3.39Å |
| 902 | W | 97.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 177.9 | -161.3 | -102.3 | 0 | 0 | 0 | 112.6 | M868 L871 L872 P898 V899 A900 A906 F956 L963 | M868-W902 HydrophobicContact CB-CH2 4.03Å; M868-W902 HydrophobicContact CB-CZ3 4.24Å; M868-W902 HydrophobicContact CE-CH2 3.46Å; M868-W902 VanDerWaalsContact CE-CH2 3.46Å; M868-W902 HydrophobicContact CE-CZ2 3.37Å; M868-W902 HydrophobicContact CG-CH2 4.09Å; M868-W902 HydrophobicContact CG-CZ3 4.42Å; L871-W902 HydrophobicContact CB-CE3 4.34Å; L871-W902 HydrophobicContact CB-CZ3 4.38Å; L871-W902 HydrophobicContact CD1-CE3 4.38Å; L872-W902 HydrophobicContact CD1-CH2 4.03Å; L872-W902 HydrophobicContact CD1-CZ3 4.27Å; L872-W902 HydrophobicContact CD2-CH2 4.19Å; L872-W902 HydrophobicContact CD2-CZ3 4.07Å; L872-W902 HydrophobicContact CG-CH2 3.98Å; L872-W902 HydrophobicContact CG-CZ3 3.75Å; P898-W902 VanDerWaalsContact O-CB 3.24Å; P898-W902 WeakPolarHBondContact O-CB 3.47Å; P898-W902 PolarHBondContact O-N 3.45Å; V899-W902 WeakPolarHBondContact O-CB 3.36Å; V899-W902 PolarHBondContact O-N 2.98Å; A900-W902 VanDerWaalsContact C-N 3.32Å; A900-W902 PolarHBondContact O-N 3.34Å; W902-A906 PolarHBondContact O-N 2.89Å; W902-A906 VanDerWaalsContact O-N 3.17Å; W902-F956 AromaticContact CD1-CD1 3.75Å; W902-F956 AromaticContact CD2-CD1 3.61Å; W902-F956 HydrophobicContact CD2-CD1 3.61Å; W902-F956 HydrophobicContact CD2-CE1 4.03Å; W902-F956 AromaticContact CE2-CD1 3.5Å; W902-F956 HydrophobicContact CE3-CD1 4.19Å; W902-F956 HydrophobicContact CE3-CE1 4.14Å; W902-F956 AromaticContact CG-CD1 3.8Å; W902-F956 HydrophobicContact CG-CD1 3.8Å; W902-F956 HydrophobicContact CG-CE1 4.43Å; W902-F956 HydrophobicContact CZ2-CD1 4.05Å; W902-F956 HydrophobicContact CZ3-CE1 4.43Å; W902-F956 AromaticContact NE1-CD1 3.56Å; W902-F956 PolarHBondContact NE1-O 2.89Å; W902-F956 VanDerWaalsContact O-CD1 3.23Å; W902-F956 WeakPolarHBondContact O-CD1 3.49Å; W902-L963 HydrophobicContact CB-CD1 3.95Å; W902-L963 HydrophobicContact CD2-CD1 4.09Å; W902-L963 HydrophobicContact CD2-CD2 4.22Å; W902-L963 HydrophobicContact CD2-CG 4.21Å; W902-L963 HydrophobicContact CE3-CD2 3.87Å; W902-L963 HydrophobicContact CE3-CG 4.33Å; W902-L963 HydrophobicContact CG-CD1 3.84Å; W902-L963 HydrophobicContact CG-CG 4.48Å; W902-L963 HydrophobicContact CZ3-CD2 4.33Å |
| 903 | S | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.8 | -35.7 | 176.9 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | V899 A900 L901 A906 S907 I1015 | V899-S903 PolarHBondContact O-N 3.22Å; V899-S903 PolarHBondContact O-OG 3.09Å; A900-S903 WeakPolarHBondContact CA-OG 3.27Å; A900-S903 PolarHBondContact O-N 3.36Å; A900-S903 PolarHBondContact O-OG 2.82Å; L901-S903 VanDerWaalsContact C-N 3.35Å; L901-S903 PolarHBondContact O-N 3.48Å; S903-A906 PolarHBondContact O-N 3.39Å; S903-S907 PolarHBondContact O-N 2.98Å; S903-S907 PolarHBondContact O-OG 3.24Å; S903-I1015 WeakPolarHBondContact OG-CG2 3.29Å |
| 904 | L | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.3 | -41.3 | 176.9 | -72.6 | 168 | 0 | 0 | 0 | 111 | V546 V567 L570 L571 L574 A900 L901 A906 S907 Q908 | V546-L904 HydrophobicContact CG1-CD1 3.94Å; V567-L904 HydrophobicContact CG1-CB 4.39Å; V567-L904 HydrophobicContact CG1-CD2 4.08Å; V567-L904 WeakPolarHBondContact CG1-O 3.45Å; L570-L904 HydrophobicContact CB-CD1 4.47Å; L570-L904 HydrophobicContact CB-CD2 4.34Å; L571-L904 HydrophobicContact CB-CB 4.14Å; L571-L904 HydrophobicContact CD1-CB 3.96Å; L574-L904 HydrophobicContact CD2-CD1 4.08Å; A900-L904 WeakPolarHBondContact O-CG 3.2Å; A900-L904 PolarHBondContact O-N 3.29Å; L901-L904 PolarHBondContact O-N 3.22Å; L904-A906 PolarHBondContact O-N 3.33Å; L904-S907 PolarHBondContact O-N 2.93Å; L904-Q908 PolarHBondContact O-N 3.27Å |
| 905 | A | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L571 E867 L871 L901 S907 Q908 F909 F956 | L571-A905 HydrophobicContact CD1-CB 4.25Å; L571-A905 HydrophobicContact CD2-CB 4.28Å; E867-A905 WeakPolarHBondContact OE1-CB 3.48Å; L871-A905 HydrophobicContact CD1-CB 3.66Å; L901-A905 WeakPolarHBondContact O-CB 3.37Å; L901-A905 PolarHBondContact O-N 3.39Å; A905-S907 VanDerWaalsContact C-N 3.31Å; A905-S907 PolarHBondContact O-N 2.75Å; A905-Q908 PolarHBondContact O-N 3.32Å; A905-F909 PolarHBondContact O-N 2.53Å; A905-F956 HydrophobicContact CB-CD1 4.46Å; A905-F956 HydrophobicContact CB-CE1 3.51Å; A905-F956 HydrophobicContact CB-CE2 4.48Å; A905-F956 HydrophobicContact CB-CZ 3.52Å |
| 906 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -56.2 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W902 S903 L904 F910 S952 F956 | W902-A906 PolarHBondContact O-N 2.89Å; W902-A906 VanDerWaalsContact O-N 3.17Å; S903-A906 PolarHBondContact O-N 3.39Å; L904-A906 PolarHBondContact O-N 3.33Å; A906-F910 PolarHBondContact O-N 3.27Å; A906-F910 VanDerWaalsContact O-N 3.1Å; A906-S952 WeakPolarHBondContact O-CB 3.42Å; A906-S952 PolarHBondContact O-OG 3.08Å; A906-F956 HydrophobicContact CB-CB 3.69Å; A906-F956 HydrophobicContact CB-CD1 4.26Å; A906-F956 HydrophobicContact CB-CD2 3.79Å; A906-F956 HydrophobicContact CB-CE2 4.49Å; A906-F956 HydrophobicContact CB-CG 3.66Å |
| 907 | S | 95.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 5 Ų | 5 | 7% | 0.07 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -75.3 | -33.9 | 178.8 | -58 | 0 | 0 | 0 | 0 | 113.9 | R550 S903 L904 A905 F909 F910 H911 | R550-S907 PolarHBondContact NH1-OG 3.43Å; R550-S907 VanDerWaalsContact NH2-CB 3.32Å; R550-S907 PolarHBondContact NH2-OG 3.49Å; S903-S907 PolarHBondContact O-N 2.98Å; S903-S907 PolarHBondContact O-OG 3.24Å; L904-S907 PolarHBondContact O-N 2.93Å; A905-S907 VanDerWaalsContact C-N 3.31Å; A905-S907 PolarHBondContact O-N 2.75Å; S907-F909 VanDerWaalsContact C-N 3.35Å; S907-F910 WeakPolarHBondContact O-CB 3.33Å; S907-F910 PolarHBondContact O-N 3.47Å; S907-H911 PolarHBondContact O-CD2 3.26Å; S907-H911 VanDerWaalsContact O-CD2 3.23Å |
| 908 | Q | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 172.3 | 166.6 | -87.2 | -47.5 | 0 | 0 | 110 | V567 T568 S633 E867 L904 A905 F910 H911 S912 | V567-Q908 HydrophobicContact CG1-CB 3.95Å; T568-Q908 VanDerWaalsContact OG1-CG 3.3Å; T568-Q908 WeakPolarHBondContact OG1-CG 3.32Å; S633-Q908 PolarHBondContact OG-NE2 2.91Å; E867-Q908 PolarHBondContact OE1-OE1 2.85Å; L904-Q908 PolarHBondContact O-N 3.27Å; A905-Q908 PolarHBondContact O-N 3.32Å; Q908-F910 VanDerWaalsContact C-N 3.3Å; Q908-F910 PolarHBondContact O-N 3.38Å; Q908-H911 WeakPolarHBondContact O-CB 3.38Å; Q908-H911 PolarHBondContact O-N 3.23Å; Q908-H911 VanDerWaalsContact O-N 3.08Å; Q908-S912 PolarHBondContact NE2-OG 3.3Å; Q908-S912 PolarHBondContact O-N 3.46Å; Q908-S912 PolarHBondContact O-OG 2.91Å |
| 909 | F | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -70 | -22.6 | 178.1 | -89.8 | -73.1 | 0 | 0 | 0 | 114.7 | A860 L863 L864 E867 A905 S907 H911 S912 T913 F956 | A860-F909 WeakPolarHBondContact O-CE1 3.19Å; L863-F909 HydrophobicContact CB-CE1 4.32Å; L863-F909 HydrophobicContact CB-CZ 4.22Å; L864-F909 HydrophobicContact CB-CD1 3.71Å; L864-F909 HydrophobicContact CB-CD2 4.25Å; L864-F909 HydrophobicContact CB-CE1 3.58Å; L864-F909 HydrophobicContact CB-CE2 4.12Å; L864-F909 HydrophobicContact CB-CG 4.07Å; L864-F909 HydrophobicContact CB-CZ 3.82Å; L864-F909 HydrophobicContact CD1-CB 3.85Å; L864-F909 HydrophobicContact CD1-CD1 3.86Å; L864-F909 HydrophobicContact CD1-CD2 4.35Å; L864-F909 HydrophobicContact CD1-CG 3.74Å; L864-F909 HydrophobicContact CG-CB 4.43Å; L864-F909 HydrophobicContact CG-CD1 4Å; L864-F909 HydrophobicContact CG-CD2 4.01Å; L864-F909 HydrophobicContact CG-CE1 4.31Å; L864-F909 HydrophobicContact CG-CE2 4.3Å; L864-F909 HydrophobicContact CG-CG 3.86Å; L864-F909 HydrophobicContact CG-CZ 4.47Å; L864-F909 VanDerWaalsContact N-CZ 3.34Å; E867-F909 HydrophobicContact CB-CE2 3.88Å; E867-F909 HydrophobicContact CB-CZ 4.32Å; E867-F909 VanDerWaalsContact CD-CE2 3.47Å; E867-F909 HydrophobicContact CG-CE2 4.13Å; A905-F909 PolarHBondContact O-N 2.53Å; S907-F909 VanDerWaalsContact C-N 3.35Å; F909-H911 PolarHBondContact O-N 3.44Å; F909-S912 PolarHBondContact O-N 3.42Å; F909-T913 WeakPolarHBondContact O-CG2 3.43Å; F909-T913 PolarHBondContact O-N 2.96Å; F909-T913 PolarHBondContact O-OG1 2.93Å; F909-F956 HydrophobicContact CD2-CE2 4.33Å; F909-F956 HydrophobicContact CD2-CZ 4.45Å |
| 910 | F | 96.1 | Very high | 90.4 | Very high | 14 Ų | 14 | 12.9 Ų | 12.9 | 6% | 0.061 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.4 | -43.2 | 168.4 | 167.4 | -93.7 | 0 | 0 | 0 | 110.4 | A906 S907 Q908 T913 H915 T949 S952 F1046 | A906-F910 PolarHBondContact O-N 3.27Å; A906-F910 VanDerWaalsContact O-N 3.1Å; S907-F910 WeakPolarHBondContact O-CB 3.33Å; S907-F910 PolarHBondContact O-N 3.47Å; Q908-F910 VanDerWaalsContact C-N 3.3Å; Q908-F910 PolarHBondContact O-N 3.38Å; F910-T913 PolarHBondContact O-OG1 3.1Å; F910-H915 HydrophobicContact CD1-CB 4.41Å; F910-H915 HydrophobicContact CD2-CB 3.99Å; F910-H915 HydrophobicContact CE1-CB 4Å; F910-H915 HydrophobicContact CE2-CB 3.54Å; F910-H915 HydrophobicContact CG-CB 4.4Å; F910-H915 HydrophobicContact CZ-CB 3.54Å; F910-H915 WeakPolarHBondContact O-CB 3.16Å; F910-H915 PolarHBondContact O-N 3.39Å; F910-T949 WeakPolarHBondContact CD2-O 3.36Å; F910-T949 HydrophobicContact CE2-CG2 4.06Å; F910-T949 WeakPolarHBondContact CE2-O 3.36Å; F910-S952 WeakPolarHBondContact CA-OG 3.42Å; F910-S952 PolarHBondContact N-OG 3Å; F910-F1046 HydrophobicContact CE2-CD1 4.01Å; F910-F1046 HydrophobicContact CE2-CE1 4.32Å; F910-F1046 AromaticContact CZ-CD1 3.68Å; F910-F1046 HydrophobicContact CZ-CD1 3.68Å; F910-F1046 AromaticContact CZ-CE1 3.98Å; F910-F1046 HydrophobicContact CZ-CE1 3.98Å |
| 911 | H | 94.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 14.2 Ų | 14.2 | 3% | 0.032 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -75.5 | -36.5 | 177 | -64.4 | -71.8 | 0 | 0 | 0 | 112.8 | E563 G564 H637 S907 Q908 F909 T913 G914 H915 | E563-H911 IonicContact OE2-NE2 3.6Å; G564-H911 WeakPolarHBondContact CA-CD2 3.18Å; G564-H911 PolarHBondContact N-NE2 3.25Å; H637-H911 VanDerWaalsContact CD2-C 3.49Å; H637-H911 VanDerWaalsContact CD2-CB 3.44Å; H637-H911 WeakPolarHBondContact CD2-CB 3.26Å; H637-H911 PolarHBondContact CD2-O 3.03Å; H637-H911 VanDerWaalsContact NE2-CB 3.35Å; H637-H911 WeakPolarHBondContact NE2-CB 3.44Å; S907-H911 PolarHBondContact O-CD2 3.26Å; S907-H911 VanDerWaalsContact O-CD2 3.23Å; Q908-H911 WeakPolarHBondContact O-CB 3.38Å; Q908-H911 PolarHBondContact O-N 3.23Å; Q908-H911 VanDerWaalsContact O-N 3.08Å; F909-H911 PolarHBondContact O-N 3.44Å; H911-T913 PolarHBondContact O-N 3.1Å; H911-G914 WeakPolarHBondContact O-CA 3.26Å; H911-G914 PolarHBondContact O-N 2.88Å; H911-H915 PolarHBondContact ND1-O 2.88Å |
| 912 | S | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -73.3 | -12 | 176.5 | -57.8 | 0 | 0 | 0 | 0 | 114.4 | S633 F636 Q908 F909 | S633-S912 VanDerWaalsContact CB-OG 3.29Å; S633-S912 WeakPolarHBondContact CB-OG 3.36Å; S633-S912 PolarHBondContact O-OG 3.28Å; S633-S912 PolarHBondContact OG-OG 2.93Å; F636-S912 WeakPolarHBondContact CB-O 3.45Å; Q908-S912 PolarHBondContact NE2-OG 3.3Å; Q908-S912 PolarHBondContact O-N 3.46Å; Q908-S912 PolarHBondContact O-OG 2.91Å; F909-S912 PolarHBondContact O-N 3.42Å |
| 913 | T | 92.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 5.3 | 164.1 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | L857 F861 F909 F910 H911 H915 Q923 | L857-T913 WeakPolarHBondContact CD1-O 3.31Å; F861-T913 HydrophobicContact CE2-CG2 4.1Å; F909-T913 WeakPolarHBondContact O-CG2 3.43Å; F909-T913 PolarHBondContact O-N 2.96Å; F909-T913 PolarHBondContact O-OG1 2.93Å; F910-T913 PolarHBondContact O-OG1 3.1Å; H911-T913 PolarHBondContact O-N 3.1Å; T913-H915 PolarHBondContact OG1-CD2 2.83Å; T913-H915 VanDerWaalsContact OG1-CD2 3.28Å; T913-Q923 PolarHBondContact O-NE2 3.2Å |
| 914 | G | 86.4 | Confident | 86 | Confident | 8 Ų | 8 | 20.9 Ų | 20.9 | 8% | 0.082 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 7.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L652 H911 | L652-G914 VanDerWaalsContact CD2-CA 3.46Å; H911-G914 WeakPolarHBondContact O-CA 3.26Å; H911-G914 PolarHBondContact O-N 2.88Å |
| 915 | H | 91.2 | Very high | 84.6 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | trans | -88.7 | 147 | -178.1 | -61 | -50.5 | 0 | 0 | 0 | 111.9 | H853 F910 H911 T913 Q923 N948 T949 | H853-H915 AromaticContact NE2-NE2 3.35Å; H853-H915 PolarHBondContact NE2-NE2 3.37Å; F910-H915 HydrophobicContact CD1-CB 4.41Å; F910-H915 HydrophobicContact CD2-CB 3.99Å; F910-H915 HydrophobicContact CE1-CB 4Å; F910-H915 HydrophobicContact CE2-CB 3.54Å; F910-H915 HydrophobicContact CG-CB 4.4Å; F910-H915 HydrophobicContact CZ-CB 3.54Å; F910-H915 WeakPolarHBondContact O-CB 3.16Å; F910-H915 PolarHBondContact O-N 3.39Å; H911-H915 PolarHBondContact ND1-O 2.88Å; T913-H915 PolarHBondContact OG1-CD2 2.83Å; T913-H915 VanDerWaalsContact OG1-CD2 3.28Å; H915-Q923 PolarHBondContact CE1-NE2 3.1Å; H915-Q923 PolarHBondContact CE1-OE1 3.47Å; H915-Q923 PolarHBondContact ND1-NE2 3.12Å; H915-N948 PolarHBondContact CE1-OD1 3.19Å; H915-N948 PolarHBondContact NE2-O 3.39Å; H915-N948 PolarHBondContact NE2-OD1 3.13Å; H915-T949 PolarHBondContact CD2-O 3.28Å; H915-T949 VanDerWaalsContact CD2-O 3.29Å | ||
| 916 | L | 86.3 | Confident | 83.9 | Confident | 15 Ų | 15 | 23.7 Ų | 23.7 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | trans | -127.9 | 150.2 | 173.8 | -59.9 | 167.3 | 0 | 0 | 0 | 108.2 | C639 R640 T918 S921 F1046 | C639-L916 VanDerWaalsContact O-CD1 3.3Å; C639-L916 WeakPolarHBondContact O-CD1 3.47Å; R640-L916 HydrophobicContact CG-CB 4.49Å; R640-L916 HydrophobicContact CG-CD1 3.78Å; R640-L916 HydrophobicContact CG-CD2 4.04Å; R640-L916 HydrophobicContact CG-CG 4.32Å; L916-T918 PolarHBondContact O-N 2.91Å; L916-S921 WeakPolarHBondContact CB-OG 3.3Å; L916-S921 PolarHBondContact O-OG 3.41Å; L916-F1046 WeakPolarHBondContact O-CE1 3.42Å; L916-F1046 WeakPolarHBondContact O-CZ 3.49Å | ||
| 917 | P | 87.7 | Confident | 83 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -78.6 | 57.6 | 177.1 | 33.4 | -34.5 | 0 | 0 | 0 | 110.7 | P1042 K1043 F1046 | P917-P1042 WeakPolarHBondContact O-CB 3.32Å; P917-K1043 HydrophobicContact CB-CD 4.06Å; P917-K1043 HydrophobicContact CG-CD 4.19Å; P917-F1046 HydrophobicContact CB-CB 4.06Å; P917-F1046 HydrophobicContact CB-CD2 4.3Å; P917-F1046 HydrophobicContact CB-CG 4.05Å |
| 918 | T | 74.9 | Confident | 82.1 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -140.7 | 140.3 | 177.1 | 65.1 | 0 | 0 | 0 | 0 | 110.1 | R640 L916 S921 | R640-T918 VanDerWaalsContact NH2-CG2 3.34Å; L916-T918 PolarHBondContact O-N 2.91Å; T918-S921 PolarHBondContact O-N 3.34Å; T918-S921 PolarHBondContact O-OG 2.88Å; T918-S921 WeakPolarHBondContact OG1-CB 3.49Å; T918-S921 PolarHBondContact OG1-OG 3.27Å; T918-S921 VanDerWaalsContact OG1-OG 3.12Å |
| 919 | F | 70.6 | Confident | 81.4 | Confident | 72 Ų | 72 | 29.3 Ų | 29.3 | 32% | 0.316 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -61.2 | -40.8 | -177.5 | -59.2 | -62.8 | 0 | 0 | 0 | 114.9 | F135 S921 I922 P1042 L1045 F1046 | F135-F919 AromaticContact CE1-CE2 3.91Å; F135-F919 HydrophobicContact CE1-CE2 3.91Å; F135-F919 HydrophobicContact CZ-CE2 4.26Å; F919-S921 PolarHBondContact O-N 3.45Å; F919-I922 HydrophobicContact CD1-CD1 4.13Å; F919-I922 WeakPolarHBondContact O-CB 3.27Å; F919-I922 WeakPolarHBondContact O-CG1 3.2Å; F919-I922 PolarHBondContact O-N 2.93Å; F919-P1042 HydrophobicContact CD2-CG 4.32Å; F919-P1042 HydrophobicContact CE2-CB 4.49Å; F919-P1042 HydrophobicContact CE2-CG 4.14Å; F919-L1045 HydrophobicContact CE1-CD1 4.19Å; F919-L1045 HydrophobicContact CE2-CD1 4.45Å; F919-L1045 HydrophobicContact CZ-CD1 3.48Å; F919-L1045 VanDerWaalsContact CZ-CD1 3.48Å; F919-F1046 HydrophobicContact CD1-CE2 4.47Å |
| 920 | P | 60.2 | Low | 80.7 | Confident | 111 Ų | 111 | 29.5 Ų | 29.5 | 72% | 0.721 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -64 | -21.8 | 178.8 | -23.6 | 35.6 | 0 | 0 | 0 | 113.6 | I922 | P920-I922 VanDerWaalsContact C-N 3.32Š|
| 921 | S | 70.8 | Confident | 79.9 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -83.1 | -5.3 | -179.7 | 75.5 | 0 | 0 | 0 | 0 | 114.3 | L916 T918 F919 Q923 | L916-S921 WeakPolarHBondContact CB-OG 3.3Å; L916-S921 PolarHBondContact O-OG 3.41Å; T918-S921 PolarHBondContact O-N 3.34Å; T918-S921 PolarHBondContact O-OG 2.88Å; T918-S921 WeakPolarHBondContact OG1-CB 3.49Å; T918-S921 PolarHBondContact OG1-OG 3.27Å; T918-S921 VanDerWaalsContact OG1-OG 3.12Å; F919-S921 PolarHBondContact O-N 3.45Å; S921-Q923 PolarHBondContact O-N 3.45Å |
| 922 | I | 76.6 | Confident | 78.5 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | trans | -60.8 | 125.7 | 179.2 | -66 | 171.6 | 0 | 0 | 0 | 109.3 | F919 P920 W924 V945 F1046 | F919-I922 HydrophobicContact CD1-CD1 4.13Å; F919-I922 WeakPolarHBondContact O-CB 3.27Å; F919-I922 WeakPolarHBondContact O-CG1 3.2Å; F919-I922 PolarHBondContact O-N 2.93Å; P920-I922 VanDerWaalsContact C-N 3.32Å; I922-W924 VanDerWaalsContact C-N 3.28Å; I922-W924 HydrophobicContact CB-CZ2 4.18Å; I922-W924 HydrophobicContact CD1-CZ2 3.98Å; I922-W924 HydrophobicContact CG2-CD2 3.82Å; I922-W924 HydrophobicContact CG2-CE3 4.3Å; I922-W924 HydrophobicContact CG2-CG 4.22Å; I922-W924 HydrophobicContact CG2-CH2 4.3Å; I922-W924 HydrophobicContact CG2-CZ2 3.83Å; I922-W924 PolarHBondContact O-N 2.9Å; I922-V945 HydrophobicContact CG2-CG1 3.49Å; I922-V945 VanDerWaalsContact CG2-CG1 3.49Å; I922-F1046 HydrophobicContact CD1-CZ 4.32Å; I922-F1046 HydrophobicContact CG1-CZ 3.94Å | ||
| 923 | Q | 76.5 | Confident | 76.9 | Confident | 41 Ų | 41 | 40.4 Ų | 40.4 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | trans | -79.6 | 72.9 | -178.8 | -62.2 | 178.8 | 7.9 | 0 | 0 | 111.2 | T913 H915 S921 G925 A926 N948 | T913-Q923 PolarHBondContact O-NE2 3.2Å; H915-Q923 PolarHBondContact CE1-NE2 3.1Å; H915-Q923 PolarHBondContact CE1-OE1 3.47Å; H915-Q923 PolarHBondContact ND1-NE2 3.12Å; S921-Q923 PolarHBondContact O-N 3.45Å; Q923-G925 PolarHBondContact O-N 3.31Å; Q923-A926 WeakPolarHBondContact O-CB 3.28Å; Q923-A926 PolarHBondContact O-N 3.33Å; Q923-A926 VanDerWaalsContact O-N 3.12Å; Q923-N948 PolarHBondContact OE1-ND2 2.76Å | ||
| 924 | W | 69.9 | Low | 75.4 | Confident | 80 Ų | 80 | 41.7 Ų | 41.7 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -57.4 | -20.2 | -177.4 | -65.6 | 105.5 | 0 | 0 | 0 | 114.8 | F142 A143 I922 A926 A927 V945 | F142-W924 HydrophobicContact CB-CH2 3.78Å; F142-W924 HydrophobicContact CB-CZ2 4.29Å; F142-W924 HydrophobicContact CB-CZ3 4.11Å; F142-W924 HydrophobicContact CD1-CH2 4.47Å; F142-W924 WeakPolarHBondContact O-CZ2 3.44Å; A143-W924 HydrophobicContact CB-CG 4.43Å; I922-W924 VanDerWaalsContact C-N 3.28Å; I922-W924 HydrophobicContact CB-CZ2 4.18Å; I922-W924 HydrophobicContact CD1-CZ2 3.98Å; I922-W924 HydrophobicContact CG2-CD2 3.82Å; I922-W924 HydrophobicContact CG2-CE3 4.3Å; I922-W924 HydrophobicContact CG2-CG 4.22Å; I922-W924 HydrophobicContact CG2-CH2 4.3Å; I922-W924 HydrophobicContact CG2-CZ2 3.83Å; I922-W924 PolarHBondContact O-N 2.9Å; W924-A926 PolarHBondContact O-N 3.34Å; W924-A926 VanDerWaalsContact O-N 3.12Å; W924-A927 VanDerWaalsContact O-CB 3.29Å; W924-A927 WeakPolarHBondContact O-CB 3.49Å; W924-A927 PolarHBondContact O-N 2.91Å; W924-V945 HydrophobicContact CE3-CG1 4.34Å; W924-V945 HydrophobicContact CE3-CG2 3.92Å; W924-V945 HydrophobicContact CZ3-CG1 4.28Å; W924-V945 HydrophobicContact CZ3-CG2 4.25Å |
| 925 | G | 67.7 | Low | 74.6 | Confident | 56 Ų | 56 | 44 Ų | 44 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -54.1 | -29.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q923 A927 F928 | Q923-G925 PolarHBondContact O-N 3.31Å; G925-A927 PolarHBondContact O-N 3.41Å; G925-F928 PolarHBondContact O-N 3.47Å; G925-F928 VanDerWaalsContact O-N 3.07Å |
| 926 | A | 82.8 | Confident | 73.3 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -58.5 | -29.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L852 Q923 W924 F928 N948 | L852-A926 HydrophobicContact CB-CB 4.37Å; Q923-A926 WeakPolarHBondContact O-CB 3.28Å; Q923-A926 PolarHBondContact O-N 3.33Å; Q923-A926 VanDerWaalsContact O-N 3.12Å; W924-A926 PolarHBondContact O-N 3.34Å; W924-A926 VanDerWaalsContact O-N 3.12Å; A926-F928 PolarHBondContact O-N 2.78Å; A926-N948 HydrophobicContact CB-CB 3.54Å |
| 927 | A | 76.9 | Confident | 72.5 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -62.1 | -29.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W924 G925 H935 P941 V945 | W924-A927 VanDerWaalsContact O-CB 3.29Å; W924-A927 WeakPolarHBondContact O-CB 3.49Å; W924-A927 PolarHBondContact O-N 2.91Å; G925-A927 PolarHBondContact O-N 3.41Å; A927-H935 PolarHBondContact O-NE2 3.11Å; A927-P941 HydrophobicContact CB-CB 3.69Å; A927-V945 HydrophobicContact CB-CG2 3.91Å |
| 928 | F | 76.8 | Confident | 71.8 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -100 | 1.5 | -169.7 | -59.1 | -80.1 | 0 | 0 | 0 | 113.8 | G925 A926 G930 F931 | G925-F928 PolarHBondContact O-N 3.47Å; G925-F928 VanDerWaalsContact O-N 3.07Å; A926-F928 PolarHBondContact O-N 2.78Å; F928-G930 PolarHBondContact O-N 2.95Å; F928-F931 CarbonylContact O-C 3.54Å; F928-F931 PolarHBondContact O-N 3.12Å |
| 929 | V | 81.9 | Confident | 72.1 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 109.1 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | P742 F746 L851 L852 F931 | P742-V929 HydrophobicContact CB-CG1 3.95Å; F746-V929 HydrophobicContact CE2-CG1 4.16Å; F746-V929 WeakPolarHBondContact CE2-O 3.43Å; F746-V929 HydrophobicContact CZ-CG1 4.05Å; L851-V929 HydrophobicContact CG-CG1 4.14Å; L852-V929 HydrophobicContact CD2-CB 4.3Å; V929-F931 VanDerWaalsContact C-N 3.35Å; V929-F931 VanDerWaalsContact O-CD2 3.31Å; V929-F931 WeakPolarHBondContact O-CD2 3.28Å |
| 930 | G | 80.8 | Confident | 72.7 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 5.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R743 F928 | R743-G930 PolarHBondContact NE-O 3.24Å; R743-G930 PolarHBondContact NH2-O 2.93Å; F928-G930 PolarHBondContact O-N 2.95Å |
| 931 | F | 79.6 | Confident | 73.6 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 23% | 0.232 | 35% | 0.346 | C | S | . | . | trans | -140.7 | 63.3 | -179.4 | -56.8 | -85.5 | 0 | 0 | 0 | 111.2 | F928 V929 D933 G934 H935 L940 L944 | F928-F931 CarbonylContact O-C 3.54Å; F928-F931 PolarHBondContact O-N 3.12Å; V929-F931 VanDerWaalsContact C-N 3.35Å; V929-F931 VanDerWaalsContact O-CD2 3.31Å; V929-F931 WeakPolarHBondContact O-CD2 3.28Å; F931-D933 VanDerWaalsContact C-N 3.3Å; F931-D933 PolarHBondContact O-N 3.02Å; F931-G934 PolarHBondContact O-N 2.87Å; F931-G934 VanDerWaalsContact O-N 3.17Å; F931-H935 AromaticContact CD1-CE1 3.9Å; F931-H935 AromaticContact CD2-CE1 3.51Å; F931-H935 AromaticContact CG-CE1 3.38Å; F931-H935 WeakPolarHBondContact CG-CE1 3.39Å; F931-H935 AromaticContact CG-NE2 3.9Å; F931-L940 HydrophobicContact CE1-CD2 4.11Å; F931-L940 HydrophobicContact CE2-CD2 3.98Å; F931-L940 HydrophobicContact CZ-CD2 3.68Å; F931-L944 HydrophobicContact CD2-CD1 4.41Å; F931-L944 HydrophobicContact CE2-CD1 4.41Å | ||
| 932 | P | 64.1 | Low | 74 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.1 | -174.6 | 27.8 | -35.1 | 0 | 0 | 0 | 113.5 | L739 G934 | L739-P932 VanDerWaalsContact CD1-CD 3.46Å; L739-P932 HydrophobicContact CD1-CG 3.92Å; P932-G934 PolarHBondContact O-N 3.42Å |
| 933 | D | 59.7 | Low | 74.7 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 68% | 0.679 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 7 | 178.5 | -51.1 | -61.2 | 0 | 0 | 0 | 112.9 | R735 F931 | R735-D933 IonicContact NH2-OD1 3Å; F931-D933 VanDerWaalsContact C-N 3.3Å; F931-D933 PolarHBondContact O-N 3.02Å |
| 934 | G | 62.7 | Low | 75.3 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | trans | 88.4 | -167.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F931 P932 | F931-G934 PolarHBondContact O-N 2.87Å; F931-G934 VanDerWaalsContact O-N 3.17Å; P932-G934 PolarHBondContact O-N 3.42Å | ||
| 935 | H | 69 | Low | 76.2 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | trans | -125.3 | 147.3 | -175.8 | -65 | -91.6 | 0 | 0 | 0 | 111.4 | A927 F931 G937 P941 | A927-H935 PolarHBondContact O-NE2 3.11Å; F931-H935 AromaticContact CD1-CE1 3.9Å; F931-H935 AromaticContact CD2-CE1 3.51Å; F931-H935 AromaticContact CG-CE1 3.38Å; F931-H935 WeakPolarHBondContact CG-CE1 3.39Å; F931-H935 AromaticContact CG-NE2 3.9Å; H935-G937 VanDerWaalsContact C-N 3.27Å; H935-G937 WeakPolarHBondContact CB-O 3.49Å; H935-G937 PolarHBondContact O-N 3.17Å; H935-P941 HydrophobicContact CB-CG 4.15Å | ||
| 936 | S | 63.7 | Low | 77.4 | Confident | 142 Ų | 142 | 56 Ų | 56 | 99% | 0.993 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -80.8 | -3.3 | 172.3 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 937 | G | 69.7 | Low | 78.1 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -156.8 | 168 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H935 P941 | H935-G937 VanDerWaalsContact C-N 3.27Å; H935-G937 WeakPolarHBondContact CB-O 3.49Å; H935-G937 PolarHBondContact O-N 3.17Å; G937-P941 VanDerWaalsContact O-CD 3.29Å; G937-P941 WeakPolarHBondContact O-CD 3.26Å; G937-P941 WeakPolarHBondContact O-CG 3.48Å |
| 938 | T | 72.5 | Confident | 79 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -93.2 | -16.9 | -170.7 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | P941 A942 | T938-P941 WeakPolarHBondContact O-CD 3.41Å; T938-P941 WeakPolarHBondContact O-CG 3.48Å; T938-A942 WeakPolarHBondContact O-CB 3.49Å; T938-A942 PolarHBondContact O-N 3.22Å |
| 939 | F | 81.7 | Confident | 79.8 | Confident | 165 Ų | 165 | 53.6 Ų | 53.6 | 72% | 0.724 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65 | -53.8 | -174.8 | 179.5 | -99.4 | 0 | 0 | 0 | 113 | A942 C943 | F939-A942 PolarHBondContact O-N 3Å; F939-C943 VanDerWaalsContact CZ-SG 3.58Å; F939-C943 PolarHBondContact O-N 3.23Å; F939-C943 PolarHBondContact O-SG 2.86Å |
| 940 | L | 83.7 | Confident | 80.6 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 38% | 0.382 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.4 | -51 | 179.7 | -179.4 | 60 | 0 | 0 | 0 | 112.8 | F931 A942 C943 L944 | F931-L940 HydrophobicContact CE1-CD2 4.11Å; F931-L940 HydrophobicContact CE2-CD2 3.98Å; F931-L940 HydrophobicContact CZ-CD2 3.68Å; L940-A942 VanDerWaalsContact C-N 3.31Å; L940-A942 PolarHBondContact O-N 3.29Å; L940-C943 WeakPolarHBondContact O-CB 3.49Å; L940-C943 PolarHBondContact O-N 3.22Å; L940-C943 VanDerWaalsContact O-N 3.17Å; L940-L944 HydrophobicContact CD1-CD1 4.43Å; L940-L944 HydrophobicContact CD1-CG 4.27Å; L940-L944 HydrophobicContact CG-CD1 4.35Å; L940-L944 WeakPolarHBondContact O-CG 3.46Å; L940-L944 PolarHBondContact O-N 3.17Å |
| 941 | P | 78.3 | Confident | 81.4 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 14% | 0.143 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 177.5 | 22 | -31.6 | 0 | 0 | 0 | 112.3 | A927 H935 G937 T938 C943 L944 V945 | A927-P941 HydrophobicContact CB-CB 3.69Å; H935-P941 HydrophobicContact CB-CG 4.15Å; G937-P941 VanDerWaalsContact O-CD 3.29Å; G937-P941 WeakPolarHBondContact O-CD 3.26Å; G937-P941 WeakPolarHBondContact O-CG 3.48Å; T938-P941 WeakPolarHBondContact O-CD 3.41Å; T938-P941 WeakPolarHBondContact O-CG 3.48Å; P941-C943 PolarHBondContact O-N 2.99Å; P941-L944 PolarHBondContact O-N 3.44Å; P941-V945 VanDerWaalsContact O-CG2 3.32Å; P941-V945 WeakPolarHBondContact O-CG2 3.19Å; P941-V945 PolarHBondContact O-N 3.39Å |
| 942 | A | 80 | Confident | 82.2 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 41% | 0.405 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T938 F939 L940 S946 | T938-A942 WeakPolarHBondContact O-CB 3.49Å; T938-A942 PolarHBondContact O-N 3.22Å; F939-A942 PolarHBondContact O-N 3Å; L940-A942 VanDerWaalsContact C-N 3.31Å; L940-A942 PolarHBondContact O-N 3.29Å; A942-S946 VanDerWaalsContact O-CB 3.29Å; A942-S946 WeakPolarHBondContact O-CB 3.37Å; A942-S946 PolarHBondContact O-N 2.76Å; A942-S946 PolarHBondContact O-OG 3.47Å |
| 943 | C | 90.3 | Very high | 83.8 | Confident | 44 Ų | 44 | 48 Ų | 48 | 30% | 0.297 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.3 | -70.4 | 0 | 0 | 0 | 0 | 112 | F939 L940 P941 S946 L947 | F939-C943 VanDerWaalsContact CZ-SG 3.58Å; F939-C943 PolarHBondContact O-N 3.23Å; F939-C943 PolarHBondContact O-SG 2.86Å; L940-C943 WeakPolarHBondContact O-CB 3.49Å; L940-C943 PolarHBondContact O-N 3.22Å; L940-C943 VanDerWaalsContact O-N 3.17Å; P941-C943 PolarHBondContact O-N 2.99Å; C943-S946 PolarHBondContact O-N 3.43Å; C943-L947 WeakPolarHBondContact O-CB 3.37Å; C943-L947 VanDerWaalsContact O-CG 3.26Å; C943-L947 WeakPolarHBondContact O-CG 3.48Å; C943-L947 PolarHBondContact O-N 2.88Å |
| 944 | L | 90.4 | Very high | 85.6 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 179.7 | -65.6 | 176.7 | 0 | 0 | 0 | 111.7 | F746 L852 F931 L940 P941 L947 N948 | F746-L944 HydrophobicContact CZ-CD2 4.42Å; L852-L944 HydrophobicContact CD2-CD2 3.99Å; F931-L944 HydrophobicContact CD2-CD1 4.41Å; F931-L944 HydrophobicContact CE2-CD1 4.41Å; L940-L944 HydrophobicContact CD1-CD1 4.43Å; L940-L944 HydrophobicContact CD1-CG 4.27Å; L940-L944 HydrophobicContact CG-CD1 4.35Å; L940-L944 WeakPolarHBondContact O-CG 3.46Å; L940-L944 PolarHBondContact O-N 3.17Å; P941-L944 PolarHBondContact O-N 3.44Å; L944-L947 PolarHBondContact O-N 3.4Å; L944-N948 WeakPolarHBondContact O-CB 3.43Å; L944-N948 PolarHBondContact O-N 3.3Å |
| 945 | V | 88.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 111 | I922 W924 A927 P941 L947 N948 T949 | I922-V945 HydrophobicContact CG2-CG1 3.49Å; I922-V945 VanDerWaalsContact CG2-CG1 3.49Å; W924-V945 HydrophobicContact CE3-CG1 4.34Å; W924-V945 HydrophobicContact CE3-CG2 3.92Å; W924-V945 HydrophobicContact CZ3-CG1 4.28Å; W924-V945 HydrophobicContact CZ3-CG2 4.25Å; A927-V945 HydrophobicContact CB-CG2 3.91Å; P941-V945 VanDerWaalsContact O-CG2 3.32Å; P941-V945 WeakPolarHBondContact O-CG2 3.19Å; P941-V945 PolarHBondContact O-N 3.39Å; V945-L947 PolarHBondContact O-N 2.84Å; V945-N948 PolarHBondContact O-N 3.41Å; V945-T949 WeakPolarHBondContact O-CB 3.32Å; V945-T949 PolarHBondContact O-N 3.16Å; V945-T949 PolarHBondContact O-OG1 3.44Å |
| 946 | S | 92.9 | Very high | 88.7 | Confident | 52 Ų | 52 | 38 Ų | 38 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 177 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | A942 C943 F950 | A942-S946 VanDerWaalsContact O-CB 3.29Å; A942-S946 WeakPolarHBondContact O-CB 3.37Å; A942-S946 PolarHBondContact O-N 2.76Å; A942-S946 PolarHBondContact O-OG 3.47Å; C943-S946 PolarHBondContact O-N 3.43Å; S946-F950 WeakPolarHBondContact O-CD2 3.5Å; S946-F950 PolarHBondContact O-N 3.06Å; S946-F950 VanDerWaalsContact O-N 3.08Å |
| 947 | L | 96.4 | Very high | 90.3 | Very high | 52 Ų | 52 | 31.2 Ų | 31.2 | 27% | 0.272 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.4 | -71.4 | 174.2 | 0 | 0 | 0 | 111.3 | L849 L852 C943 L944 V945 A951 I954 F1057 | L849-L947 HydrophobicContact CD2-CB 3.96Å; L849-L947 HydrophobicContact CD2-CD2 4.36Å; L849-L947 WeakPolarHBondContact CD2-O 3.49Å; L852-L947 HydrophobicContact CD1-CB 3.6Å; L852-L947 HydrophobicContact CD1-CD1 4.36Å; C943-L947 WeakPolarHBondContact O-CB 3.37Å; C943-L947 VanDerWaalsContact O-CG 3.26Å; C943-L947 WeakPolarHBondContact O-CG 3.48Å; C943-L947 PolarHBondContact O-N 2.88Å; L944-L947 PolarHBondContact O-N 3.4Å; V945-L947 PolarHBondContact O-N 2.84Å; L947-A951 WeakPolarHBondContact O-CA 3.16Å; L947-A951 PolarHBondContact O-N 3.33Å; L947-I954 HydrophobicContact CD2-CD1 3.65Å; L947-F1057 HydrophobicContact CD2-CE2 4.15Å; L947-F1057 HydrophobicContact CD2-CZ 3.75Å |
| 948 | N | 95.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -52.8 | 174.2 | 163.7 | -83.2 | 0 | 0 | 0 | 111.4 | L852 H853 H915 Q923 A926 L944 V945 F950 A951 | L852-N948 HydrophobicContact CB-CB 4.02Å; L852-N948 PolarHBondContact O-ND2 3.47Å; H853-N948 PolarHBondContact CD2-ND2 3.4Å; H853-N948 PolarHBondContact CE1-ND2 3.1Å; H853-N948 PolarHBondContact CE1-O 3.17Å; H853-N948 VanDerWaalsContact CE1-O 3.22Å; H853-N948 PolarHBondContact NE2-ND2 3.4Å; H853-N948 PolarHBondContact NE2-O 3.12Å; H915-N948 PolarHBondContact CE1-OD1 3.19Å; H915-N948 PolarHBondContact NE2-O 3.39Å; H915-N948 PolarHBondContact NE2-OD1 3.13Å; Q923-N948 PolarHBondContact OE1-ND2 2.76Å; A926-N948 HydrophobicContact CB-CB 3.54Å; L944-N948 WeakPolarHBondContact O-CB 3.43Å; L944-N948 PolarHBondContact O-N 3.3Å; V945-N948 PolarHBondContact O-N 3.41Å; N948-F950 VanDerWaalsContact C-N 3.33Å; N948-F950 PolarHBondContact O-N 2.98Å; N948-A951 PolarHBondContact O-N 3.4Å |
| 949 | T | 95.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -36.9 | -174.9 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | F910 H915 V945 F1046 | F910-T949 WeakPolarHBondContact CD2-O 3.36Å; F910-T949 HydrophobicContact CE2-CG2 4.06Å; F910-T949 WeakPolarHBondContact CE2-O 3.36Å; H915-T949 PolarHBondContact CD2-O 3.28Å; H915-T949 VanDerWaalsContact CD2-O 3.29Å; V945-T949 WeakPolarHBondContact O-CB 3.32Å; V945-T949 PolarHBondContact O-N 3.16Å; V945-T949 PolarHBondContact O-OG1 3.44Å; T949-F1046 HydrophobicContact CG2-CD1 4.08Å; T949-F1046 HydrophobicContact CG2-CE1 3.61Å |
| 950 | F | 97.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 16.9 Ų | 16.9 | 6% | 0.057 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 22.8 | -175 | -61.5 | -64.1 | 0 | 0 | 0 | 113.9 | S946 N948 S952 N953 I954 F1046 G1050 V1053 | S946-F950 WeakPolarHBondContact O-CD2 3.5Å; S946-F950 PolarHBondContact O-N 3.06Å; S946-F950 VanDerWaalsContact O-N 3.08Å; N948-F950 VanDerWaalsContact C-N 3.33Å; N948-F950 PolarHBondContact O-N 2.98Å; F950-S952 VanDerWaalsContact C-N 3.34Å; F950-S952 PolarHBondContact O-N 2.96Å; F950-N953 HydrophobicContact CB-CB 4.36Å; F950-N953 PolarHBondContact O-N 3.16Å; F950-N953 VanDerWaalsContact O-N 3.15Å; F950-I954 HydrophobicContact CB-CD1 4.45Å; F950-I954 VanDerWaalsContact O-CG1 3.24Å; F950-I954 WeakPolarHBondContact O-CG1 3.24Å; F950-I954 PolarHBondContact O-N 3.4Å; F950-F1046 HydrophobicContact CE1-CD1 4.37Å; F950-F1046 WeakPolarHBondContact CE1-O 3.09Å; F950-F1046 HydrophobicContact CZ-CD1 4.31Å; F950-G1050 VanDerWaalsContact CE1-CA 3.42Å; F950-V1053 HydrophobicContact CB-CB 4.38Å; F950-V1053 HydrophobicContact CB-CG1 3.94Å; F950-V1053 HydrophobicContact CD2-CB 4.46Å; F950-V1053 HydrophobicContact CD2-CG2 3.87Å; F950-V1053 HydrophobicContact CE2-CG2 4.48Å; F950-V1053 HydrophobicContact CG-CB 4.5Å; F950-V1053 HydrophobicContact CG-CG2 4.38Å |
| 951 | A | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.1 | -44 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | L849 F861 L947 N948 I954 L955 | L849-A951 HydrophobicContact CB-CB 4.09Å; L849-A951 HydrophobicContact CD1-CB 4.07Å; L849-A951 HydrophobicContact CD2-CB 4.19Å; L849-A951 HydrophobicContact CG-CB 4.35Å; F861-A951 HydrophobicContact CZ-CB 4.09Å; L947-A951 WeakPolarHBondContact O-CA 3.16Å; L947-A951 PolarHBondContact O-N 3.33Å; N948-A951 PolarHBondContact O-N 3.4Å; A951-I954 PolarHBondContact O-N 3.44Å; A951-L955 WeakPolarHBondContact O-CG 3.15Å; A951-L955 PolarHBondContact O-N 3.06Å; A951-L955 VanDerWaalsContact O-N 3.12Å |
| 952 | S | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -51.7 | 176.3 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | A906 F910 F950 I954 L955 F956 | A906-S952 WeakPolarHBondContact O-CB 3.42Å; A906-S952 PolarHBondContact O-OG 3.08Å; F910-S952 WeakPolarHBondContact CA-OG 3.42Å; F910-S952 PolarHBondContact N-OG 3Å; F950-S952 VanDerWaalsContact C-N 3.34Å; F950-S952 PolarHBondContact O-N 2.96Å; S952-I954 PolarHBondContact O-N 3.31Å; S952-L955 PolarHBondContact O-N 3.48Å; S952-L955 VanDerWaalsContact O-N 3.12Å; S952-F956 VanDerWaalsContact O-CD2 3.3Å; S952-F956 WeakPolarHBondContact O-CD2 3.49Å; S952-F956 PolarHBondContact O-N 3.36Å |
| 953 | N | 97.3 | Very high | 95.9 | Very high | 17 Ų | 17 | 10.2 Ų | 10.2 | 9% | 0.091 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -55.5 | -40.2 | 178.4 | -67.6 | -15.5 | 0 | 0 | 0 | 111.8 | F950 A957 | F950-N953 HydrophobicContact CB-CB 4.36Å; F950-N953 PolarHBondContact O-N 3.16Å; F950-N953 VanDerWaalsContact O-N 3.15Å; N953-A957 WeakPolarHBondContact O-CB 3.31Å; N953-A957 PolarHBondContact O-N 3.31Å |
| 954 | I | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.3 | -53.1 | 175.5 | -70.4 | 165.8 | 0 | 0 | 0 | 111.3 | L845 L849 L947 F950 A951 S952 F956 A957 V958 V1053 F1057 | L845-I954 HydrophobicContact CD2-CG2 3.54Å; L845-I954 HydrophobicContact CG-CG2 4.2Å; L849-I954 HydrophobicContact CD1-CB 4.27Å; L849-I954 HydrophobicContact CD1-CG2 3.95Å; L849-I954 HydrophobicContact CD2-CD1 4.06Å; L947-I954 HydrophobicContact CD2-CD1 3.65Å; F950-I954 HydrophobicContact CB-CD1 4.45Å; F950-I954 VanDerWaalsContact O-CG1 3.24Å; F950-I954 WeakPolarHBondContact O-CG1 3.24Å; F950-I954 PolarHBondContact O-N 3.4Å; A951-I954 PolarHBondContact O-N 3.44Å; S952-I954 PolarHBondContact O-N 3.31Å; I954-F956 PolarHBondContact O-N 3.38Å; I954-A957 PolarHBondContact O-N 3.19Å; I954-V958 WeakPolarHBondContact O-CG2 3.44Å; I954-V958 PolarHBondContact O-N 3.38Å; I954-V1053 HydrophobicContact CD1-CG1 3.93Å; I954-V1053 HydrophobicContact CG1-CG1 3.44Å; I954-V1053 VanDerWaalsContact CG1-CG1 3.44Å; I954-F1057 HydrophobicContact CB-CD2 4.4Å; I954-F1057 HydrophobicContact CB-CG 4.33Å; I954-F1057 HydrophobicContact CD1-CD2 4.38Å; I954-F1057 HydrophobicContact CD1-CE2 3.94Å; I954-F1057 HydrophobicContact CD1-CZ 4.22Å; I954-F1057 HydrophobicContact CG1-CD2 3.71Å; I954-F1057 HydrophobicContact CG1-CE2 3.79Å; I954-F1057 HydrophobicContact CG1-CG 4.13Å; I954-F1057 HydrophobicContact CG1-CZ 4.28Å; I954-F1057 HydrophobicContact CG2-CB 4.46Å; I954-F1057 HydrophobicContact CG2-CD1 3.56Å; I954-F1057 HydrophobicContact CG2-CD2 4.17Å; I954-F1057 HydrophobicContact CG2-CE1 3.68Å; I954-F1057 HydrophobicContact CG2-CE2 4.28Å; I954-F1057 HydrophobicContact CG2-CG 3.8Å; I954-F1057 HydrophobicContact CG2-CZ 4.04Å |
| 955 | L | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.5 | -43.5 | -177.1 | -71.2 | 175.8 | 0 | 0 | 0 | 112.3 | C842 L845 L849 F861 L864 A951 S952 G959 | C842-L955 WeakPolarHBondContact O-CD2 3.38Å; L845-L955 HydrophobicContact CB-CD2 4.3Å; L845-L955 HydrophobicContact CD2-CD2 4.4Å; L845-L955 HydrophobicContact CG-CD2 4.25Å; L849-L955 HydrophobicContact CD1-CD1 4.3Å; L849-L955 HydrophobicContact CD1-CD2 4Å; L849-L955 HydrophobicContact CD1-CG 3.8Å; F861-L955 HydrophobicContact CD1-CD1 4.37Å; F861-L955 HydrophobicContact CE1-CD1 4.15Å; L864-L955 HydrophobicContact CD1-CD1 4.25Å; L864-L955 HydrophobicContact CD2-CD1 3.85Å; A951-L955 WeakPolarHBondContact O-CG 3.15Å; A951-L955 PolarHBondContact O-N 3.06Å; A951-L955 VanDerWaalsContact O-N 3.12Å; S952-L955 PolarHBondContact O-N 3.48Å; S952-L955 VanDerWaalsContact O-N 3.12Å; L955-G959 PolarHBondContact O-N 2.84Å |
| 956 | F | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | 176.9 | -80.1 | -93.4 | 0 | 0 | 0 | 112 | L864 M868 W902 A905 A906 F909 S952 I954 C960 | L864-F956 HydrophobicContact CD1-CE2 4.31Å; L864-F956 HydrophobicContact CD2-CE2 4.14Å; L864-F956 HydrophobicContact CG-CE2 4.01Å; M868-F956 HydrophobicContact CG-CD1 4.35Å; M868-F956 HydrophobicContact CG-CE1 3.66Å; M868-F956 HydrophobicContact CG-CE2 4.03Å; M868-F956 HydrophobicContact CG-CZ 3.48Å; M868-F956 VanDerWaalsContact CG-CZ 3.48Å; M868-F956 HydrophobicContact SD-CE2 4.35Å; M868-F956 HydrophobicContact SD-CZ 4.35Å; W902-F956 AromaticContact CD1-CD1 3.75Å; W902-F956 AromaticContact CD2-CD1 3.61Å; W902-F956 HydrophobicContact CD2-CD1 3.61Å; W902-F956 HydrophobicContact CD2-CE1 4.03Å; W902-F956 AromaticContact CE2-CD1 3.5Å; W902-F956 HydrophobicContact CE3-CD1 4.19Å; W902-F956 HydrophobicContact CE3-CE1 4.14Å; W902-F956 AromaticContact CG-CD1 3.8Å; W902-F956 HydrophobicContact CG-CD1 3.8Å; W902-F956 HydrophobicContact CG-CE1 4.43Å; W902-F956 HydrophobicContact CZ2-CD1 4.05Å; W902-F956 HydrophobicContact CZ3-CE1 4.43Å; W902-F956 AromaticContact NE1-CD1 3.56Å; W902-F956 PolarHBondContact NE1-O 2.89Å; W902-F956 VanDerWaalsContact O-CD1 3.23Å; W902-F956 WeakPolarHBondContact O-CD1 3.49Å; A905-F956 HydrophobicContact CB-CD1 4.46Å; A905-F956 HydrophobicContact CB-CE1 3.51Å; A905-F956 HydrophobicContact CB-CE2 4.48Å; A905-F956 HydrophobicContact CB-CZ 3.52Å; A906-F956 HydrophobicContact CB-CB 3.69Å; A906-F956 HydrophobicContact CB-CD1 4.26Å; A906-F956 HydrophobicContact CB-CD2 3.79Å; A906-F956 HydrophobicContact CB-CE2 4.49Å; A906-F956 HydrophobicContact CB-CG 3.66Å; F909-F956 HydrophobicContact CD2-CE2 4.33Å; F909-F956 HydrophobicContact CD2-CZ 4.45Å; S952-F956 VanDerWaalsContact O-CD2 3.3Å; S952-F956 WeakPolarHBondContact O-CD2 3.49Å; S952-F956 PolarHBondContact O-N 3.36Å; I954-F956 PolarHBondContact O-N 3.38Å; F956-C960 WeakPolarHBondContact O-CB 3.46Å; F956-C960 PolarHBondContact O-N 2.85Å |
| 957 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -68.2 | -48.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N953 I954 G959 C960 Y1012 S1054 F1057 L1058 | N953-A957 WeakPolarHBondContact O-CB 3.31Å; N953-A957 PolarHBondContact O-N 3.31Å; I954-A957 PolarHBondContact O-N 3.19Å; A957-G959 VanDerWaalsContact C-N 3.34Å; A957-G959 PolarHBondContact O-N 3.45Å; A957-C960 VanDerWaalsContact O-CB 3.29Å; A957-C960 WeakPolarHBondContact O-CB 3.46Å; A957-C960 PolarHBondContact O-N 2.92Å; A957-Y1012 HydrophobicContact CB-CE1 4.03Å; A957-S1054 WeakPolarHBondContact CB-O 3.3Å; A957-F1057 HydrophobicContact CB-CB 4.08Å; A957-L1058 HydrophobicContact CB-CB 4.35Å |
| 958 | V | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 175.1 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | L838 L845 I954 C960 P961 F1057 | L838-V958 HydrophobicContact CD1-CG1 4.03Å; L845-V958 HydrophobicContact CD2-CG2 3.92Å; I954-V958 WeakPolarHBondContact O-CG2 3.44Å; I954-V958 PolarHBondContact O-N 3.38Å; V958-C960 VanDerWaalsContact C-N 3.25Å; V958-C960 PolarHBondContact O-N 3.41Å; V958-P961 WeakPolarHBondContact O-CD 3.21Å; V958-F1057 HydrophobicContact CG2-CB 3.81Å; V958-F1057 HydrophobicContact CG2-CD1 3.65Å; V958-F1057 HydrophobicContact CG2-CG 4.2Å |
| 959 | G | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -74.2 | -9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L955 A957 P961 L962 | L955-G959 PolarHBondContact O-N 2.84Å; A957-G959 VanDerWaalsContact C-N 3.34Å; A957-G959 PolarHBondContact O-N 3.45Å; G959-P961 VanDerWaalsContact C-CD 3.43Å; G959-P961 VanDerWaalsContact C-N 3.35Å; G959-L962 WeakPolarHBondContact O-CB 3.26Å; G959-L962 VanDerWaalsContact O-CG 3.26Å; G959-L962 WeakPolarHBondContact O-CG 3.42Å; G959-L962 PolarHBondContact O-N 3.34Å |
| 960 | C | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -44.6 | -176.1 | -178.1 | 0 | 0 | 0 | 0 | 113.8 | F956 A957 V958 L962 L963 L1008 L1058 | F956-C960 WeakPolarHBondContact O-CB 3.46Å; F956-C960 PolarHBondContact O-N 2.85Å; A957-C960 VanDerWaalsContact O-CB 3.29Å; A957-C960 WeakPolarHBondContact O-CB 3.46Å; A957-C960 PolarHBondContact O-N 2.92Å; V958-C960 VanDerWaalsContact C-N 3.25Å; V958-C960 PolarHBondContact O-N 3.41Å; C960-L962 PolarHBondContact O-N 3.36Å; C960-L963 WeakPolarHBondContact O-CB 3.34Å; C960-L963 PolarHBondContact O-N 2.97Å; C960-L963 VanDerWaalsContact O-N 3.09Å; C960-L1008 WeakPolarHBondContact O-CD2 3.37Å; C960-L1058 HydrophobicContact CB-CD1 3.75Å |
| 961 | P | 97.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.006 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.5 | 177.5 | -23.4 | 35 | 0 | 0 | 0 | 115 | L838 V958 G959 L963 L964 F965 L1005 V1065 | L838-P961 HydrophobicContact CD2-CB 3.85Å; L838-P961 HydrophobicContact CD2-CG 4.23Å; V958-P961 WeakPolarHBondContact O-CD 3.21Å; G959-P961 VanDerWaalsContact C-CD 3.43Å; G959-P961 VanDerWaalsContact C-N 3.35Å; P961-L963 PolarHBondContact O-N 3.26Å; P961-L964 WeakPolarHBondContact O-CB 3.44Å; P961-L964 PolarHBondContact O-N 3.28Å; P961-F965 HydrophobicContact CB-CE2 3.87Å; P961-F965 HydrophobicContact CB-CZ 4.16Å; P961-F965 WeakPolarHBondContact O-CD2 3.36Å; P961-F965 PolarHBondContact O-N 3.13Å; P961-L1005 HydrophobicContact CB-CD1 4.26Å; P961-L1005 HydrophobicContact CG-CD1 4.43Å; P961-V1065 HydrophobicContact CB-CG2 3.85Å; P961-V1065 HydrophobicContact CG-CG2 4.17Å |
| 962 | L | 96.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.6 | -30.6 | 174.8 | -64.6 | 170.7 | 0 | 0 | 0 | 111.9 | L838 L839 L872 G959 C960 L964 F965 W966 | L838-L962 HydrophobicContact CB-CD2 4.22Å; L838-L962 HydrophobicContact CD2-CD2 3.77Å; L838-L962 HydrophobicContact CD2-CG 3.74Å; L838-L962 HydrophobicContact CG-CD2 4.1Å; L838-L962 HydrophobicContact CG-CG 4.21Å; L839-L962 HydrophobicContact CD2-CD1 3.74Å; L839-L962 HydrophobicContact CD2-CD2 4.28Å; L839-L962 HydrophobicContact CG-CD1 4.39Å; L839-L962 HydrophobicContact CG-CD2 4.07Å; L872-L962 HydrophobicContact CD1-CB 4.2Å; L872-L962 HydrophobicContact CD1-CD1 4.25Å; L872-L962 HydrophobicContact CD2-CB 3.8Å; G959-L962 WeakPolarHBondContact O-CB 3.26Å; G959-L962 VanDerWaalsContact O-CG 3.26Å; G959-L962 WeakPolarHBondContact O-CG 3.42Å; G959-L962 PolarHBondContact O-N 3.34Å; C960-L962 PolarHBondContact O-N 3.36Å; L962-L964 PolarHBondContact O-N 3.5Å; L962-F965 PolarHBondContact O-N 2.92Å; L962-F965 VanDerWaalsContact O-N 3.08Å; L962-W966 HydrophobicContact CD2-CZ3 4.4Å; L962-W966 WeakPolarHBondContact O-CB 3.42Å; L962-W966 PolarHBondContact O-N 2.97Å |
| 963 | L | 96.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.2 | -29.5 | 175.1 | -67.9 | 174 | 0 | 0 | 0 | 112.6 | L872 H875 V894 P898 V899 W902 C960 P961 P967 L1008 | L872-L963 HydrophobicContact CD2-CD2 3.91Å; L872-L963 HydrophobicContact CD2-CG 4.46Å; H875-L963 PolarHBondContact CD2-O 3.32Å; H875-L963 VanDerWaalsContact CD2-O 3.32Å; H875-L963 PolarHBondContact NE2-O 2.89Å; V894-L963 HydrophobicContact CG1-CB 4.14Å; P898-L963 HydrophobicContact CB-CD2 4.19Å; V899-L963 HydrophobicContact CG2-CD1 4.4Å; W902-L963 HydrophobicContact CB-CD1 3.95Å; W902-L963 HydrophobicContact CD2-CD1 4.09Å; W902-L963 HydrophobicContact CD2-CD2 4.22Å; W902-L963 HydrophobicContact CD2-CG 4.21Å; W902-L963 HydrophobicContact CE3-CD2 3.87Å; W902-L963 HydrophobicContact CE3-CG 4.33Å; W902-L963 HydrophobicContact CG-CD1 3.84Å; W902-L963 HydrophobicContact CG-CG 4.48Å; W902-L963 HydrophobicContact CZ3-CD2 4.33Å; C960-L963 WeakPolarHBondContact O-CB 3.34Å; C960-L963 PolarHBondContact O-N 2.97Å; C960-L963 VanDerWaalsContact O-N 3.09Å; P961-L963 PolarHBondContact O-N 3.26Å; L963-P967 WeakPolarHBondContact O-CD 3.37Å; L963-L1008 HydrophobicContact CB-CD1 4.2Å; L963-L1008 HydrophobicContact CB-CD2 4.21Å; L963-L1008 HydrophobicContact CD1-CD1 4.05Å |
| 964 | L | 94.1 | Very high | 86.9 | Confident | 9 Ų | 9 | 20.4 Ų | 20.4 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -77.9 | -35 | 175.9 | 179.4 | 59.1 | 0 | 0 | 0 | 112.3 | F892 V894 P961 L962 F1001 A1004 L1005 L1008 | F892-L964 HydrophobicContact CB-CD1 4.27Å; V894-L964 HydrophobicContact CG2-CB 4.08Å; V894-L964 HydrophobicContact CG2-CD1 4.01Å; P961-L964 WeakPolarHBondContact O-CB 3.44Å; P961-L964 PolarHBondContact O-N 3.28Å; L962-L964 PolarHBondContact O-N 3.5Å; L964-F1001 HydrophobicContact CD2-CD2 3.9Å; L964-F1001 HydrophobicContact CD2-CE2 3.74Å; L964-A1004 HydrophobicContact CD1-CB 3.78Å; L964-A1004 HydrophobicContact CD2-CB 4.1Å; L964-L1005 HydrophobicContact CD2-CB 4.43Å; L964-L1008 HydrophobicContact CB-CD2 3.83Å |
| 965 | F | 92.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -87 | -36.8 | -172.5 | -51.7 | -36.5 | 0 | 0 | 0 | 112.9 | Y834 L838 P961 L962 L968 V969 E991 L994 F1001 V1065 | Y834-F965 HydrophobicContact CG-CE1 4.36Å; Y834-F965 HydrophobicContact CG-CZ 4.28Å; L838-F965 HydrophobicContact CD2-CE2 4.18Å; P961-F965 HydrophobicContact CB-CE2 3.87Å; P961-F965 HydrophobicContact CB-CZ 4.16Å; P961-F965 WeakPolarHBondContact O-CD2 3.36Å; P961-F965 PolarHBondContact O-N 3.13Å; L962-F965 PolarHBondContact O-N 2.92Å; L962-F965 VanDerWaalsContact O-N 3.08Å; F965-L968 WeakPolarHBondContact O-CA 3.31Å; F965-L968 WeakPolarHBondContact O-CB 3.46Å; F965-L968 PolarHBondContact O-N 3.17Å; F965-V969 PolarHBondContact O-N 3.14Å; F965-E991 HydrophobicContact CB-CG 4.43Å; F965-L994 HydrophobicContact CD1-CD1 3.59Å; F965-L994 HydrophobicContact CE1-CD1 3.76Å; F965-F1001 AromaticContact CE1-CE2 3.73Å; F965-F1001 HydrophobicContact CE1-CE2 3.73Å; F965-F1001 AromaticContact CE1-CZ 3.85Å; F965-F1001 HydrophobicContact CE1-CZ 3.85Å; F965-F1001 HydrophobicContact CZ-CE2 4.3Å; F965-F1001 HydrophobicContact CZ-CZ 4.22Å; F965-V1065 HydrophobicContact CE2-CG2 3.78Å; F965-V1065 HydrophobicContact CZ-CB 4.43Å; F965-V1065 HydrophobicContact CZ-CG1 3.74Å; F965-V1065 HydrophobicContact CZ-CG2 3.75Å |
| 966 | W | 91.4 | Very high | 81.4 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.3 | -38.8 | -169.5 | -143 | -101.2 | 0 | 0 | 0 | 115.6 | W685 L839 L872 H873 L962 L968 V969 R970 | W685-W966 AromaticContact CE2-CH2 3.98Å; W685-W966 AromaticContact CZ2-CH2 4Å; W685-W966 HydrophobicContact CZ2-CH2 4Å; W685-W966 HydrophobicContact CZ2-CZ3 4.13Å; W685-W966 AromaticContact NE1-CH2 3.75Å; L839-W966 HydrophobicContact CD1-CH2 3.93Å; L839-W966 HydrophobicContact CD1-CZ3 3.81Å; L839-W966 HydrophobicContact CD2-CH2 4.36Å; L839-W966 HydrophobicContact CD2-CZ3 4.19Å; L839-W966 HydrophobicContact CG-CZ3 4.29Å; L872-W966 HydrophobicContact CB-CB 4.29Å; L872-W966 HydrophobicContact CB-CD2 3.76Å; L872-W966 HydrophobicContact CB-CG 3.63Å; L872-W966 HydrophobicContact CB-CZ2 4.47Å; L872-W966 HydrophobicContact CD1-CD2 3.97Å; L872-W966 HydrophobicContact CD1-CE3 3.9Å; L872-W966 HydrophobicContact CD1-CH2 4.27Å; L872-W966 HydrophobicContact CD1-CZ2 4.33Å; L872-W966 HydrophobicContact CD1-CZ3 4.06Å; L872-W966 HydrophobicContact CD2-CB 3.9Å; L872-W966 HydrophobicContact CD2-CD2 4.21Å; L872-W966 HydrophobicContact CD2-CE3 4.39Å; L872-W966 HydrophobicContact CD2-CG 4.03Å; L872-W966 HydrophobicContact CG-CD2 4.2Å; L872-W966 HydrophobicContact CG-CG 4.27Å; H873-W966 AromaticContact CD2-CE2 3.91Å; H873-W966 AromaticContact CD2-NE1 3.23Å; H873-W966 PolarHBondContact CD2-NE1 3.41Å; H873-W966 AromaticContact CG-NE1 3.9Å; H873-W966 AromaticContact NE2-CE2 3.9Å; H873-W966 AromaticContact NE2-CZ2 3.72Å; H873-W966 AromaticContact NE2-NE1 3.44Å; H873-W966 PolarHBondContact NE2-NE1 2.85Å; L962-W966 HydrophobicContact CD2-CZ3 4.4Å; L962-W966 WeakPolarHBondContact O-CB 3.42Å; L962-W966 PolarHBondContact O-N 2.97Å; W966-L968 PolarHBondContact O-N 2.71Å; W966-V969 PolarHBondContact O-N 2.96Å; W966-R970 PolarHBondContact O-N 3.27Å |
| 967 | P | 88.8 | Confident | 78.4 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 16% | 0.156 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -32.5 | 174 | -25.2 | 36.1 | 0 | 0 | 0 | 113.4 | A879 L963 E971 | A879-P967 HydrophobicContact CB-CB 4.27Å; L963-P967 WeakPolarHBondContact O-CD 3.37Å; P967-E971 PolarHBondContact O-N 3.03Å |
| 968 | L | 84.9 | Confident | 75.3 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.6 | -31.3 | 177.2 | -57.4 | 172 | 0 | 0 | 0 | 112 | F892 F965 W966 R970 M990 E991 L994 | F892-L968 HydrophobicContact CE1-CD2 4.34Å; F965-L968 WeakPolarHBondContact O-CA 3.31Å; F965-L968 WeakPolarHBondContact O-CB 3.46Å; F965-L968 PolarHBondContact O-N 3.17Å; W966-L968 PolarHBondContact O-N 2.71Å; L968-R970 VanDerWaalsContact C-N 3.27Å; L968-R970 PolarHBondContact O-N 3.23Å; L968-M990 VanDerWaalsContact O-CE 3.27Å; L968-M990 WeakPolarHBondContact O-CE 3.44Å; L968-M990 VanDerWaalsContact O-SD 3.32Å; L968-E991 HydrophobicContact CB-CG 4.36Å; L968-L994 HydrophobicContact CD1-CD1 3.64Å; L968-L994 HydrophobicContact CD1-CD2 3.92Å; L968-L994 HydrophobicContact CD1-CG 3.57Å |
| 969 | V | 83.4 | Confident | 72.3 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.3 | -26.4 | 176.1 | 178 | 0 | 0 | 0 | 0 | 111.9 | W685 Y689 T832 F965 W966 M990 E991 | W685-V969 HydrophobicContact CZ2-CG1 4.27Å; Y689-V969 HydrophobicContact CE1-CG1 4.11Å; Y689-V969 HydrophobicContact CE2-CG1 4.13Å; Y689-V969 VanDerWaalsContact OH-CG1 3.3Å; Y689-V969 WeakPolarHBondContact OH-CG1 3.47Å; T832-V969 HydrophobicContact CG2-CG1 4.1Å; T832-V969 HydrophobicContact CG2-CG2 4.19Å; F965-V969 PolarHBondContact O-N 3.14Å; W966-V969 PolarHBondContact O-N 2.96Å; V969-M990 WeakPolarHBondContact O-CE 3.5Å; V969-E991 HydrophobicContact CG2-CG 4.15Å; V969-E991 WeakPolarHBondContact CG2-OE1 3.26Å |
| 970 | R | 78.4 | Confident | 69.2 | Low | 47 Ų | 47 | 55.9 Ų | 55.9 | 18% | 0.177 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 22.2 | -175.8 | -68.6 | -159.5 | 67.9 | -158.6 | -2.1 | 114.4 | E615 S618 H873 A876 N880 W966 L968 V972 | E615-R970 IonicContact OE1-NH2 2.62Å; S618-R970 PolarHBondContact OG-NH1 3.41Å; S618-R970 PolarHBondContact OG-NH2 3.22Å; S618-R970 VanDerWaalsContact OG-NH2 3.07Å; H873-R970 PolarHBondContact ND1-NH1 3.08Å; A876-R970 HydrophobicContact CB-CB 4.07Å; N880-R970 PolarHBondContact ND2-O 3.19Å; W966-R970 PolarHBondContact O-N 3.27Å; L968-R970 VanDerWaalsContact C-N 3.27Å; L968-R970 PolarHBondContact O-N 3.23Å; R970-V972 PolarHBondContact O-N 2.65Å |
| 971 | E | 70.8 | Confident | 66.1 | Low | 56 Ų | 56 | 66 Ų | 66 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | trans | -62.4 | 130.4 | -177.6 | -166.7 | 176.2 | 164.7 | 0 | 0 | 111.8 | P967 R993 | P967-E971 PolarHBondContact O-N 3.03Å; E971-R993 IonicContact OE1-CZ 2.7Å; E971-R993 IonicContact OE1-NH1 3.03Å; E971-R993 PolarHBondContact OE1-NH1 3.38Å; E971-R993 IonicContact OE1-NH2 3.32Å; E971-R993 IonicContact OE2-CZ 3.39Å; E971-R993 IonicContact OE2-NH1 2.75Å; E971-R993 PolarHBondContact OE2-NH1 2.9Å | ||
| 972 | V | 58.9 | Low | 63 | Low | 33 Ų | 33 | 69.7 Ų | 69.7 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | trans | -104.2 | 131.2 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | A611 E615 R970 G974 | A611-V972 HydrophobicContact CB-CG1 3.77Å; E615-V972 HydrophobicContact CG-CG2 3.99Å; E615-V972 VanDerWaalsContact OE1-CG2 3.3Å; E615-V972 WeakPolarHBondContact OE1-CG2 3.46Å; R970-V972 PolarHBondContact O-N 2.65Å; V972-G974 PolarHBondContact O-N 2.78Å | ||
| 973 | R | 56.7 | Low | 59.8 | Low | 186 Ų | 186 | 77.5 Ų | 77.5 | 70% | 0.702 | 43% | 0.429 | S | S | * | . | trans | -58.9 | 132.1 | 178.9 | -78.2 | -178.7 | 169 | 173.6 | -4.3 | 112.1 | ||||
| 974 | G | 48.8 | Very low | 56.8 | Low | 43 Ų | 43 | 85.3 Ų | 85.3 | 44% | 0.443 | 47% | 0.466 | S | S | . | . | trans | -73.5 | 149.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V972 R976 | V972-G974 PolarHBondContact O-N 2.78Å; G974-R976 PolarHBondContact O-N 3.04Å; G974-R976 VanDerWaalsContact O-N 3.15Å | ||
| 975 | S | 39.6 | Very low | 54 | Low | 87 Ų | 87 | 87.3 Ų | 87.3 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | trans | -79.1 | 91.7 | 176 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | G977 | S975-G977 PolarHBondContact O-N 3.19Š| ||
| 976 | R | 41 | Very low | 51.6 | Low | 182 Ų | 182 | 95.1 Ų | 95.1 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | trans | -72.6 | 107 | 158.5 | -91.7 | -176.1 | 166.1 | -175.9 | -5.4 | 107.6 | G974 | G974-R976 PolarHBondContact O-N 3.04Å; G974-R976 VanDerWaalsContact O-N 3.15Å | ||
| 977 | G | 34.9 | Very low | 49.6 | Very low | 56 Ų | 56 | 97.3 Ų | 97.3 | 58% | 0.577 | 54% | 0.537 | S | S | * | . | trans | -67.7 | 147.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S975 | S975-G977 PolarHBondContact O-N 3.19Š| ||
| 978 | V | 33.6 | Very low | 47.9 | Very low | 141 Ų | 141 | 98 Ų | 98 | 86% | 0.855 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 59.5 | 117.9 | 153.5 | -169.5 | 0 | 0 | 0 | 0 | 116.9 | G980 | V978-G980 PolarHBondContact O-N 3.19Š|
| 979 | K | 35.2 | Very low | 46.6 | Very low | 215 Ų | 215 | 97.9 Ų | 97.9 | 94% | 0.935 | 54% | 0.541 | S | S | * | . | trans | -39.3 | 104.6 | 163.4 | -72.3 | 173.8 | 171.2 | 179.4 | 0 | 111.6 | ||||
| 980 | G | 31.6 | Very low | 46.5 | Very low | 66 Ų | 66 | 99.4 Ų | 99.4 | 68% | 0.68 | 55% | 0.548 | S | S | * | . | trans | -142.4 | 121.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | V978 G982 | V978-G980 PolarHBondContact O-N 3.19Å; G980-G982 PolarHBondContact O-N 3.47Å | ||
| 981 | H | 33.1 | Very low | 46.9 | Very low | 213 Ų | 213 | 97.1 Ų | 97.1 | 99% | 0.986 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -52 | 131.9 | -177 | -87 | -40.7 | 0 | 0 | 0 | 112.6 | ||
| 982 | G | 32.7 | Very low | 47.4 | Very low | 77 Ų | 77 | 94.8 Ų | 94.8 | 79% | 0.794 | 53% | 0.528 | S | S | * | . | trans | 125.3 | 5 | 146 | 0 | 0 | 0 | 0 | 0 | 120.2 | G980 | G980-G982 PolarHBondContact O-N 3.47Š| ||
| 983 | E | 29.3 | Very low | 48.4 | Very low | 165 Ų | 165 | 95.3 Ų | 95.3 | 77% | 0.771 | 53% | 0.527 | S | S | * | . | trans | -122.9 | 115 | 171.8 | -75.8 | -169 | 162.4 | 0 | 0 | 112 | G985 | E983-G985 PolarHBondContact O-N 2.94Š| ||
| 984 | E | 34 | Very low | 49.7 | Very low | 167 Ų | 167 | 86.4 Ų | 86.4 | 78% | 0.78 | 49% | 0.493 | S | S | * | . | trans | -49 | 124.2 | 176.1 | -65.8 | -179.6 | 144 | 0 | 0 | 110.9 | E986 | E984-E986 PolarHBondContact O-N 3.33Š| ||
| 985 | G | 35.4 | Very low | 51.3 | Low | 51 Ų | 51 | 85.9 Ų | 85.9 | 53% | 0.526 | 48% | 0.478 | S | S | . | . | trans | -67.8 | 128.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | E983 D987 | E983-G985 PolarHBondContact O-N 2.94Å; G985-D987 PolarHBondContact O-N 3.17Å | ||
| 986 | E | 42.1 | Very low | 53.2 | Low | 164 Ų | 164 | 85.1 Ų | 85.1 | 77% | 0.766 | 47% | 0.465 | S | S | * | . | trans | -68.9 | 109 | 169 | -86.3 | -174.7 | 141.2 | 0 | 0 | 109.9 | E984 | E984-E986 PolarHBondContact O-N 3.33Š| ||
| 987 | D | 48.5 | Very low | 55.2 | Low | 55 Ų | 55 | 80.3 Ų | 80.3 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | trans | -72.5 | 157 | -176.2 | -69 | -39.6 | 0 | 0 | 0 | 114.3 | G985 V989 | G985-D987 PolarHBondContact O-N 3.17Å; D987-V989 WeakPolarHBondContact O-CG2 3.5Å; D987-V989 PolarHBondContact O-N 3.39Å | ||
| 988 | V | 53.3 | Low | 57.5 | Low | 39 Ų | 39 | 79 Ų | 79 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | trans | -78.5 | 86.6 | -170.5 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | R806 M990 | R806-V988 VanDerWaalsContact NH1-C 3.28Å; R806-V988 PolarHBondContact NH1-O 3.32Å; V988-M990 HydrophobicContact CG1-CG 4.04Å; V988-M990 HydrophobicContact CG1-SD 3.46Å; V988-M990 WeakPolarHBondContact CG1-SD 3.39Å | ||
| 989 | V | 57.6 | Low | 59.9 | Low | 9 Ų | 9 | 76.6 Ų | 76.6 | 6% | 0.055 | 41% | 0.41 | C | S | . | . | trans | -85.8 | 1.1 | -174.3 | -173.7 | 0 | 0 | 0 | 0 | 114.1 | Y802 D987 E991 M992 R993 | Y802-V989 HydrophobicContact CD1-CG1 4.33Å; Y802-V989 HydrophobicContact CE1-CB 4.26Å; Y802-V989 HydrophobicContact CE1-CG1 3.59Å; Y802-V989 HydrophobicContact CE1-CG2 3.96Å; D987-V989 WeakPolarHBondContact O-CG2 3.5Å; D987-V989 PolarHBondContact O-N 3.39Å; V989-E991 PolarHBondContact O-N 3.26Å; V989-M992 HydrophobicContact CG1-CB 3.45Å; V989-M992 VanDerWaalsContact CG1-CB 3.45Å; V989-M992 VanDerWaalsContact O-CB 3.29Å; V989-M992 WeakPolarHBondContact O-CB 3.28Å; V989-M992 PolarHBondContact O-N 3.07Å; V989-R993 HydrophobicContact CB-CG 3.62Å; V989-R993 HydrophobicContact CG1-CG 4.02Å | ||
| 990 | M | 81.5 | Confident | 62.3 | Low | 35 Ų | 35 | 69.3 Ų | 69.3 | 17% | 0.172 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | 44.3 | -131.9 | 175.6 | -52.8 | -64 | -86.5 | 0 | 0 | 112.7 | L968 V969 V988 M992 R993 | L968-M990 VanDerWaalsContact O-CE 3.27Å; L968-M990 WeakPolarHBondContact O-CE 3.44Å; L968-M990 VanDerWaalsContact O-SD 3.32Å; V969-M990 WeakPolarHBondContact O-CE 3.5Å; V988-M990 HydrophobicContact CG1-CG 4.04Å; V988-M990 HydrophobicContact CG1-SD 3.46Å; V988-M990 WeakPolarHBondContact CG1-SD 3.39Å; M990-M992 PolarHBondContact O-N 3.24Å; M990-R993 PolarHBondContact O-N 3.43Å |
| 991 | E | 86.7 | Confident | 65.1 | Low | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -64 | -21.9 | 177.3 | -73.7 | -177.2 | -169.8 | 0 | 0 | 114.5 | G831 T832 V833 Y834 S835 F965 L968 V969 V989 R993 L994 | G831-E991 WeakPolarHBondContact O-CG 3.29Å; T832-E991 WeakPolarHBondContact CA-OE2 3.4Å; V833-E991 PolarHBondContact N-OE2 3.07Å; Y834-E991 WeakPolarHBondContact CA-OE2 3.42Å; Y834-E991 WeakPolarHBondContact CB-OE2 3.4Å; Y834-E991 HydrophobicContact CD2-CB 4.14Å; Y834-E991 PolarHBondContact N-OE2 3.33Å; S835-E991 WeakPolarHBondContact CB-OE1 3.49Å; S835-E991 PolarHBondContact N-OE1 3.26Å; S835-E991 PolarHBondContact N-OE2 3.45Å; S835-E991 PolarHBondContact OG-OE1 3.29Å; F965-E991 HydrophobicContact CB-CG 4.43Å; L968-E991 HydrophobicContact CB-CG 4.36Å; V969-E991 HydrophobicContact CG2-CG 4.15Å; V969-E991 WeakPolarHBondContact CG2-OE1 3.26Å; V989-E991 PolarHBondContact O-N 3.26Å; E991-R993 PolarHBondContact O-N 2.9Å; E991-L994 WeakPolarHBondContact O-CB 3.29Å; E991-L994 PolarHBondContact O-N 3.43Å; E991-L994 VanDerWaalsContact O-N 3.13Å |
| 992 | M | 82 | Confident | 67.9 | Low | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -66.3 | -19.3 | -179.6 | -71.4 | -59.4 | -54.2 | 0 | 0 | 112.5 | L830 V833 V989 M990 L994 R995 E996 F1076 | L830-M992 HydrophobicContact CD2-SD 4.35Å; L830-M992 WeakPolarHBondContact O-CG 3.38Å; V833-M992 HydrophobicContact CG1-SD 3.89Å; V989-M992 HydrophobicContact CG1-CB 3.45Å; V989-M992 VanDerWaalsContact CG1-CB 3.45Å; V989-M992 VanDerWaalsContact O-CB 3.29Å; V989-M992 WeakPolarHBondContact O-CB 3.28Å; V989-M992 PolarHBondContact O-N 3.07Å; M990-M992 PolarHBondContact O-N 3.24Å; M992-L994 PolarHBondContact O-N 3.35Å; M992-R995 HydrophobicContact CE-CB 4.16Å; M992-R995 VanDerWaalsContact O-CB 3.3Å; M992-R995 WeakPolarHBondContact O-CB 3.39Å; M992-R995 PolarHBondContact O-N 3.23Å; M992-E996 PolarHBondContact O-N 2.97Å; M992-F1076 HydrophobicContact CE-CE2 3.56Å; M992-F1076 HydrophobicContact CE-CZ 3.73Å |
| 993 | R | 79.3 | Confident | 70.6 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -33.4 | 172.5 | -67.8 | -176.9 | 170.9 | 173.7 | -3.4 | 112.5 | F892 E971 V989 M990 E991 R995 E996 K997 | F892-R993 HydrophobicContact CE1-CB 4.35Å; F892-R993 HydrophobicContact CZ-CB 3.99Å; E971-R993 IonicContact OE1-CZ 2.7Å; E971-R993 IonicContact OE1-NH1 3.03Å; E971-R993 PolarHBondContact OE1-NH1 3.38Å; E971-R993 IonicContact OE1-NH2 3.32Å; E971-R993 IonicContact OE2-CZ 3.39Å; E971-R993 IonicContact OE2-NH1 2.75Å; E971-R993 PolarHBondContact OE2-NH1 2.9Å; V989-R993 HydrophobicContact CB-CG 3.62Å; V989-R993 HydrophobicContact CG1-CG 4.02Å; M990-R993 PolarHBondContact O-N 3.43Å; E991-R993 PolarHBondContact O-N 2.9Å; R993-R995 PolarHBondContact O-N 3.49Å; R993-E996 WeakPolarHBondContact O-CB 3.28Å; R993-E996 PolarHBondContact O-N 2.84Å; R993-K997 PolarHBondContact O-N 3.07Å |
| 994 | L | 83.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -34 | 176.2 | -65.7 | 169.1 | 0 | 0 | 0 | 111.4 | Y834 F892 F965 L968 E991 M992 K997 F1001 | Y834-L994 HydrophobicContact CD2-CD1 4.28Å; Y834-L994 HydrophobicContact CE2-CB 4.48Å; Y834-L994 HydrophobicContact CE2-CD1 4.4Å; F892-L994 HydrophobicContact CB-CD2 4.32Å; F892-L994 HydrophobicContact CD1-CD2 3.74Å; F892-L994 HydrophobicContact CD2-CD2 3.61Å; F892-L994 HydrophobicContact CE1-CD2 3.89Å; F892-L994 HydrophobicContact CE2-CD2 3.74Å; F892-L994 HydrophobicContact CG-CD2 3.61Å; F892-L994 HydrophobicContact CZ-CD2 3.89Å; F892-L994 HydrophobicContact CZ-CG 4.42Å; F965-L994 HydrophobicContact CD1-CD1 3.59Å; F965-L994 HydrophobicContact CE1-CD1 3.76Å; L968-L994 HydrophobicContact CD1-CD1 3.64Å; L968-L994 HydrophobicContact CD1-CD2 3.92Å; L968-L994 HydrophobicContact CD1-CG 3.57Å; E991-L994 WeakPolarHBondContact O-CB 3.29Å; E991-L994 PolarHBondContact O-N 3.43Å; E991-L994 VanDerWaalsContact O-N 3.13Å; M992-L994 PolarHBondContact O-N 3.35Å; L994-K997 CarbonylContact O-C 3.35Å; L994-F1001 HydrophobicContact CB-CB 4.22Å; L994-F1001 HydrophobicContact CB-CD1 3.76Å; L994-F1001 HydrophobicContact CB-CD2 4.23Å; L994-F1001 HydrophobicContact CB-CE1 4.13Å; L994-F1001 HydrophobicContact CB-CG 3.82Å; L994-F1001 HydrophobicContact CD1-CD2 4.36Å; L994-F1001 HydrophobicContact CD1-CE2 4.16Å; L994-F1001 HydrophobicContact CD1-CZ 4.29Å; L994-F1001 HydrophobicContact CD2-CB 4.37Å; L994-F1001 HydrophobicContact CD2-CD2 3.92Å; L994-F1001 HydrophobicContact CD2-CE2 4.48Å; L994-F1001 HydrophobicContact CD2-CG 4.17Å; L994-F1001 HydrophobicContact CG-CD2 4.41Å; L994-F1001 HydrophobicContact CG-CG 4.47Å; L994-F1001 WeakPolarHBondContact O-CB 3.35Å |
| 995 | R | 82 | Confident | 76.5 | Confident | 32 Ų | 32 | 37 Ų | 37 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -77.1 | -30.9 | -179.7 | -163.7 | 179 | -174.7 | 83 | 20.5 | 112.5 | M992 R993 K997 P998 D1069 V1072 G1073 | M992-R995 HydrophobicContact CE-CB 4.16Å; M992-R995 VanDerWaalsContact O-CB 3.3Å; M992-R995 WeakPolarHBondContact O-CB 3.39Å; M992-R995 PolarHBondContact O-N 3.23Å; R993-R995 PolarHBondContact O-N 3.49Å; R995-K997 PolarHBondContact O-N 3.22Å; R995-P998 WeakPolarHBondContact O-CD 3.46Å; R995-D1069 IonicContact CZ-OD1 3.86Å; R995-D1069 PolarHBondContact NH1-O 3.34Å; R995-D1069 IonicContact NH1-OD1 3.14Å; R995-D1069 PolarHBondContact NH1-OD1 3.13Å; R995-D1069 PolarHBondContact NH2-O 3.15Å; R995-D1069 IonicContact NH2-OD1 3.98Å; R995-V1072 VanDerWaalsContact NH1-CB 3.29Å; R995-V1072 VanDerWaalsContact NH1-CG1 3.26Å; R995-G1073 VanDerWaalsContact NH2-N 3.17Å |
| 996 | E | 79.8 | Confident | 79.4 | Confident | 71 Ų | 71 | 34.6 Ų | 34.6 | 33% | 0.332 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.2 | -30.6 | 175 | -62.6 | 176.7 | 161 | 0 | 0 | 111.3 | P799 M992 R993 P998 | P799-E996 HydrophobicContact CB-CG 4.44Å; P799-E996 HydrophobicContact CG-CG 4.36Å; M992-E996 PolarHBondContact O-N 2.97Å; R993-E996 WeakPolarHBondContact O-CB 3.28Å; R993-E996 PolarHBondContact O-N 2.84Å; E996-P998 WeakPolarHBondContact O-CD 3.49Å |
| 997 | K | 82.6 | Confident | 81.9 | Confident | 81 Ų | 81 | 27.7 Ų | 27.7 | 35% | 0.352 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -121.8 | 71.1 | 178.3 | -59.2 | -177.6 | -177 | 176.4 | 0 | 111.7 | G890 F892 R993 L994 R995 H999 Q1000 F1001 | G890-K997 WeakPolarHBondContact O-CD 3.43Å; G890-K997 PolarHBondContact O-NZ 3.02Å; F892-K997 HydrophobicContact CE2-CB 4.1Å; R993-K997 PolarHBondContact O-N 3.07Å; L994-K997 CarbonylContact O-C 3.35Å; R995-K997 PolarHBondContact O-N 3.22Å; K997-H999 VanDerWaalsContact C-N 3.26Å; K997-H999 PolarHBondContact O-N 3.19Å; K997-H999 VanDerWaalsContact O-N 3.16Å; K997-Q1000 HydrophobicContact CB-CB 4.19Å; K997-Q1000 HydrophobicContact CB-CG 4.44Å; K997-Q1000 PolarHBondContact O-N 2.85Å; K997-Q1000 VanDerWaalsContact O-N 3.14Å; K997-F1001 PolarHBondContact O-N 2.99Å |
| 998 | P | 83.4 | Confident | 84.2 | Confident | 28 Ų | 28 | 25.1 Ų | 25.1 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -25.9 | -170.6 | 26.6 | -35.4 | 0 | 0 | 0 | 114 | M1 R995 E996 S1002 | M1-P998 HydrophobicContact CG-CB 4.33Å; R995-P998 WeakPolarHBondContact O-CD 3.46Å; E996-P998 WeakPolarHBondContact O-CD 3.49Å; P998-S1002 PolarHBondContact O-N 3.08Å; P998-S1002 VanDerWaalsContact O-N 3.13Å; P998-S1002 PolarHBondContact O-OG 2.96Å |
| 999 | H | 83.8 | Confident | 86.3 | Confident | 91 Ų | 91 | 23.3 Ų | 23.3 | 42% | 0.421 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -69 | -49.9 | 174.5 | -74.5 | -77.7 | 0 | 0 | 0 | 111.4 | K997 F1001 S1002 A1003 | K997-H999 VanDerWaalsContact C-N 3.26Å; K997-H999 PolarHBondContact O-N 3.19Å; K997-H999 VanDerWaalsContact O-N 3.16Å; H999-F1001 VanDerWaalsContact C-N 3.31Å; H999-F1001 PolarHBondContact O-N 3.08Å; H999-S1002 PolarHBondContact O-N 3.01Å; H999-A1003 PolarHBondContact O-N 3.42Å |
| 1000 | Q | 86.3 | Confident | 88.1 | Confident | 61 Ų | 61 | 22.9 Ų | 22.9 | 29% | 0.285 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -67 | -34.2 | 179 | -64 | -179.1 | -3.5 | 0 | 0 | 111.7 | G890 F892 K997 A1003 A1004 | G890-Q1000 PolarHBondContact O-OE1 3.44Å; F892-Q1000 HydrophobicContact CD2-CB 4.01Å; K997-Q1000 HydrophobicContact CB-CB 4.19Å; K997-Q1000 HydrophobicContact CB-CG 4.44Å; K997-Q1000 PolarHBondContact O-N 2.85Å; K997-Q1000 VanDerWaalsContact O-N 3.14Å; Q1000-A1003 PolarHBondContact O-N 3.26Å; Q1000-A1004 VanDerWaalsContact O-CB 3.31Å; Q1000-A1004 WeakPolarHBondContact O-CB 3.43Å; Q1000-A1004 PolarHBondContact O-N 3.29Å |
| 1001 | F | 90.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 171.5 | -178.5 | -162.4 | 0 | 0 | 0 | 111.9 | M1 Y834 L964 F965 L994 K997 H999 A1003 A1004 L1005 V1065 | M1-F1001 HydrophobicContact CE-CD1 3.41Å; M1-F1001 VanDerWaalsContact CE-CD1 3.41Å; M1-F1001 HydrophobicContact CE-CD2 4.1Å; M1-F1001 HydrophobicContact CE-CE1 3.39Å; M1-F1001 HydrophobicContact CE-CE2 4.04Å; M1-F1001 HydrophobicContact CE-CG 3.78Å; M1-F1001 HydrophobicContact CE-CZ 3.71Å; M1-F1001 HydrophobicContact CG-CD1 3.86Å; M1-F1001 HydrophobicContact CG-CE1 4.35Å; M1-F1001 HydrophobicContact SD-CD1 3.26Å; M1-F1001 WeakPolarHBondContact SD-CD1 3.06Å; M1-F1001 HydrophobicContact SD-CE1 3.16Å; M1-F1001 WeakPolarHBondContact SD-CE1 3.17Å; M1-F1001 HydrophobicContact SD-CG 4.2Å; M1-F1001 HydrophobicContact SD-CZ 4.02Å; Y834-F1001 HydrophobicContact CD1-CZ 4.46Å; Y834-F1001 AromaticContact CE1-CE1 3.97Å; Y834-F1001 HydrophobicContact CE1-CE1 3.97Å; Y834-F1001 HydrophobicContact CE1-CZ 4.26Å; Y834-F1001 HydrophobicContact CE2-CE1 4.18Å; Y834-F1001 AromaticContact CZ-CE1 3.74Å; L964-F1001 HydrophobicContact CD2-CD2 3.9Å; L964-F1001 HydrophobicContact CD2-CE2 3.74Å; F965-F1001 AromaticContact CE1-CE2 3.73Å; F965-F1001 HydrophobicContact CE1-CE2 3.73Å; F965-F1001 AromaticContact CE1-CZ 3.85Å; F965-F1001 HydrophobicContact CE1-CZ 3.85Å; F965-F1001 HydrophobicContact CZ-CE2 4.3Å; F965-F1001 HydrophobicContact CZ-CZ 4.22Å; L994-F1001 HydrophobicContact CB-CB 4.22Å; L994-F1001 HydrophobicContact CB-CD1 3.76Å; L994-F1001 HydrophobicContact CB-CD2 4.23Å; L994-F1001 HydrophobicContact CB-CE1 4.13Å; L994-F1001 HydrophobicContact CB-CG 3.82Å; L994-F1001 HydrophobicContact CD1-CD2 4.36Å; L994-F1001 HydrophobicContact CD1-CE2 4.16Å; L994-F1001 HydrophobicContact CD1-CZ 4.29Å; L994-F1001 HydrophobicContact CD2-CB 4.37Å; L994-F1001 HydrophobicContact CD2-CD2 3.92Å; L994-F1001 HydrophobicContact CD2-CE2 4.48Å; L994-F1001 HydrophobicContact CD2-CG 4.17Å; L994-F1001 HydrophobicContact CG-CD2 4.41Å; L994-F1001 HydrophobicContact CG-CG 4.47Å; L994-F1001 WeakPolarHBondContact O-CB 3.35Å; K997-F1001 PolarHBondContact O-N 2.99Å; H999-F1001 VanDerWaalsContact C-N 3.31Å; H999-F1001 PolarHBondContact O-N 3.08Å; F1001-A1003 VanDerWaalsContact C-N 3.31Å; F1001-A1003 PolarHBondContact O-N 3.41Å; F1001-A1004 PolarHBondContact O-N 3.49Å; F1001-L1005 WeakPolarHBondContact O-CB 3.42Å; F1001-L1005 PolarHBondContact O-N 3.49Å; F1001-V1065 HydrophobicContact CE2-CG1 4.41Å; F1001-V1065 HydrophobicContact CZ-CG1 3.77Å |
| 1002 | S | 91.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | K2 P998 H999 L1006 | K2-S1002 PolarHBondContact N-OG 3.31Å; P998-S1002 PolarHBondContact O-N 3.08Å; P998-S1002 VanDerWaalsContact O-N 3.13Å; P998-S1002 PolarHBondContact O-OG 2.96Å; H999-S1002 PolarHBondContact O-N 3.01Å; S1002-L1006 WeakPolarHBondContact O-CB 3.3Å; S1002-L1006 PolarHBondContact O-N 3.48Å; S1002-L1006 VanDerWaalsContact O-N 3.08Å |
| 1003 | A | 90.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 7% | 0.066 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S459 A460 H999 Q1000 F1001 L1005 L1006 Q1007 | S459-A1003 WeakPolarHBondContact CB-O 3.24Å; A460-A1003 HydrophobicContact CB-CB 4.19Å; H999-A1003 PolarHBondContact O-N 3.42Å; Q1000-A1003 PolarHBondContact O-N 3.26Å; F1001-A1003 VanDerWaalsContact C-N 3.31Å; F1001-A1003 PolarHBondContact O-N 3.41Å; A1003-L1005 PolarHBondContact O-N 2.93Å; A1003-L1006 PolarHBondContact O-N 3.09Å; A1003-Q1007 WeakPolarHBondContact O-CB 3.2Å; A1003-Q1007 PolarHBondContact O-N 3.48Å |
| 1004 | A | 92.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F892 L964 Q1000 F1001 Q1007 L1008 | F892-A1004 HydrophobicContact CB-CB 3.73Å; F892-A1004 WeakPolarHBondContact O-CB 3.44Å; L964-A1004 HydrophobicContact CD1-CB 3.78Å; L964-A1004 HydrophobicContact CD2-CB 4.1Å; Q1000-A1004 VanDerWaalsContact O-CB 3.31Å; Q1000-A1004 WeakPolarHBondContact O-CB 3.43Å; Q1000-A1004 PolarHBondContact O-N 3.29Å; F1001-A1004 PolarHBondContact O-N 3.49Å; A1004-Q1007 PolarHBondContact O-N 3.21Å; A1004-L1008 WeakPolarHBondContact O-CB 3.26Å; A1004-L1008 PolarHBondContact O-N 3.03Å |
| 1005 | L | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 175.6 | -172.6 | 59.8 | 0 | 0 | 0 | 111.1 | M1 P961 L964 F1001 A1003 Q1007 L1008 S1009 V1062 V1065 L1066 | M1-L1005 HydrophobicContact CE-CD2 4.19Å; P961-L1005 HydrophobicContact CB-CD1 4.26Å; P961-L1005 HydrophobicContact CG-CD1 4.43Å; L964-L1005 HydrophobicContact CD2-CB 4.43Å; F1001-L1005 WeakPolarHBondContact O-CB 3.42Å; F1001-L1005 PolarHBondContact O-N 3.49Å; A1003-L1005 PolarHBondContact O-N 2.93Å; L1005-Q1007 PolarHBondContact O-N 2.9Å; L1005-L1008 PolarHBondContact O-N 2.96Å; L1005-S1009 WeakPolarHBondContact O-CB 3.39Å; L1005-S1009 PolarHBondContact O-N 2.81Å; L1005-S1009 PolarHBondContact O-OG 3.09Å; L1005-S1009 VanDerWaalsContact O-OG 3.1Å; L1005-V1062 HydrophobicContact CD1-CG2 4.37Å; L1005-V1062 HydrophobicContact CD2-CG1 4.05Å; L1005-V1062 HydrophobicContact CG-CG1 4.38Å; L1005-V1065 HydrophobicContact CD2-CG1 4.11Å; L1005-L1066 HydrophobicContact CD2-CD2 4.27Å |
| 1006 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 175.2 | -179.9 | 63.3 | 0 | 0 | 0 | 111.8 | V6 L9 L10 M455 T463 S1002 A1003 T1010 | V6-L1006 HydrophobicContact CG1-CB 4.21Å; V6-L1006 HydrophobicContact CG1-CD1 4.28Å; V6-L1006 HydrophobicContact CG2-CB 4.38Å; L9-L1006 HydrophobicContact CB-CD1 4.13Å; L9-L1006 HydrophobicContact CD1-CD1 4.46Å; L9-L1006 HydrophobicContact CD1-CD2 3.69Å; L10-L1006 HydrophobicContact CD2-CD1 3.99Å; L10-L1006 HydrophobicContact CG-CD1 4.15Å; M455-L1006 HydrophobicContact CG-CD1 4.47Å; M455-L1006 HydrophobicContact CG-CD2 4.38Å; M455-L1006 HydrophobicContact CG-CG 4.5Å; M455-L1006 HydrophobicContact SD-CD1 3.95Å; T463-L1006 HydrophobicContact CG2-CD2 3.92Å; S1002-L1006 WeakPolarHBondContact O-CB 3.3Å; S1002-L1006 PolarHBondContact O-N 3.48Å; S1002-L1006 VanDerWaalsContact O-N 3.08Å; A1003-L1006 PolarHBondContact O-N 3.09Å; L1006-T1010 HydrophobicContact CD1-CG2 3.92Å; L1006-T1010 HydrophobicContact CG-CG2 4.41Å; L1006-T1010 WeakPolarHBondContact O-CB 3.35Å; L1006-T1010 VanDerWaalsContact O-CG2 3.3Å; L1006-T1010 WeakPolarHBondContact O-CG2 3.16Å; L1006-T1010 PolarHBondContact O-N 2.94Å; L1006-T1010 PolarHBondContact O-OG1 3.44Å |
| 1007 | Q | 94.7 | Very high | 93 | Very high | 20 Ų | 20 | 17 Ų | 17 | 9% | 0.093 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.2 | -50.7 | 176.6 | 178.4 | 172 | 82.1 | 0 | 0 | 111.3 | S456 S893 A1003 A1004 L1005 T1010 R1011 | S456-Q1007 WeakPolarHBondContact O-CG 3.31Å; S456-Q1007 PolarHBondContact O-NE2 3.41Å; S456-Q1007 VanDerWaalsContact O-NE2 3.17Å; S893-Q1007 VanDerWaalsContact CB-OE1 3.28Å; A1003-Q1007 WeakPolarHBondContact O-CB 3.2Å; A1003-Q1007 PolarHBondContact O-N 3.48Å; A1004-Q1007 PolarHBondContact O-N 3.21Å; L1005-Q1007 PolarHBondContact O-N 2.9Å; Q1007-T1010 PolarHBondContact O-N 3.33Å; Q1007-T1010 PolarHBondContact O-OG1 3.01Å; Q1007-R1011 HydrophobicContact CG-CG 4.38Å; Q1007-R1011 WeakPolarHBondContact O-CB 3.36Å; Q1007-R1011 VanDerWaalsContact O-CG 3.26Å; Q1007-R1011 WeakPolarHBondContact O-CG 3.32Å; Q1007-R1011 PolarHBondContact O-N 3.39Å |
| 1008 | L | 96.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.5 | -51 | -179.3 | 173 | 56.9 | 0 | 0 | 0 | 111.3 | V894 V899 C960 L963 L964 A1004 L1005 T1010 R1011 Y1012 | V894-L1008 HydrophobicContact CB-CD1 4.11Å; V894-L1008 HydrophobicContact CG1-CD1 3.97Å; V894-L1008 HydrophobicContact CG2-CD1 4.4Å; V894-L1008 HydrophobicContact CG2-CD2 4.29Å; V899-L1008 HydrophobicContact CG2-CD1 3.73Å; C960-L1008 WeakPolarHBondContact O-CD2 3.37Å; L963-L1008 HydrophobicContact CB-CD1 4.2Å; L963-L1008 HydrophobicContact CB-CD2 4.21Å; L963-L1008 HydrophobicContact CD1-CD1 4.05Å; L964-L1008 HydrophobicContact CB-CD2 3.83Å; A1004-L1008 WeakPolarHBondContact O-CB 3.26Å; A1004-L1008 PolarHBondContact O-N 3.03Å; L1005-L1008 PolarHBondContact O-N 2.96Å; L1008-T1010 VanDerWaalsContact C-N 3.34Å; L1008-T1010 PolarHBondContact O-N 3.38Å; L1008-R1011 PolarHBondContact O-N 3.41Å; L1008-Y1012 PolarHBondContact O-N 2.88Å |
| 1009 | S | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | -180 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | L1005 Y1012 L1013 V1062 | L1005-S1009 WeakPolarHBondContact O-CB 3.39Å; L1005-S1009 PolarHBondContact O-N 2.81Å; L1005-S1009 PolarHBondContact O-OG 3.09Å; L1005-S1009 VanDerWaalsContact O-OG 3.1Å; S1009-Y1012 PolarHBondContact O-N 3.18Å; S1009-L1013 WeakPolarHBondContact O-CB 3.26Å; S1009-L1013 WeakPolarHBondContact O-CG 3.42Å; S1009-L1013 PolarHBondContact O-N 3.34Å; S1009-V1062 WeakPolarHBondContact OG-CG2 3.34Å |
| 1010 | T | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -72.7 | -31.6 | 179 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | L10 L13 C452 M455 S456 L1006 Q1007 L1008 F1014 | L10-T1010 HydrophobicContact CD2-CG2 3.86Å; L13-T1010 HydrophobicContact CD2-CG2 4.25Å; C452-T1010 PolarHBondContact SG-O 3.39Å; M455-T1010 HydrophobicContact CB-CG2 4.22Å; M455-T1010 HydrophobicContact CG-CG2 3.84Å; M455-T1010 HydrophobicContact SD-CG2 3.49Å; M455-T1010 WeakPolarHBondContact SD-CG2 3.39Å; S456-T1010 WeakPolarHBondContact CA-OG1 3.1Å; S456-T1010 WeakPolarHBondContact CB-OG1 3.38Å; S456-T1010 PolarHBondContact N-OG1 3.35Å; L1006-T1010 HydrophobicContact CD1-CG2 3.92Å; L1006-T1010 HydrophobicContact CG-CG2 4.41Å; L1006-T1010 WeakPolarHBondContact O-CB 3.35Å; L1006-T1010 VanDerWaalsContact O-CG2 3.3Å; L1006-T1010 WeakPolarHBondContact O-CG2 3.16Å; L1006-T1010 PolarHBondContact O-N 2.94Å; L1006-T1010 PolarHBondContact O-OG1 3.44Å; Q1007-T1010 PolarHBondContact O-N 3.33Å; Q1007-T1010 PolarHBondContact O-OG1 3.01Å; L1008-T1010 VanDerWaalsContact C-N 3.34Å; L1008-T1010 PolarHBondContact O-N 3.38Å; T1010-F1014 VanDerWaalsContact O-CB 3.28Å; T1010-F1014 WeakPolarHBondContact O-CB 3.39Å; T1010-F1014 PolarHBondContact O-N 3.14Å |
| 1011 | R | 96.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 8 Ų | 8 | 7% | 0.072 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 170.4 | -72.3 | -171.2 | 167.7 | 147.4 | 3.6 | 111.5 | E457 V894 W896 V899 Q1007 L1008 F1014 I1015 | E457-R1011 IonicContact OE1-CZ 2.71Å; E457-R1011 IonicContact OE1-NE 3.03Å; E457-R1011 IonicContact OE1-NH2 2.76Å; E457-R1011 PolarHBondContact OE1-NH2 2.92Å; V894-R1011 PolarHBondContact O-NH1 3.3Å; W896-R1011 HydrophobicContact CD2-CG 4.2Å; W896-R1011 HydrophobicContact CE3-CB 4.02Å; W896-R1011 HydrophobicContact CE3-CG 3.9Å; W896-R1011 HydrophobicContact CH2-CB 4.17Å; W896-R1011 HydrophobicContact CH2-CG 3.59Å; W896-R1011 HydrophobicContact CZ2-CG 3.86Å; W896-R1011 HydrophobicContact CZ3-CB 3.71Å; W896-R1011 HydrophobicContact CZ3-CG 3.59Å; V899-R1011 HydrophobicContact CG1-CB 4.12Å; V899-R1011 HydrophobicContact CG2-CB 4.28Å; Q1007-R1011 HydrophobicContact CG-CG 4.38Å; Q1007-R1011 WeakPolarHBondContact O-CB 3.36Å; Q1007-R1011 VanDerWaalsContact O-CG 3.26Å; Q1007-R1011 WeakPolarHBondContact O-CG 3.32Å; Q1007-R1011 PolarHBondContact O-N 3.39Å; L1008-R1011 PolarHBondContact O-N 3.41Å; R1011-F1014 PolarHBondContact O-N 3.24Å; R1011-I1015 PolarHBondContact O-N 2.99Å |
| 1012 | Y | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.6 | -48.4 | 177.3 | -177.5 | -114.4 | 0 | 0 | 0 | 111.3 | V899 A957 L1008 S1009 F1014 I1015 L1016 L1058 | V899-Y1012 HydrophobicContact CG1-CD2 4.28Å; A957-Y1012 HydrophobicContact CB-CE1 4.03Å; L1008-Y1012 PolarHBondContact O-N 2.88Å; S1009-Y1012 PolarHBondContact O-N 3.18Å; Y1012-F1014 VanDerWaalsContact C-N 3.28Å; Y1012-F1014 PolarHBondContact O-N 3.19Å; Y1012-I1015 PolarHBondContact O-N 3.02Å; Y1012-L1016 HydrophobicContact CD1-CD1 4.16Å; Y1012-L1016 HydrophobicContact CE1-CD1 3.63Å; Y1012-L1016 HydrophobicContact CE2-CD1 4.25Å; Y1012-L1016 HydrophobicContact CE2-CG 4.48Å; Y1012-L1016 PolarHBondContact O-N 3.09Å; Y1012-L1058 HydrophobicContact CD1-CD1 4.04Å; Y1012-L1058 HydrophobicContact CD1-CD2 4.05Å |
| 1013 | L | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.6 | -34.9 | 174.4 | -70.7 | 178.5 | 0 | 0 | 0 | 112.8 | L10 L13 S1009 G1017 F1051 C1055 L1058 | L10-L1013 HydrophobicContact CD2-CD1 4.04Å; L13-L1013 HydrophobicContact CD2-CD1 4.14Å; S1009-L1013 WeakPolarHBondContact O-CB 3.26Å; S1009-L1013 WeakPolarHBondContact O-CG 3.42Å; S1009-L1013 PolarHBondContact O-N 3.34Å; L1013-G1017 WeakPolarHBondContact O-CA 3.46Å; L1013-G1017 PolarHBondContact O-N 3.14Å; L1013-F1051 HydrophobicContact CD2-CE2 4.39Å; L1013-F1051 HydrophobicContact CD2-CZ 4.49Å; L1013-C1055 VanDerWaalsContact CD2-SG 3.53Å; L1013-L1058 HydrophobicContact CD1-CD2 4.05Å; L1013-L1058 HydrophobicContact CD2-CD2 3.73Å; L1013-L1058 HydrophobicContact CG-CD2 3.63Å |
| 1014 | F | 96.4 | Very high | 96 | Very high | 32 Ų | 32 | 9 Ų | 9 | 14% | 0.14 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.4 | 175.7 | -101.1 | 0 | 0 | 0 | 111.7 | C449 C452 F453 W896 T1010 R1011 Y1012 G1017 A1018 | C449-F1014 WeakPolarHBondContact O-CD2 3.1Å; C452-F1014 HydrophobicContact CB-CB 4.44Å; C452-F1014 HydrophobicContact CB-CD2 4.37Å; C452-F1014 VanDerWaalsContact SG-CA 3.53Å; C452-F1014 PolarHBondContact SG-N 2.82Å; F453-F1014 HydrophobicContact CB-CD2 3.86Å; F453-F1014 HydrophobicContact CB-CE2 3.77Å; F453-F1014 HydrophobicContact CB-CZ 4.47Å; F453-F1014 HydrophobicContact CD2-CE1 4.3Å; F453-F1014 HydrophobicContact CD2-CE2 4.22Å; F453-F1014 HydrophobicContact CD2-CZ 4.11Å; F453-F1014 HydrophobicContact CG-CE2 4.39Å; W896-F1014 AromaticContact CH2-CD1 3.94Å; W896-F1014 HydrophobicContact CH2-CD1 3.94Å; W896-F1014 HydrophobicContact CH2-CG 4.37Å; W896-F1014 HydrophobicContact CZ3-CB 4.44Å; W896-F1014 AromaticContact CZ3-CD1 3.73Å; W896-F1014 HydrophobicContact CZ3-CD1 3.73Å; W896-F1014 HydrophobicContact CZ3-CE1 4.47Å; W896-F1014 HydrophobicContact CZ3-CG 4.4Å; T1010-F1014 VanDerWaalsContact O-CB 3.28Å; T1010-F1014 WeakPolarHBondContact O-CB 3.39Å; T1010-F1014 PolarHBondContact O-N 3.14Å; R1011-F1014 PolarHBondContact O-N 3.24Å; Y1012-F1014 VanDerWaalsContact C-N 3.28Å; Y1012-F1014 PolarHBondContact O-N 3.19Å; F1014-G1017 PolarHBondContact O-N 2.96Å; F1014-A1018 WeakPolarHBondContact O-CB 3.06Å; F1014-A1018 PolarHBondContact O-N 3.39Å |
| 1015 | I | 95.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.1 | -45.8 | -179.6 | -62.9 | 179.4 | 0 | 0 | 0 | 110.6 | P547 V899 A900 S903 R1011 Y1012 A1018 Q1019 | P547-I1015 HydrophobicContact CB-CG2 4.32Å; V899-I1015 HydrophobicContact CB-CD1 4.35Å; V899-I1015 HydrophobicContact CG1-CD1 3.92Å; A900-I1015 HydrophobicContact CB-CD1 3.92Å; S903-I1015 WeakPolarHBondContact OG-CG2 3.29Å; R1011-I1015 PolarHBondContact O-N 2.99Å; Y1012-I1015 PolarHBondContact O-N 3.02Å; I1015-A1018 PolarHBondContact O-N 3.14Å; I1015-Q1019 WeakPolarHBondContact O-CG 3.19Å; I1015-Q1019 PolarHBondContact O-N 3.22Å |
| 1016 | L | 96.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 10.5 Ų | 10.5 | 5% | 0.047 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 177.2 | -59.3 | -179.3 | 0 | 0 | 0 | 111.7 | Y1012 A1018 Q1019 V1020 F1051 | Y1012-L1016 HydrophobicContact CD1-CD1 4.16Å; Y1012-L1016 HydrophobicContact CE1-CD1 3.63Å; Y1012-L1016 HydrophobicContact CE2-CD1 4.25Å; Y1012-L1016 HydrophobicContact CE2-CG 4.48Å; Y1012-L1016 PolarHBondContact O-N 3.09Å; L1016-A1018 VanDerWaalsContact C-N 3.33Å; L1016-A1018 PolarHBondContact O-N 2.83Å; L1016-Q1019 WeakPolarHBondContact O-CB 3.4Å; L1016-Q1019 PolarHBondContact O-N 3.17Å; L1016-Q1019 VanDerWaalsContact O-N 3.12Å; L1016-V1020 PolarHBondContact O-N 2.93Å; L1016-F1051 HydrophobicContact CB-CD2 3.66Å; L1016-F1051 HydrophobicContact CB-CE2 4.08Å |
| 1017 | G | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.7 | -35 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1013 F1014 Q1019 V1020 F1021 | L1013-G1017 WeakPolarHBondContact O-CA 3.46Å; L1013-G1017 PolarHBondContact O-N 3.14Å; F1014-G1017 PolarHBondContact O-N 2.96Å; G1017-Q1019 VanDerWaalsContact C-N 3.32Å; G1017-V1020 PolarHBondContact O-N 3.23Å; G1017-F1021 VanDerWaalsContact O-CB 3.27Å; G1017-F1021 WeakPolarHBondContact O-CB 3.34Å; G1017-F1021 PolarHBondContact O-N 3.14Å |
| 1018 | A | 94.8 | Very high | 95.8 | Very high | 16 Ų | 16 | 10.2 Ų | 10.2 | 13% | 0.132 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C551 F1014 I1015 L1016 S1022 | C551-A1018 PolarHBondContact SG-O 3.16Å; F1014-A1018 WeakPolarHBondContact O-CB 3.06Å; F1014-A1018 PolarHBondContact O-N 3.39Å; I1015-A1018 PolarHBondContact O-N 3.14Å; L1016-A1018 VanDerWaalsContact C-N 3.33Å; L1016-A1018 PolarHBondContact O-N 2.83Å; A1018-S1022 WeakPolarHBondContact O-CB 3.27Å; A1018-S1022 PolarHBondContact O-N 2.92Å; A1018-S1022 PolarHBondContact O-OG 2.75Å |
| 1019 | Q | 95 | Very high | 95.5 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.9 | -48.8 | 174.2 | -72.3 | 177.4 | 0.4 | 0 | 0 | 111.7 | I1015 L1016 G1017 F1021 S1022 S1023 | I1015-Q1019 WeakPolarHBondContact O-CG 3.19Å; I1015-Q1019 PolarHBondContact O-N 3.22Å; L1016-Q1019 WeakPolarHBondContact O-CB 3.4Å; L1016-Q1019 PolarHBondContact O-N 3.17Å; L1016-Q1019 VanDerWaalsContact O-N 3.12Å; G1017-Q1019 VanDerWaalsContact C-N 3.32Å; Q1019-F1021 VanDerWaalsContact C-N 3.33Å; Q1019-F1021 PolarHBondContact O-N 3.49Å; Q1019-S1022 PolarHBondContact O-N 2.88Å; Q1019-S1022 VanDerWaalsContact O-N 3.14Å; Q1019-S1023 PolarHBondContact O-N 3.49Å; Q1019-S1023 PolarHBondContact O-OG 3.3Å |
| 1020 | V | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 174.8 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | I21 L1016 G1017 S1022 S1023 V1024 E1047 F1051 | I21-V1020 HydrophobicContact CD1-CG1 3.91Å; I21-V1020 HydrophobicContact CG1-CG1 3.84Å; L1016-V1020 PolarHBondContact O-N 2.93Å; G1017-V1020 PolarHBondContact O-N 3.23Å; V1020-S1022 VanDerWaalsContact C-N 3.3Å; V1020-S1022 PolarHBondContact O-N 3.01Å; V1020-S1023 PolarHBondContact O-N 3.32Å; V1020-V1024 HydrophobicContact CG1-CG2 4.37Å; V1020-V1024 WeakPolarHBondContact O-CB 3.24Å; V1020-V1024 WeakPolarHBondContact O-CG2 3.2Å; V1020-V1024 PolarHBondContact O-N 2.88Å; V1020-E1047 HydrophobicContact CG2-CB 4.37Å; V1020-E1047 WeakPolarHBondContact CG2-O 3.49Å; V1020-F1051 HydrophobicContact CG2-CB 3.46Å; V1020-F1051 VanDerWaalsContact CG2-CB 3.46Å; V1020-F1051 HydrophobicContact CG2-CD2 4.06Å; V1020-F1051 HydrophobicContact CG2-CG 3.82Å |
| 1021 | F | 96.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 21.1 Ų | 21.1 | 23% | 0.232 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 176.7 | 172.5 | -104.6 | 0 | 0 | 0 | 111.8 | L442 L445 T446 G1017 Q1019 V1024 C1025 | L442-F1021 HydrophobicContact CD2-CE2 4.23Å; L445-F1021 HydrophobicContact CB-CD2 3.94Å; T446-F1021 VanDerWaalsContact OG1-CE2 3.28Å; T446-F1021 WeakPolarHBondContact OG1-CE2 3.18Å; G1017-F1021 VanDerWaalsContact O-CB 3.27Å; G1017-F1021 WeakPolarHBondContact O-CB 3.34Å; G1017-F1021 PolarHBondContact O-N 3.14Å; Q1019-F1021 VanDerWaalsContact C-N 3.33Å; Q1019-F1021 PolarHBondContact O-N 3.49Å; F1021-V1024 WeakPolarHBondContact O-CB 3.44Å; F1021-V1024 PolarHBondContact O-N 3.3Å; F1021-C1025 WeakPolarHBondContact CZ-SG 3.49Å; F1021-C1025 PolarHBondContact O-N 3.08Å; F1021-C1025 PolarHBondContact O-SG 3.04Å; F1021-C1025 VanDerWaalsContact O-SG 3.32Å |
| 1022 | S | 95.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 26.9 Ų | 26.9 | 16% | 0.161 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.9 | -37.2 | 176.8 | -65.8 | 0 | 0 | 0 | 0 | 113.1 | C551 A1018 Q1019 V1020 V1024 C1025 A1026 | C551-S1022 WeakPolarHBondContact CB-OG 3.48Å; C551-S1022 PolarHBondContact SG-OG 3.21Å; A1018-S1022 WeakPolarHBondContact O-CB 3.27Å; A1018-S1022 PolarHBondContact O-N 2.92Å; A1018-S1022 PolarHBondContact O-OG 2.75Å; Q1019-S1022 PolarHBondContact O-N 2.88Å; Q1019-S1022 VanDerWaalsContact O-N 3.14Å; V1020-S1022 VanDerWaalsContact C-N 3.3Å; V1020-S1022 PolarHBondContact O-N 3.01Å; S1022-V1024 VanDerWaalsContact C-N 3.34Å; S1022-C1025 PolarHBondContact O-N 3.37Å; S1022-A1026 WeakPolarHBondContact O-CB 3.48Å; S1022-A1026 PolarHBondContact O-N 3.14Å |
| 1023 | S | 95.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | 171.4 | -65.5 | 0 | 0 | 0 | 0 | 112 | L554 Q1019 V1020 A1026 A1027 | L554-S1023 WeakPolarHBondContact CD1-OG 3.25Å; Q1019-S1023 PolarHBondContact O-N 3.49Å; Q1019-S1023 PolarHBondContact O-OG 3.3Å; V1020-S1023 PolarHBondContact O-N 3.32Å; S1023-A1026 PolarHBondContact O-N 2.87Å; S1023-A1027 VanDerWaalsContact O-CB 3.31Å; S1023-A1027 WeakPolarHBondContact O-CB 3.3Å; S1023-A1027 PolarHBondContact O-N 3.2Å |
| 1024 | V | 96.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 174.1 | 164.9 | 0 | 0 | 0 | 0 | 110.6 | F24 L442 L445 V1020 F1021 S1022 A1027 A1028 L1044 | F24-V1024 HydrophobicContact CB-CG1 4.29Å; F24-V1024 HydrophobicContact CD1-CB 4.31Å; F24-V1024 HydrophobicContact CD1-CG1 3.78Å; F24-V1024 HydrophobicContact CD1-CG2 3.9Å; F24-V1024 HydrophobicContact CD2-CG1 3.4Å; F24-V1024 HydrophobicContact CE1-CB 4.35Å; F24-V1024 HydrophobicContact CE1-CG1 3.91Å; F24-V1024 HydrophobicContact CE1-CG2 4.31Å; F24-V1024 HydrophobicContact CE2-CG1 3.54Å; F24-V1024 HydrophobicContact CG-CB 4.46Å; F24-V1024 HydrophobicContact CG-CG1 3.52Å; F24-V1024 HydrophobicContact CG-CG2 4.2Å; F24-V1024 HydrophobicContact CZ-CG1 3.78Å; F24-V1024 WeakPolarHBondContact CZ-O 3.32Å; L442-V1024 HydrophobicContact CD2-CG1 3.61Å; L442-V1024 HydrophobicContact CG-CG1 3.93Å; L445-V1024 HydrophobicContact CD1-CB 4.23Å; L445-V1024 HydrophobicContact CD1-CG1 4.07Å; L445-V1024 HydrophobicContact CD1-CG2 3.82Å; V1020-V1024 HydrophobicContact CG1-CG2 4.37Å; V1020-V1024 WeakPolarHBondContact O-CB 3.24Å; V1020-V1024 WeakPolarHBondContact O-CG2 3.2Å; V1020-V1024 PolarHBondContact O-N 2.88Å; F1021-V1024 WeakPolarHBondContact O-CB 3.44Å; F1021-V1024 PolarHBondContact O-N 3.3Å; S1022-V1024 VanDerWaalsContact C-N 3.34Å; V1024-A1027 PolarHBondContact O-N 2.97Å; V1024-A1028 VanDerWaalsContact O-CB 3.3Å; V1024-A1028 WeakPolarHBondContact O-CB 3.4Å; V1024-A1028 PolarHBondContact O-N 3.25Å; V1024-L1044 HydrophobicContact CB-CD1 4.35Å; V1024-L1044 HydrophobicContact CG2-CD1 3.43Å; V1024-L1044 VanDerWaalsContact CG2-CD1 3.43Å |
| 1025 | C | 95.7 | Very high | 89.7 | Confident | 32 Ų | 32 | 33 Ų | 33 | 22% | 0.216 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.6 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | F1021 S1022 A1028 I1029 | F1021-C1025 WeakPolarHBondContact CZ-SG 3.49Å; F1021-C1025 PolarHBondContact O-N 3.08Å; F1021-C1025 PolarHBondContact O-SG 3.04Å; F1021-C1025 VanDerWaalsContact O-SG 3.32Å; S1022-C1025 PolarHBondContact O-N 3.37Å; C1025-A1028 PolarHBondContact O-N 3.26Å; C1025-I1029 WeakPolarHBondContact O-CB 3.38Å; C1025-I1029 WeakPolarHBondContact O-CD1 3.41Å; C1025-I1029 VanDerWaalsContact O-CG1 3.23Å; C1025-I1029 WeakPolarHBondContact O-CG1 3.43Å; C1025-I1029 PolarHBondContact O-N 2.68Å |
| 1026 | A | 94.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L554 L555 S1022 S1023 A1028 I1029 L1030 | L554-A1026 HydrophobicContact CB-CB 4.3Å; L554-A1026 WeakPolarHBondContact O-CB 3.46Å; L555-A1026 HydrophobicContact CD2-CB 3.92Å; S1022-A1026 WeakPolarHBondContact O-CB 3.48Å; S1022-A1026 PolarHBondContact O-N 3.14Å; S1023-A1026 PolarHBondContact O-N 2.87Å; A1026-A1028 VanDerWaalsContact C-N 3.31Å; A1026-A1028 PolarHBondContact O-N 3.06Å; A1026-I1029 PolarHBondContact O-N 3.33Å; A1026-L1030 WeakPolarHBondContact O-CB 3.35Å; A1026-L1030 WeakPolarHBondContact O-CG 3.35Å; A1026-L1030 PolarHBondContact O-N 2.91Å |
| 1027 | A | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F24 F28 S1023 V1024 R1031 L1044 | F24-A1027 HydrophobicContact CE1-CB 4.19Å; F24-A1027 HydrophobicContact CZ-CB 4.32Å; F28-A1027 HydrophobicContact CE1-CB 4.27Å; F28-A1027 HydrophobicContact CE2-CB 3.99Å; F28-A1027 WeakPolarHBondContact CE2-O 3.48Å; F28-A1027 HydrophobicContact CZ-CB 3.84Å; S1023-A1027 VanDerWaalsContact O-CB 3.31Å; S1023-A1027 WeakPolarHBondContact O-CB 3.3Å; S1023-A1027 PolarHBondContact O-N 3.2Å; V1024-A1027 PolarHBondContact O-N 2.97Å; A1027-R1031 VanDerWaalsContact O-CA 3.27Å; A1027-R1031 WeakPolarHBondContact O-CA 3.48Å; A1027-R1031 VanDerWaalsContact O-CB 3.25Å; A1027-R1031 WeakPolarHBondContact O-CB 3.17Å; A1027-R1031 PolarHBondContact O-N 3.14Å; A1027-L1044 HydrophobicContact CB-CB 4.49Å; A1027-L1044 HydrophobicContact CB-CD2 3.84Å |
| 1028 | A | 91.6 | Very high | 86.4 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F24 M438 L442 V1024 C1025 A1026 R1031 | F24-A1028 HydrophobicContact CE2-CB 3.86Å; F24-A1028 HydrophobicContact CZ-CB 3.86Å; M438-A1028 HydrophobicContact CE-CB 4.23Å; L442-A1028 HydrophobicContact CD1-CB 4.11Å; V1024-A1028 VanDerWaalsContact O-CB 3.3Å; V1024-A1028 WeakPolarHBondContact O-CB 3.4Å; V1024-A1028 PolarHBondContact O-N 3.25Å; C1025-A1028 PolarHBondContact O-N 3.26Å; A1026-A1028 VanDerWaalsContact C-N 3.31Å; A1026-A1028 PolarHBondContact O-N 3.06Å; A1028-R1031 WeakPolarHBondContact O-CD 3.43Å; A1028-R1031 WeakPolarHBondContact O-CG 3.44Å; A1028-R1031 PolarHBondContact O-NH1 3.27Å |
| 1029 | I | 90.9 | Very high | 85.7 | Confident | 111 Ų | 111 | 35.4 Ų | 35.4 | 57% | 0.569 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -67.6 | -46.5 | -179.5 | -68.7 | 165.5 | 0 | 0 | 0 | 110 | L555 C1025 A1026 R1031 | L555-I1029 HydrophobicContact CD2-CD1 4.06Å; C1025-I1029 WeakPolarHBondContact O-CB 3.38Å; C1025-I1029 WeakPolarHBondContact O-CD1 3.41Å; C1025-I1029 VanDerWaalsContact O-CG1 3.23Å; C1025-I1029 WeakPolarHBondContact O-CG1 3.43Å; C1025-I1029 PolarHBondContact O-N 2.68Å; A1026-I1029 PolarHBondContact O-N 3.33Å; I1029-R1031 VanDerWaalsContact C-N 3.32Å; I1029-R1031 PolarHBondContact O-N 2.89Å |
| 1030 | L | 86.9 | Confident | 85.4 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 17.8 | -174.6 | -57.7 | 168.4 | 0 | 0 | 0 | 112.5 | L555 A1026 R1032 H1033 V1036 F1040 | L555-L1030 HydrophobicContact CD2-CD1 4.42Å; A1026-L1030 WeakPolarHBondContact O-CB 3.35Å; A1026-L1030 WeakPolarHBondContact O-CG 3.35Å; A1026-L1030 PolarHBondContact O-N 2.91Å; L1030-R1032 PolarHBondContact O-N 2.96Å; L1030-H1033 HydrophobicContact CB-CB 3.89Å; L1030-H1033 HydrophobicContact CD2-CB 4.29Å; L1030-H1033 WeakPolarHBondContact O-CB 3.42Å; L1030-H1033 PolarHBondContact O-N 2.93Å; L1030-V1036 WeakPolarHBondContact O-CB 3.48Å; L1030-V1036 WeakPolarHBondContact O-CG2 3.42Å; L1030-F1040 HydrophobicContact CB-CD2 4.18Å; L1030-F1040 HydrophobicContact CB-CE2 4.33Å; L1030-F1040 HydrophobicContact CD1-CD1 3.88Å; L1030-F1040 HydrophobicContact CD1-CD2 4.1Å; L1030-F1040 HydrophobicContact CD1-CE1 3.47Å; L1030-F1040 VanDerWaalsContact CD1-CE1 3.47Å; L1030-F1040 HydrophobicContact CD1-CE2 3.71Å; L1030-F1040 HydrophobicContact CD1-CG 4.19Å; L1030-F1040 HydrophobicContact CD1-CZ 3.38Å |
| 1031 | R | 81.8 | Confident | 84.8 | Confident | 93 Ų | 93 | 35.6 Ų | 35.6 | 35% | 0.351 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.6 | -178.2 | 72.7 | -170.3 | 178 | -78.3 | -2.5 | 114.6 | F28 F433 A1027 A1028 I1029 | F28-R1031 HydrophobicContact CE2-CB 4.07Å; F433-R1031 HydrophobicContact CE2-CB 4.13Å; F433-R1031 HydrophobicContact CE2-CG 4.2Å; F433-R1031 HydrophobicContact CZ-CB 4.1Å; A1027-R1031 VanDerWaalsContact O-CA 3.27Å; A1027-R1031 WeakPolarHBondContact O-CA 3.48Å; A1027-R1031 VanDerWaalsContact O-CB 3.25Å; A1027-R1031 WeakPolarHBondContact O-CB 3.17Å; A1027-R1031 PolarHBondContact O-N 3.14Å; A1028-R1031 WeakPolarHBondContact O-CD 3.43Å; A1028-R1031 WeakPolarHBondContact O-CG 3.44Å; A1028-R1031 PolarHBondContact O-NH1 3.27Å; I1029-R1031 VanDerWaalsContact C-N 3.32Å; I1029-R1031 PolarHBondContact O-N 2.89Å |
| 1032 | R | 76.5 | Confident | 84.3 | Confident | 140 Ų | 140 | 33.2 Ų | 33.2 | 53% | 0.528 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 6 | 177.7 | -66.7 | -177.4 | 166.2 | 171.9 | -6.5 | 113.2 | D278 L1030 | D278-R1032 WeakPolarHBondContact OD1-CD 3.36Å; D278-R1032 IonicContact OD1-CZ 3.22Å; D278-R1032 VanDerWaalsContact OD1-CZ 3.25Å; D278-R1032 IonicContact OD1-NE 3.87Å; D278-R1032 PolarHBondContact OD1-NE 3.32Å; D278-R1032 IonicContact OD1-NH2 3.74Å; D278-R1032 PolarHBondContact OD1-NH2 3.39Å; D278-R1032 IonicContact OD2-CZ 3.9Å; D278-R1032 IonicContact OD2-NE 3.54Å; D278-R1032 PolarHBondContact OD2-NE 3.43Å; D278-R1032 IonicContact OD2-NH2 2.94Å; D278-R1032 PolarHBondContact OD2-NH2 2.95Å; L1030-R1032 PolarHBondContact O-N 2.96Å |
| 1033 | H | 76.7 | Confident | 84.1 | Confident | 70 Ų | 70 | 32.6 Ų | 32.6 | 32% | 0.324 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -79.6 | 141.7 | 179.6 | -171 | -82.4 | 0 | 0 | 0 | 110 | L1030 M1035 V1036 F1040 | L1030-H1033 HydrophobicContact CB-CB 3.89Å; L1030-H1033 HydrophobicContact CD2-CB 4.29Å; L1030-H1033 WeakPolarHBondContact O-CB 3.42Å; L1030-H1033 PolarHBondContact O-N 2.93Å; H1033-M1035 PolarHBondContact ND1-N 2.93Å; H1033-M1035 VanDerWaalsContact ND1-N 3.11Å; H1033-M1035 PolarHBondContact O-N 3.5Å; H1033-M1035 VanDerWaalsContact O-N 3.14Å; H1033-V1036 WeakPolarHBondContact O-CB 3.3Å; H1033-V1036 WeakPolarHBondContact O-CG1 3.37Å; H1033-V1036 PolarHBondContact O-N 2.92Å; H1033-F1040 AromaticContact ND1-CE2 3.8Å |
| 1034 | L | 66.9 | Low | 84 | Confident | 34 Ų | 34 | 32.4 Ų | 32.4 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -48 | -45.1 | 178.8 | 174.9 | 74 | 0 | 0 | 0 | 112.4 | H275 V1036 | H275-L1034 VanDerWaalsContact O-CA 3.26Å; H275-L1034 WeakPolarHBondContact O-CA 3.3Å; H275-L1034 VanDerWaalsContact O-CB 3.32Å; H275-L1034 WeakPolarHBondContact O-CB 3.42Å; H275-L1034 WeakPolarHBondContact O-CD1 3.45Å; L1034-V1036 VanDerWaalsContact C-N 3.31Å; L1034-V1036 PolarHBondContact O-N 3.16Å |
| 1035 | M | 71.8 | Confident | 83.8 | Confident | 56 Ų | 56 | 33.7 Ų | 33.7 | 28% | 0.276 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -81.6 | 7.7 | 179.5 | -59.2 | -63.3 | 173.8 | 0 | 0 | 115.3 | H1033 W1037 K1038 V1039 F1040 | H1033-M1035 PolarHBondContact ND1-N 2.93Å; H1033-M1035 VanDerWaalsContact ND1-N 3.11Å; H1033-M1035 PolarHBondContact O-N 3.5Å; H1033-M1035 VanDerWaalsContact O-N 3.14Å; M1035-W1037 PolarHBondContact O-N 3.43Å; M1035-K1038 PolarHBondContact O-N 2.98Å; M1035-K1038 HydrophobicContact SD-CB 4.4Å; M1035-V1039 HydrophobicContact CB-CB 4.12Å; M1035-V1039 HydrophobicContact CB-CG2 3.89Å; M1035-V1039 HydrophobicContact CG-CG2 4.4Å; M1035-V1039 WeakPolarHBondContact O-CA 3.24Å; M1035-V1039 WeakPolarHBondContact O-CB 3.31Å; M1035-V1039 PolarHBondContact O-N 3.46Å; M1035-V1039 HydrophobicContact SD-CG2 4.41Å; M1035-F1040 HydrophobicContact CB-CD2 4.48Å; M1035-F1040 HydrophobicContact CB-CE2 4.18Å; M1035-F1040 PolarHBondContact O-N 2.96Å |
| 1036 | V | 77.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -54.2 | -41.9 | 179.6 | 67.3 | 0 | 0 | 0 | 0 | 111.3 | F28 L1030 H1033 L1034 F1040 A1041 | F28-V1036 HydrophobicContact CE2-CG2 4.22Å; F28-V1036 HydrophobicContact CZ-CG2 3.84Å; L1030-V1036 WeakPolarHBondContact O-CB 3.48Å; L1030-V1036 WeakPolarHBondContact O-CG2 3.42Å; H1033-V1036 WeakPolarHBondContact O-CB 3.3Å; H1033-V1036 WeakPolarHBondContact O-CG1 3.37Å; H1033-V1036 PolarHBondContact O-N 2.92Å; L1034-V1036 VanDerWaalsContact C-N 3.31Å; L1034-V1036 PolarHBondContact O-N 3.16Å; V1036-F1040 CarbonylContact O-C 3.58Å; V1036-F1040 PolarHBondContact O-N 3.27Å; V1036-A1041 WeakPolarHBondContact O-CB 3.45Å; V1036-A1041 PolarHBondContact O-N 2.87Å |
| 1037 | W | 72.1 | Confident | 83.8 | Confident | 14 Ų | 14 | 34 Ų | 34 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -33.4 | -173.8 | -68.6 | 127.2 | 0 | 0 | 0 | 112.5 | F28 L29 L30 P117 F135 F433 M1035 A1041 P1042 | F28-W1037 HydrophobicContact CE1-CZ3 4.25Å; F28-W1037 HydrophobicContact CZ-CZ3 4.39Å; L29-W1037 HydrophobicContact CD2-CZ3 4.34Å; L30-W1037 HydrophobicContact CD1-CH2 4.39Å; L30-W1037 HydrophobicContact CD1-CZ2 4.05Å; L30-W1037 HydrophobicContact CG-CH2 4.21Å; L30-W1037 HydrophobicContact CG-CZ2 4.37Å; P117-W1037 VanDerWaalsContact CB-NE1 3.34Å; F135-W1037 HydrophobicContact CB-CD2 4.06Å; F135-W1037 HydrophobicContact CB-CE3 3.73Å; F135-W1037 HydrophobicContact CB-CH2 4.2Å; F135-W1037 HydrophobicContact CB-CZ3 3.79Å; F135-W1037 HydrophobicContact CD1-CD2 4.02Å; F135-W1037 AromaticContact CD1-CE3 3.11Å; F135-W1037 HydrophobicContact CD1-CE3 3.11Å; F135-W1037 AromaticContact CD1-CZ3 3.48Å; F135-W1037 HydrophobicContact CD1-CZ3 3.48Å; F135-W1037 VanDerWaalsContact CD1-CZ3 3.48Å; F135-W1037 HydrophobicContact CD2-CB 3.6Å; F135-W1037 AromaticContact CD2-CD2 3.66Å; F135-W1037 HydrophobicContact CD2-CD2 3.66Å; F135-W1037 AromaticContact CD2-CE3 3.65Å; F135-W1037 HydrophobicContact CD2-CE3 3.65Å; F135-W1037 AromaticContact CD2-CG 3.65Å; F135-W1037 HydrophobicContact CD2-CG 3.65Å; F135-W1037 HydrophobicContact CE1-CD2 4.45Å; F135-W1037 AromaticContact CE1-CE3 3.57Å; F135-W1037 HydrophobicContact CE1-CE3 3.57Å; F135-W1037 HydrophobicContact CE1-CZ3 4.24Å; F135-W1037 HydrophobicContact CE2-CB 3.33Å; F135-W1037 HydrophobicContact CE2-CD2 4.21Å; F135-W1037 HydrophobicContact CE2-CE3 4.12Å; F135-W1037 AromaticContact CE2-CG 3.93Å; F135-W1037 HydrophobicContact CE2-CG 3.93Å; F135-W1037 HydrophobicContact CG-CB 4.39Å; F135-W1037 AromaticContact CG-CD2 3.6Å; F135-W1037 HydrophobicContact CG-CD2 3.6Å; F135-W1037 AromaticContact CG-CE3 3.15Å; F135-W1037 HydrophobicContact CG-CE3 3.15Å; F135-W1037 HydrophobicContact CG-CG 4.12Å; F135-W1037 HydrophobicContact CG-CH2 4.48Å; F135-W1037 AromaticContact CG-CZ3 3.65Å; F135-W1037 HydrophobicContact CG-CZ3 3.65Å; F135-W1037 HydrophobicContact CZ-CB 3.85Å; F135-W1037 HydrophobicContact CZ-CE3 4.08Å; F135-W1037 WeakPolarHBondContact CZ-O 3.2Å; F433-W1037 AromaticContact CE1-CH2 3.93Å; F433-W1037 HydrophobicContact CE1-CH2 3.93Å; F433-W1037 AromaticContact CE1-CZ2 3.93Å; F433-W1037 HydrophobicContact CE1-CZ2 3.93Å; F433-W1037 HydrophobicContact CZ-CH2 4.35Å; F433-W1037 AromaticContact CZ-CZ2 3.89Å; F433-W1037 HydrophobicContact CZ-CZ2 3.89Å; M1035-W1037 PolarHBondContact O-N 3.43Å; W1037-A1041 HydrophobicContact CE3-CB 3.71Å; W1037-A1041 HydrophobicContact CZ3-CB 4.01Å; W1037-P1042 WeakPolarHBondContact O-CD 3.36Å; W1037-P1042 VanDerWaalsContact O-CG 3.25Å; W1037-P1042 WeakPolarHBondContact O-CG 3.26Å |
| 1038 | K | 67.6 | Low | 84 | Confident | 65 Ų | 65 | 34.3 Ų | 34.3 | 28% | 0.283 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -30.9 | 179.1 | -169.1 | 162.6 | -178.5 | 152.7 | 0 | 113.6 | F188 R640 E641 E642 M1035 | F188-K1038 VanDerWaalsContact CE2-NZ 3.28Å; R640-K1038 PolarHBondContact NH2-O 3.46Å; E641-K1038 IonicContact OE2-NZ 3.78Å; E641-K1038 PolarHBondContact OE2-NZ 3.45Å; E642-K1038 VanDerWaalsContact OE1-CE 3.22Å; E642-K1038 WeakPolarHBondContact OE1-CE 3.45Å; E642-K1038 WeakPolarHBondContact OE1-CG 3.34Å; M1035-K1038 PolarHBondContact O-N 2.98Å; M1035-K1038 HydrophobicContact SD-CB 4.4Å |
| 1039 | V | 81.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -58.3 | -171.7 | -178.2 | 0 | 0 | 0 | 0 | 112 | D557 V560 I561 M1035 K1043 | D557-V1039 HydrophobicContact CB-CG1 4.41Å; V560-V1039 HydrophobicContact CB-CG1 3.73Å; V560-V1039 HydrophobicContact CG1-CG1 3.5Å; V560-V1039 VanDerWaalsContact CG1-CG1 3.5Å; V560-V1039 HydrophobicContact CG2-CG1 4.5Å; I561-V1039 HydrophobicContact CD1-CG2 4.5Å; I561-V1039 HydrophobicContact CG1-CG2 4.43Å; M1035-V1039 HydrophobicContact CB-CB 4.12Å; M1035-V1039 HydrophobicContact CB-CG2 3.89Å; M1035-V1039 HydrophobicContact CG-CG2 4.4Å; M1035-V1039 WeakPolarHBondContact O-CA 3.24Å; M1035-V1039 WeakPolarHBondContact O-CB 3.31Å; M1035-V1039 PolarHBondContact O-N 3.46Å; M1035-V1039 HydrophobicContact SD-CG2 4.41Å; V1039-K1043 WeakPolarHBondContact O-CB 3.4Å; V1039-K1043 PolarHBondContact O-N 2.9Å; V1039-K1043 VanDerWaalsContact O-N 3.15Å |
| 1040 | F | 88.4 | Confident | 84.5 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -79.1 | -40.7 | -165.9 | -60.7 | -70.4 | 0 | 0 | 0 | 114.3 | L554 D557 V560 L1030 H1033 M1035 V1036 K1043 L1044 | L554-F1040 VanDerWaalsContact O-CE1 3.28Å; L554-F1040 WeakPolarHBondContact O-CE1 3.41Å; D557-F1040 HydrophobicContact CB-CE2 4.34Å; D557-F1040 HydrophobicContact CB-CZ 3.91Å; V560-F1040 HydrophobicContact CG2-CE1 4.4Å; L1030-F1040 HydrophobicContact CB-CD2 4.18Å; L1030-F1040 HydrophobicContact CB-CE2 4.33Å; L1030-F1040 HydrophobicContact CD1-CD1 3.88Å; L1030-F1040 HydrophobicContact CD1-CD2 4.1Å; L1030-F1040 HydrophobicContact CD1-CE1 3.47Å; L1030-F1040 VanDerWaalsContact CD1-CE1 3.47Å; L1030-F1040 HydrophobicContact CD1-CE2 3.71Å; L1030-F1040 HydrophobicContact CD1-CG 4.19Å; L1030-F1040 HydrophobicContact CD1-CZ 3.38Å; H1033-F1040 AromaticContact ND1-CE2 3.8Å; M1035-F1040 HydrophobicContact CB-CD2 4.48Å; M1035-F1040 HydrophobicContact CB-CE2 4.18Å; M1035-F1040 PolarHBondContact O-N 2.96Å; V1036-F1040 CarbonylContact O-C 3.58Å; V1036-F1040 PolarHBondContact O-N 3.27Å; F1040-K1043 PolarHBondContact O-N 3.43Å; F1040-L1044 WeakPolarHBondContact O-CB 3.44Å; F1040-L1044 PolarHBondContact O-N 3.34Å |
| 1041 | A | 84.9 | Confident | 85 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.3 | -46.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F28 F135 V1036 W1037 K1043 L1044 L1045 | F28-A1041 HydrophobicContact CE1-CB 3.7Å; F28-A1041 HydrophobicContact CZ-CB 4.04Å; F135-A1041 HydrophobicContact CE1-CB 4.24Å; V1036-A1041 WeakPolarHBondContact O-CB 3.45Å; V1036-A1041 PolarHBondContact O-N 2.87Å; W1037-A1041 HydrophobicContact CE3-CB 3.71Å; W1037-A1041 HydrophobicContact CZ3-CB 4.01Å; A1041-K1043 VanDerWaalsContact C-N 3.33Å; A1041-K1043 PolarHBondContact O-N 3.42Å; A1041-L1044 PolarHBondContact O-N 3.39Å; A1041-L1045 WeakPolarHBondContact O-CG 3.32Å; A1041-L1045 PolarHBondContact O-N 3.32Å |
| 1042 | P | 85.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 169.7 | -27.3 | 37.3 | 0 | 0 | 0 | 111.7 | P917 F919 W1037 L1044 L1045 F1046 | P917-P1042 WeakPolarHBondContact O-CB 3.32Å; F919-P1042 HydrophobicContact CD2-CG 4.32Å; F919-P1042 HydrophobicContact CE2-CB 4.49Å; F919-P1042 HydrophobicContact CE2-CG 4.14Å; W1037-P1042 WeakPolarHBondContact O-CD 3.36Å; W1037-P1042 VanDerWaalsContact O-CG 3.25Å; W1037-P1042 WeakPolarHBondContact O-CG 3.26Å; P1042-L1044 VanDerWaalsContact C-N 3.35Å; P1042-L1044 PolarHBondContact O-N 2.92Å; P1042-L1045 PolarHBondContact O-N 3.21Å; P1042-L1045 VanDerWaalsContact O-N 3.1Å; P1042-F1046 VanDerWaalsContact O-CD2 3.3Å; P1042-F1046 WeakPolarHBondContact O-CD2 3.32Å; P1042-F1046 PolarHBondContact O-N 3.32Å |
| 1043 | K | 92 | Very high | 86.7 | Confident | 9 Ų | 9 | 22.6 Ų | 22.6 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.1 | -46.3 | 177 | 178.1 | 59.8 | -174.5 | 172.7 | 0 | 112.5 | L554 V560 E563 P917 V1039 F1040 A1041 L1045 F1046 E1047 | L554-K1043 HydrophobicContact CD2-CD 4.43Å; L554-K1043 HydrophobicContact CD2-CG 4.22Å; V560-K1043 HydrophobicContact CG1-CB 4Å; V560-K1043 HydrophobicContact CG1-CD 4.16Å; V560-K1043 HydrophobicContact CG1-CG 3.94Å; E563-K1043 IonicContact OE1-NZ 3.73Å; E563-K1043 PolarHBondContact OE1-NZ 3.37Å; E563-K1043 VanDerWaalsContact OE2-CE 3.29Å; E563-K1043 WeakPolarHBondContact OE2-CE 3.32Å; E563-K1043 IonicContact OE2-NZ 3.3Å; E563-K1043 PolarHBondContact OE2-NZ 2.86Å; P917-K1043 HydrophobicContact CB-CD 4.06Å; P917-K1043 HydrophobicContact CG-CD 4.19Å; V1039-K1043 WeakPolarHBondContact O-CB 3.4Å; V1039-K1043 PolarHBondContact O-N 2.9Å; V1039-K1043 VanDerWaalsContact O-N 3.15Å; F1040-K1043 PolarHBondContact O-N 3.43Å; A1041-K1043 VanDerWaalsContact C-N 3.33Å; A1041-K1043 PolarHBondContact O-N 3.42Å; K1043-L1045 VanDerWaalsContact C-N 3.33Å; K1043-L1045 PolarHBondContact O-N 3.25Å; K1043-F1046 PolarHBondContact O-N 3.32Å; K1043-E1047 HydrophobicContact CD-CG 4.12Å; K1043-E1047 VanDerWaalsContact CE-CG 3.5Å; K1043-E1047 VanDerWaalsContact CE-OE1 3.31Å; K1043-E1047 WeakPolarHBondContact CE-OE1 3.15Å; K1043-E1047 IonicContact NZ-OE1 3.78Å; K1043-E1047 PolarHBondContact NZ-OE1 2.92Å; K1043-E1047 WeakPolarHBondContact O-CB 3.35Å; K1043-E1047 WeakPolarHBondContact O-CG 3.48Å; K1043-E1047 PolarHBondContact O-N 2.73Å |
| 1044 | L | 94.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 174.6 | 167.7 | 63.2 | 0 | 0 | 0 | 111.6 | F24 F28 V1024 A1027 F1040 A1041 P1042 E1047 A1048 | F24-L1044 HydrophobicContact CD1-CD2 3.98Å; F24-L1044 HydrophobicContact CE1-CD2 3.64Å; F28-L1044 HydrophobicContact CD1-CD2 3.89Å; F28-L1044 HydrophobicContact CE1-CD2 4.02Å; V1024-L1044 HydrophobicContact CB-CD1 4.35Å; V1024-L1044 HydrophobicContact CG2-CD1 3.43Å; V1024-L1044 VanDerWaalsContact CG2-CD1 3.43Å; A1027-L1044 HydrophobicContact CB-CB 4.49Å; A1027-L1044 HydrophobicContact CB-CD2 3.84Å; F1040-L1044 WeakPolarHBondContact O-CB 3.44Å; F1040-L1044 PolarHBondContact O-N 3.34Å; A1041-L1044 PolarHBondContact O-N 3.39Å; P1042-L1044 VanDerWaalsContact C-N 3.35Å; P1042-L1044 PolarHBondContact O-N 2.92Å; L1044-E1047 PolarHBondContact O-N 3.06Å; L1044-A1048 VanDerWaalsContact O-CB 3.25Å; L1044-A1048 WeakPolarHBondContact O-CB 3.38Å; L1044-A1048 PolarHBondContact O-N 3.42Å |
| 1045 | L | 91.9 | Very high | 89.3 | Confident | 28 Ų | 28 | 17.7 Ų | 17.7 | 15% | 0.147 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.8 | -37.6 | -176.4 | -71.9 | 168 | 0 | 0 | 0 | 112.9 | V25 L29 F919 A1041 P1042 K1043 S1049 | V25-L1045 HydrophobicContact CG1-CD2 4.25Å; L29-L1045 HydrophobicContact CD1-CD1 4.1Å; L29-L1045 HydrophobicContact CD1-CD2 3.88Å; L29-L1045 HydrophobicContact CD2-CD1 4.14Å; F919-L1045 HydrophobicContact CE1-CD1 4.19Å; F919-L1045 HydrophobicContact CE2-CD1 4.45Å; F919-L1045 HydrophobicContact CZ-CD1 3.48Å; F919-L1045 VanDerWaalsContact CZ-CD1 3.48Å; A1041-L1045 WeakPolarHBondContact O-CG 3.32Å; A1041-L1045 PolarHBondContact O-N 3.32Å; P1042-L1045 PolarHBondContact O-N 3.21Å; P1042-L1045 VanDerWaalsContact O-N 3.1Å; K1043-L1045 VanDerWaalsContact C-N 3.33Å; K1043-L1045 PolarHBondContact O-N 3.25Å; L1045-S1049 WeakPolarHBondContact O-CB 3.39Å; L1045-S1049 PolarHBondContact O-N 3.4Å; L1045-S1049 PolarHBondContact O-OG 2.89Å |
| 1046 | F | 93.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 17.9 Ų | 17.9 | 8% | 0.083 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.5 | -41.5 | 173.8 | -86.3 | -103.2 | 0 | 0 | 0 | 112 | F910 L916 P917 F919 I922 T949 F950 P1042 K1043 G1050 | F910-F1046 HydrophobicContact CE2-CD1 4.01Å; F910-F1046 HydrophobicContact CE2-CE1 4.32Å; F910-F1046 AromaticContact CZ-CD1 3.68Å; F910-F1046 HydrophobicContact CZ-CD1 3.68Å; F910-F1046 AromaticContact CZ-CE1 3.98Å; F910-F1046 HydrophobicContact CZ-CE1 3.98Å; L916-F1046 WeakPolarHBondContact O-CE1 3.42Å; L916-F1046 WeakPolarHBondContact O-CZ 3.49Å; P917-F1046 HydrophobicContact CB-CB 4.06Å; P917-F1046 HydrophobicContact CB-CD2 4.3Å; P917-F1046 HydrophobicContact CB-CG 4.05Å; F919-F1046 HydrophobicContact CD1-CE2 4.47Å; I922-F1046 HydrophobicContact CD1-CZ 4.32Å; I922-F1046 HydrophobicContact CG1-CZ 3.94Å; T949-F1046 HydrophobicContact CG2-CD1 4.08Å; T949-F1046 HydrophobicContact CG2-CE1 3.61Å; F950-F1046 HydrophobicContact CE1-CD1 4.37Å; F950-F1046 WeakPolarHBondContact CE1-O 3.09Å; F950-F1046 HydrophobicContact CZ-CD1 4.31Å; P1042-F1046 VanDerWaalsContact O-CD2 3.3Å; P1042-F1046 WeakPolarHBondContact O-CD2 3.32Å; P1042-F1046 PolarHBondContact O-N 3.32Å; K1043-F1046 PolarHBondContact O-N 3.32Å; F1046-G1050 WeakPolarHBondContact O-CA 3.46Å; F1046-G1050 PolarHBondContact O-N 3.15Å |
| 1047 | E | 95.8 | Very high | 91.4 | Very high | 23 Ų | 23 | 19.5 Ų | 19.5 | 11% | 0.107 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 175.8 | -74.7 | -66 | 168 | 0 | 0 | 111.9 | R550 V1020 K1043 L1044 G1050 F1051 | R550-E1047 IonicContact NH2-OE1 3.06Å; V1020-E1047 HydrophobicContact CG2-CB 4.37Å; V1020-E1047 WeakPolarHBondContact CG2-O 3.49Å; K1043-E1047 HydrophobicContact CD-CG 4.12Å; K1043-E1047 VanDerWaalsContact CE-CG 3.5Å; K1043-E1047 VanDerWaalsContact CE-OE1 3.31Å; K1043-E1047 WeakPolarHBondContact CE-OE1 3.15Å; K1043-E1047 IonicContact NZ-OE1 3.78Å; K1043-E1047 PolarHBondContact NZ-OE1 2.92Å; K1043-E1047 WeakPolarHBondContact O-CB 3.35Å; K1043-E1047 WeakPolarHBondContact O-CG 3.48Å; K1043-E1047 PolarHBondContact O-N 2.73Å; L1044-E1047 PolarHBondContact O-N 3.06Å; E1047-G1050 PolarHBondContact O-N 3.18Å; E1047-F1051 VanDerWaalsContact O-CB 3.29Å; E1047-F1051 WeakPolarHBondContact O-CB 3.5Å; E1047-F1051 PolarHBondContact O-N 2.71Å |
| 1048 | A | 96.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I21 L1044 F1051 V1052 | I21-A1048 HydrophobicContact CD1-CB 4.42Å; I21-A1048 HydrophobicContact CG2-CB 3.81Å; L1044-A1048 VanDerWaalsContact O-CB 3.25Å; L1044-A1048 WeakPolarHBondContact O-CB 3.38Å; L1044-A1048 PolarHBondContact O-N 3.42Å; A1048-F1051 PolarHBondContact O-N 3.32Å; A1048-V1052 WeakPolarHBondContact O-CG2 3.4Å; A1048-V1052 PolarHBondContact O-N 2.66Å |
| 1049 | S | 95.5 | Very high | 94.1 | Very high | 54 Ų | 54 | 17 Ų | 17 | 38% | 0.378 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 179 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | L1045 F1051 V1052 V1053 | L1045-S1049 WeakPolarHBondContact O-CB 3.39Å; L1045-S1049 PolarHBondContact O-N 3.4Å; L1045-S1049 PolarHBondContact O-OG 2.89Å; S1049-F1051 VanDerWaalsContact C-N 3.28Å; S1049-F1051 PolarHBondContact O-N 3.17Å; S1049-V1052 PolarHBondContact O-N 3.43Å; S1049-V1053 WeakPolarHBondContact O-CG2 3.29Å; S1049-V1053 PolarHBondContact O-N 3.36Å |
| 1050 | G | 96.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.5 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F950 F1046 E1047 S1054 | F950-G1050 VanDerWaalsContact CE1-CA 3.42Å; F1046-G1050 WeakPolarHBondContact O-CA 3.46Å; F1046-G1050 PolarHBondContact O-N 3.15Å; E1047-G1050 PolarHBondContact O-N 3.18Å; G1050-S1054 VanDerWaalsContact O-CB 3.25Å; G1050-S1054 WeakPolarHBondContact O-CB 3.25Å; G1050-S1054 PolarHBondContact O-N 3.26Å; G1050-S1054 PolarHBondContact O-OG 2.88Å |
| 1051 | F | 97.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -45.8 | 173 | 178.7 | -91.1 | 0 | 0 | 0 | 112.5 | Y17 F18 I21 L1013 L1016 V1020 E1047 A1048 S1049 V1053 S1054 C1055 | Y17-F1051 VanDerWaalsContact CB-CE1 3.42Å; Y17-F1051 HydrophobicContact CD1-CE1 4.23Å; Y17-F1051 AromaticContact CD1-CZ 3.91Å; Y17-F1051 HydrophobicContact CD1-CZ 3.91Å; Y17-F1051 HydrophobicContact CD2-CE1 4.2Å; Y17-F1051 AromaticContact CD2-CZ 3.6Å; Y17-F1051 HydrophobicContact CD2-CZ 3.6Å; Y17-F1051 HydrophobicContact CE1-CZ 4.39Å; Y17-F1051 HydrophobicContact CE2-CZ 4.1Å; Y17-F1051 AromaticContact CG-CE1 3.73Å; Y17-F1051 HydrophobicContact CG-CE1 3.73Å; Y17-F1051 HydrophobicContact CG-CE2 4.5Å; Y17-F1051 AromaticContact CG-CZ 3.48Å; Y17-F1051 HydrophobicContact CG-CZ 3.48Å; Y17-F1051 VanDerWaalsContact CG-CZ 3.48Å; F18-F1051 HydrophobicContact CD1-CE1 4.36Å; F18-F1051 HydrophobicContact CE1-CD1 4.16Å; F18-F1051 HydrophobicContact CE1-CE1 4.03Å; I21-F1051 HydrophobicContact CD1-CD1 3.94Å; L1013-F1051 HydrophobicContact CD2-CE2 4.39Å; L1013-F1051 HydrophobicContact CD2-CZ 4.49Å; L1016-F1051 HydrophobicContact CB-CD2 3.66Å; L1016-F1051 HydrophobicContact CB-CE2 4.08Å; V1020-F1051 HydrophobicContact CG2-CB 3.46Å; V1020-F1051 VanDerWaalsContact CG2-CB 3.46Å; V1020-F1051 HydrophobicContact CG2-CD2 4.06Å; V1020-F1051 HydrophobicContact CG2-CG 3.82Å; E1047-F1051 VanDerWaalsContact O-CB 3.29Å; E1047-F1051 WeakPolarHBondContact O-CB 3.5Å; E1047-F1051 PolarHBondContact O-N 2.71Å; A1048-F1051 PolarHBondContact O-N 3.32Å; S1049-F1051 VanDerWaalsContact C-N 3.28Å; S1049-F1051 PolarHBondContact O-N 3.17Å; F1051-V1053 PolarHBondContact O-N 2.89Å; F1051-S1054 PolarHBondContact O-N 3.24Å; F1051-C1055 WeakPolarHBondContact CE1-SG 3.43Å; F1051-C1055 VanDerWaalsContact CZ-SG 3.51Å; F1051-C1055 WeakPolarHBondContact O-CB 3.44Å; F1051-C1055 PolarHBondContact O-N 3Å; F1051-C1055 PolarHBondContact O-SG 3.22Å |
| 1052 | V | 97.3 | Very high | 95.9 | Very high | 54 Ų | 54 | 19.5 Ų | 19.5 | 33% | 0.327 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 177 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F18 A1048 S1049 C1055 C1056 | F18-V1052 HydrophobicContact CD1-CG2 3.86Å; F18-V1052 HydrophobicContact CE1-CB 4.09Å; F18-V1052 HydrophobicContact CE1-CG1 4.25Å; F18-V1052 HydrophobicContact CE1-CG2 3.61Å; F18-V1052 HydrophobicContact CZ-CB 4.38Å; F18-V1052 HydrophobicContact CZ-CG1 4.09Å; F18-V1052 HydrophobicContact CZ-CG2 4.27Å; A1048-V1052 WeakPolarHBondContact O-CG2 3.4Å; A1048-V1052 PolarHBondContact O-N 2.66Å; S1049-V1052 PolarHBondContact O-N 3.43Å; V1052-C1055 WeakPolarHBondContact O-CB 3.43Å; V1052-C1055 PolarHBondContact O-N 2.76Å; V1052-C1056 PolarHBondContact O-N 2.99Å; V1052-C1056 VanDerWaalsContact O-N 3.11Å; V1052-C1056 PolarHBondContact O-SG 2.94Å |
| 1053 | V | 97.6 | Very high | 96.4 | Very high | 25 Ų | 25 | 21.3 Ų | 21.3 | 15% | 0.152 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 176.7 | 173 | 0 | 0 | 0 | 0 | 110.5 | F950 I954 S1049 F1051 C1055 C1056 F1057 | F950-V1053 HydrophobicContact CB-CB 4.38Å; F950-V1053 HydrophobicContact CB-CG1 3.94Å; F950-V1053 HydrophobicContact CD2-CB 4.46Å; F950-V1053 HydrophobicContact CD2-CG2 3.87Å; F950-V1053 HydrophobicContact CE2-CG2 4.48Å; F950-V1053 HydrophobicContact CG-CB 4.5Å; F950-V1053 HydrophobicContact CG-CG2 4.38Å; I954-V1053 HydrophobicContact CD1-CG1 3.93Å; I954-V1053 HydrophobicContact CG1-CG1 3.44Å; I954-V1053 VanDerWaalsContact CG1-CG1 3.44Å; S1049-V1053 WeakPolarHBondContact O-CG2 3.29Å; S1049-V1053 PolarHBondContact O-N 3.36Å; F1051-V1053 PolarHBondContact O-N 2.89Å; V1053-C1055 VanDerWaalsContact C-N 3.3Å; V1053-C1055 PolarHBondContact O-N 3.24Å; V1053-C1056 PolarHBondContact O-N 3.47Å; V1053-C1056 VanDerWaalsContact O-N 3.15Å; V1053-F1057 HydrophobicContact CG1-CD2 3.8Å; V1053-F1057 HydrophobicContact CG1-CE2 4.06Å; V1053-F1057 WeakPolarHBondContact O-CD2 3.21Å; V1053-F1057 PolarHBondContact O-N 2.77Å |
| 1054 | S | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | A957 G1050 F1051 L1058 | A957-S1054 WeakPolarHBondContact CB-O 3.3Å; G1050-S1054 VanDerWaalsContact O-CB 3.25Å; G1050-S1054 WeakPolarHBondContact O-CB 3.25Å; G1050-S1054 PolarHBondContact O-N 3.26Å; G1050-S1054 PolarHBondContact O-OG 2.88Å; F1051-S1054 PolarHBondContact O-N 3.24Å; S1054-L1058 WeakPolarHBondContact O-CB 3.3Å; S1054-L1058 PolarHBondContact O-N 2.96Å |
| 1055 | C | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 174.2 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | C14 F18 L1013 F1051 V1052 V1053 F1057 L1058 L1059 | C14-C1055 HydrophobicContact CB-CB 4.42Å; C14-C1055 VanDerWaalsContact SG-SG 3.6Å; F18-C1055 HydrophobicContact CE1-CB 4.23Å; F18-C1055 HydrophobicContact CZ-CB 3.89Å; L1013-C1055 VanDerWaalsContact CD2-SG 3.53Å; F1051-C1055 WeakPolarHBondContact CE1-SG 3.43Å; F1051-C1055 VanDerWaalsContact CZ-SG 3.51Å; F1051-C1055 WeakPolarHBondContact O-CB 3.44Å; F1051-C1055 PolarHBondContact O-N 3Å; F1051-C1055 PolarHBondContact O-SG 3.22Å; V1052-C1055 WeakPolarHBondContact O-CB 3.43Å; V1052-C1055 PolarHBondContact O-N 2.76Å; V1053-C1055 VanDerWaalsContact C-N 3.3Å; V1053-C1055 PolarHBondContact O-N 3.24Å; C1055-F1057 PolarHBondContact O-N 3.28Å; C1055-L1058 PolarHBondContact O-N 3.11Å; C1055-L1059 VanDerWaalsContact O-CG 3.28Å; C1055-L1059 WeakPolarHBondContact O-CG 3.41Å; C1055-L1059 PolarHBondContact O-N 3.3Å |
| 1056 | C | 97.5 | Very high | 96.8 | Very high | 60 Ų | 60 | 20.4 Ų | 20.4 | 41% | 0.405 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -60.5 | -47.5 | -179.5 | -64 | 0 | 0 | 0 | 0 | 111.2 | V1052 V1053 L1059 I1060 | V1052-C1056 PolarHBondContact O-N 2.99Å; V1052-C1056 VanDerWaalsContact O-N 3.11Å; V1052-C1056 PolarHBondContact O-SG 2.94Å; V1053-C1056 PolarHBondContact O-N 3.47Å; V1053-C1056 VanDerWaalsContact O-N 3.15Å; C1056-L1059 WeakPolarHBondContact O-CB 3.19Å; C1056-L1059 PolarHBondContact O-N 3.36Å; C1056-I1060 WeakPolarHBondContact O-CG1 3.36Å; C1056-I1060 PolarHBondContact O-N 3.03Å |
| 1057 | F | 98.2 | Very high | 96.9 | Very high | 36 Ų | 36 | 22.3 Ų | 22.3 | 16% | 0.158 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -76.2 | -29.3 | -177.1 | -81.3 | -82.7 | 0 | 0 | 0 | 113.7 | L845 L947 I954 A957 V958 V1053 C1055 I1060 G1061 | L845-F1057 HydrophobicContact CD2-CD1 4.31Å; L845-F1057 HydrophobicContact CD2-CE1 4.2Å; L947-F1057 HydrophobicContact CD2-CE2 4.15Å; L947-F1057 HydrophobicContact CD2-CZ 3.75Å; I954-F1057 HydrophobicContact CB-CD2 4.4Å; I954-F1057 HydrophobicContact CB-CG 4.33Å; I954-F1057 HydrophobicContact CD1-CD2 4.38Å; I954-F1057 HydrophobicContact CD1-CE2 3.94Å; I954-F1057 HydrophobicContact CD1-CZ 4.22Å; I954-F1057 HydrophobicContact CG1-CD2 3.71Å; I954-F1057 HydrophobicContact CG1-CE2 3.79Å; I954-F1057 HydrophobicContact CG1-CG 4.13Å; I954-F1057 HydrophobicContact CG1-CZ 4.28Å; I954-F1057 HydrophobicContact CG2-CB 4.46Å; I954-F1057 HydrophobicContact CG2-CD1 3.56Å; I954-F1057 HydrophobicContact CG2-CD2 4.17Å; I954-F1057 HydrophobicContact CG2-CE1 3.68Å; I954-F1057 HydrophobicContact CG2-CE2 4.28Å; I954-F1057 HydrophobicContact CG2-CG 3.8Å; I954-F1057 HydrophobicContact CG2-CZ 4.04Å; A957-F1057 HydrophobicContact CB-CB 4.08Å; V958-F1057 HydrophobicContact CG2-CB 3.81Å; V958-F1057 HydrophobicContact CG2-CD1 3.65Å; V958-F1057 HydrophobicContact CG2-CG 4.2Å; V1053-F1057 HydrophobicContact CG1-CD2 3.8Å; V1053-F1057 HydrophobicContact CG1-CE2 4.06Å; V1053-F1057 WeakPolarHBondContact O-CD2 3.21Å; V1053-F1057 PolarHBondContact O-N 2.77Å; C1055-F1057 PolarHBondContact O-N 3.28Å; F1057-I1060 HydrophobicContact CD1-CD1 3.86Å; F1057-I1060 HydrophobicContact CE1-CD1 4.07Å; F1057-I1060 HydrophobicContact CG-CD1 4.35Å; F1057-I1060 PolarHBondContact O-N 3.34Å; F1057-G1061 PolarHBondContact O-N 3.43Å |
| 1058 | L | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 167.4 | 178.7 | 69.1 | 0 | 0 | 0 | 111 | A957 C960 Y1012 L1013 S1054 C1055 I1060 G1061 V1062 | A957-L1058 HydrophobicContact CB-CB 4.35Å; C960-L1058 HydrophobicContact CB-CD1 3.75Å; Y1012-L1058 HydrophobicContact CD1-CD1 4.04Å; Y1012-L1058 HydrophobicContact CD1-CD2 4.05Å; L1013-L1058 HydrophobicContact CD1-CD2 4.05Å; L1013-L1058 HydrophobicContact CD2-CD2 3.73Å; L1013-L1058 HydrophobicContact CG-CD2 3.63Å; S1054-L1058 WeakPolarHBondContact O-CB 3.3Å; S1054-L1058 PolarHBondContact O-N 2.96Å; C1055-L1058 PolarHBondContact O-N 3.11Å; L1058-I1060 VanDerWaalsContact C-N 3.31Å; L1058-I1060 PolarHBondContact O-N 2.96Å; L1058-G1061 PolarHBondContact O-N 2.87Å; L1058-V1062 HydrophobicContact CD1-CG2 4.41Å; L1058-V1062 HydrophobicContact CG-CG2 4.46Å; L1058-V1062 WeakPolarHBondContact O-CG2 3.33Å; L1058-V1062 PolarHBondContact O-N 3.36Å |
| 1059 | L | 97.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 21.5 Ų | 21.5 | 13% | 0.131 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -37.2 | 177 | -71.6 | 168.7 | 0 | 0 | 0 | 111.7 | L7 L10 L11 C1055 C1056 T1063 | L7-L1059 HydrophobicContact CD2-CD2 4.29Å; L10-L1059 HydrophobicContact CB-CD2 3.73Å; L10-L1059 HydrophobicContact CD1-CD2 4.25Å; L11-L1059 HydrophobicContact CD2-CD1 3.6Å; L11-L1059 HydrophobicContact CD2-CD2 4.47Å; L11-L1059 HydrophobicContact CG-CD1 4.38Å; L11-L1059 HydrophobicContact CG-CD2 4.41Å; C1055-L1059 VanDerWaalsContact O-CG 3.28Å; C1055-L1059 WeakPolarHBondContact O-CG 3.41Å; C1055-L1059 PolarHBondContact O-N 3.3Å; C1056-L1059 WeakPolarHBondContact O-CB 3.19Å; C1056-L1059 PolarHBondContact O-N 3.36Å; L1059-T1063 WeakPolarHBondContact O-CB 3.3Å; L1059-T1063 PolarHBondContact O-N 3.21Å; L1059-T1063 PolarHBondContact O-OG1 3.34Å |
| 1060 | I | 97.1 | Very high | 96.3 | Very high | 59 Ų | 59 | 22 Ų | 22 | 30% | 0.303 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.4 | -50.5 | 172.3 | -69.1 | 167.5 | 0 | 0 | 0 | 110.3 | W757 C1056 F1057 L1058 V1062 T1063 L1064 | W757-I1060 HydrophobicContact CZ3-CG2 4.28Å; C1056-I1060 WeakPolarHBondContact O-CG1 3.36Å; C1056-I1060 PolarHBondContact O-N 3.03Å; F1057-I1060 HydrophobicContact CD1-CD1 3.86Å; F1057-I1060 HydrophobicContact CE1-CD1 4.07Å; F1057-I1060 HydrophobicContact CG-CD1 4.35Å; F1057-I1060 PolarHBondContact O-N 3.34Å; L1058-I1060 VanDerWaalsContact C-N 3.31Å; L1058-I1060 PolarHBondContact O-N 2.96Å; I1060-V1062 PolarHBondContact O-N 3.26Å; I1060-T1063 PolarHBondContact O-N 3.49Å; I1060-L1064 WeakPolarHBondContact O-CB 3.2Å; I1060-L1064 PolarHBondContact O-N 3.4Å |
| 1061 | G | 97 | Very high | 96 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1057 L1058 T1063 L1064 V1065 | F1057-G1061 PolarHBondContact O-N 3.43Å; L1058-G1061 PolarHBondContact O-N 2.87Å; G1061-T1063 PolarHBondContact O-N 3.02Å; G1061-L1064 PolarHBondContact O-N 2.94Å; G1061-V1065 WeakPolarHBondContact O-CG2 3.29Å; G1061-V1065 PolarHBondContact O-N 3.39Å |
| 1062 | V | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | V6 L7 L10 L1005 S1009 L1058 I1060 L1064 V1065 L1066 | V6-V1062 HydrophobicContact CG1-CG1 4.32Å; L7-V1062 HydrophobicContact CD2-CG1 3.86Å; L10-V1062 HydrophobicContact CD1-CG1 4.24Å; L10-V1062 HydrophobicContact CD1-CG2 4.32Å; L1005-V1062 HydrophobicContact CD1-CG2 4.37Å; L1005-V1062 HydrophobicContact CD2-CG1 4.05Å; L1005-V1062 HydrophobicContact CG-CG1 4.38Å; S1009-V1062 WeakPolarHBondContact OG-CG2 3.34Å; L1058-V1062 HydrophobicContact CD1-CG2 4.41Å; L1058-V1062 HydrophobicContact CG-CG2 4.46Å; L1058-V1062 WeakPolarHBondContact O-CG2 3.33Å; L1058-V1062 PolarHBondContact O-N 3.36Å; I1060-V1062 PolarHBondContact O-N 3.26Å; V1062-L1064 VanDerWaalsContact C-N 3.35Å; V1062-L1064 PolarHBondContact O-N 3.37Å; V1062-V1065 WeakPolarHBondContact O-CB 3.36Å; V1062-V1065 PolarHBondContact O-N 3.46Å; V1062-L1066 HydrophobicContact CG1-CD1 4.26Å; V1062-L1066 WeakPolarHBondContact O-CG 3.43Å; V1062-L1066 PolarHBondContact O-N 3.07Å |
| 1063 | T | 96.9 | Very high | 94.8 | Very high | 42 Ų | 42 | 20.1 Ų | 20.1 | 26% | 0.258 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -65.6 | -39 | 178.6 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | L7 W757 L1059 I1060 G1061 L1066 R1067 | L7-T1063 WeakPolarHBondContact CD2-OG1 3.41Å; W757-T1063 HydrophobicContact CH2-CG2 3.6Å; W757-T1063 HydrophobicContact CZ2-CG2 3.7Å; L1059-T1063 WeakPolarHBondContact O-CB 3.3Å; L1059-T1063 PolarHBondContact O-N 3.21Å; L1059-T1063 PolarHBondContact O-OG1 3.34Å; I1060-T1063 PolarHBondContact O-N 3.49Å; G1061-T1063 PolarHBondContact O-N 3.02Å; T1063-L1066 PolarHBondContact O-N 3.27Å; T1063-R1067 WeakPolarHBondContact O-CB 3.31Å; T1063-R1067 PolarHBondContact O-N 2.92Å |
| 1064 | L | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 174.4 | -179.7 | 59.3 | 0 | 0 | 0 | 111.2 | I756 W757 L838 H841 I1060 G1061 V1062 L1066 R1067 V1068 | I756-L1064 HydrophobicContact CG2-CD1 4.05Å; I756-L1064 HydrophobicContact CG2-CD2 4.43Å; W757-L1064 HydrophobicContact CE3-CD1 4.21Å; W757-L1064 HydrophobicContact CZ3-CB 4.15Å; L838-L1064 HydrophobicContact CD1-CD2 3.99Å; H841-L1064 HydrophobicContact CB-CD2 3.79Å; I1060-L1064 WeakPolarHBondContact O-CB 3.2Å; I1060-L1064 PolarHBondContact O-N 3.4Å; G1061-L1064 PolarHBondContact O-N 2.94Å; V1062-L1064 VanDerWaalsContact C-N 3.35Å; V1062-L1064 PolarHBondContact O-N 3.37Å; L1064-L1066 VanDerWaalsContact C-N 3.33Å; L1064-L1066 PolarHBondContact O-N 3.04Å; L1064-R1067 WeakPolarHBondContact O-CB 3.41Å; L1064-R1067 PolarHBondContact O-N 2.87Å; L1064-R1067 VanDerWaalsContact O-N 3.13Å; L1064-V1068 VanDerWaalsContact O-CG2 3.25Å; L1064-V1068 WeakPolarHBondContact O-CG2 3.5Å; L1064-V1068 PolarHBondContact O-N 3.07Å |
| 1065 | V | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.4 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | Y834 L838 P961 F965 F1001 L1005 G1061 V1062 R1067 V1068 D1069 | Y834-V1065 HydrophobicContact CD1-CG1 4.34Å; L838-V1065 HydrophobicContact CD2-CG2 4.35Å; P961-V1065 HydrophobicContact CB-CG2 3.85Å; P961-V1065 HydrophobicContact CG-CG2 4.17Å; F965-V1065 HydrophobicContact CE2-CG2 3.78Å; F965-V1065 HydrophobicContact CZ-CB 4.43Å; F965-V1065 HydrophobicContact CZ-CG1 3.74Å; F965-V1065 HydrophobicContact CZ-CG2 3.75Å; F1001-V1065 HydrophobicContact CE2-CG1 4.41Å; F1001-V1065 HydrophobicContact CZ-CG1 3.77Å; L1005-V1065 HydrophobicContact CD2-CG1 4.11Å; G1061-V1065 WeakPolarHBondContact O-CG2 3.29Å; G1061-V1065 PolarHBondContact O-N 3.39Å; V1062-V1065 WeakPolarHBondContact O-CB 3.36Å; V1062-V1065 PolarHBondContact O-N 3.46Å; V1065-R1067 VanDerWaalsContact C-N 3.32Å; V1065-R1067 PolarHBondContact O-N 2.78Å; V1065-V1068 WeakPolarHBondContact O-CB 3.25Å; V1065-V1068 PolarHBondContact O-N 2.68Å; V1065-D1069 PolarHBondContact O-N 3.5Å |
| 1066 | L | 94.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 177.3 | -66 | 175.7 | 0 | 0 | 0 | 112 | M1 L7 L1005 V1062 T1063 L1064 D1069 V1070 | M1-L1066 HydrophobicContact CE-CD2 3.52Å; M1-L1066 HydrophobicContact SD-CD2 4.19Å; L7-L1066 HydrophobicContact CD1-CD1 3.69Å; L7-L1066 HydrophobicContact CD2-CD1 4.19Å; L7-L1066 HydrophobicContact CG-CD1 3.66Å; L1005-L1066 HydrophobicContact CD2-CD2 4.27Å; V1062-L1066 HydrophobicContact CG1-CD1 4.26Å; V1062-L1066 WeakPolarHBondContact O-CG 3.43Å; V1062-L1066 PolarHBondContact O-N 3.07Å; T1063-L1066 PolarHBondContact O-N 3.27Å; L1064-L1066 VanDerWaalsContact C-N 3.33Å; L1064-L1066 PolarHBondContact O-N 3.04Å; L1066-D1069 PolarHBondContact O-N 3.07Å; L1066-V1070 WeakPolarHBondContact O-CG2 3.32Å; L1066-V1070 PolarHBondContact O-N 3.31Å; L1066-V1070 VanDerWaalsContact O-N 3.08Å |
| 1067 | R | 94.8 | Very high | 91.4 | Very high | 59 Ų | 59 | 28.9 Ų | 28.9 | 22% | 0.223 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 176 | 179.4 | 65 | -172.7 | 121.9 | 3 | 111.1 | W757 A758 P760 T1063 L1064 V1065 V1070 A1071 | W757-R1067 PolarHBondContact O-NE 3.42Å; A758-R1067 PolarHBondContact O-NH2 3.18Å; P760-R1067 HydrophobicContact CG-CG 4.26Å; T1063-R1067 WeakPolarHBondContact O-CB 3.31Å; T1063-R1067 PolarHBondContact O-N 2.92Å; L1064-R1067 WeakPolarHBondContact O-CB 3.41Å; L1064-R1067 PolarHBondContact O-N 2.87Å; L1064-R1067 VanDerWaalsContact O-N 3.13Å; V1065-R1067 VanDerWaalsContact C-N 3.32Å; V1065-R1067 PolarHBondContact O-N 2.78Å; R1067-V1070 PolarHBondContact O-N 3.47Å; R1067-A1071 WeakPolarHBondContact O-CB 3.34Å; R1067-A1071 PolarHBondContact O-N 2.99Å |
| 1068 | V | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 172 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | P760 V833 Y834 P837 L1064 V1065 V1070 A1071 V1072 | P760-V1068 HydrophobicContact CB-CG2 3.79Å; P760-V1068 HydrophobicContact CG-CG2 4.43Å; V833-V1068 HydrophobicContact CG2-CG1 4.49Å; V833-V1068 VanDerWaalsContact O-CG1 3.28Å; V833-V1068 WeakPolarHBondContact O-CG1 3.5Å; Y834-V1068 HydrophobicContact CD1-CB 4.02Å; Y834-V1068 HydrophobicContact CD1-CG1 3.56Å; Y834-V1068 HydrophobicContact CE1-CB 4.38Å; Y834-V1068 HydrophobicContact CE1-CG1 3.92Å; Y834-V1068 HydrophobicContact CG-CG1 4.39Å; P837-V1068 HydrophobicContact CB-CG2 4.26Å; P837-V1068 HydrophobicContact CG-CG1 4.43Å; P837-V1068 HydrophobicContact CG-CG2 3.68Å; L1064-V1068 VanDerWaalsContact O-CG2 3.25Å; L1064-V1068 WeakPolarHBondContact O-CG2 3.5Å; L1064-V1068 PolarHBondContact O-N 3.07Å; V1065-V1068 WeakPolarHBondContact O-CB 3.25Å; V1065-V1068 PolarHBondContact O-N 2.68Å; V1068-V1070 VanDerWaalsContact C-N 3.28Å; V1068-V1070 PolarHBondContact O-N 3.43Å; V1068-A1071 WeakPolarHBondContact O-CB 3.46Å; V1068-A1071 PolarHBondContact O-N 2.97Å; V1068-V1072 HydrophobicContact CG1-CG2 4.1Å; V1068-V1072 WeakPolarHBondContact O-CG2 3.49Å; V1068-V1072 PolarHBondContact O-N 3.37Å |
| 1069 | D | 91.2 | Very high | 88.8 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.8 | -42.4 | 178.7 | 178.3 | 52 | 0 | 0 | 0 | 112.4 | M1 Y834 R995 V1065 L1066 G1073 | M1-D1069 WeakPolarHBondContact CB-OD2 3.45Å; M1-D1069 HydrophobicContact CG-CB 4.49Å; M1-D1069 WeakPolarHBondContact CG-OD2 3.37Å; M1-D1069 PolarHBondContact N-OD2 3.18Å; M1-D1069 VanDerWaalsContact N-OD2 3.14Å; M1-D1069 HydrophobicContact SD-CB 3.43Å; M1-D1069 WeakPolarHBondContact SD-CB 3.48Å; Y834-D1069 HydrophobicContact CE1-CB 4.02Å; Y834-D1069 PolarHBondContact OH-OD1 3.22Å; R995-D1069 IonicContact CZ-OD1 3.86Å; R995-D1069 PolarHBondContact NH1-O 3.34Å; R995-D1069 IonicContact NH1-OD1 3.14Å; R995-D1069 PolarHBondContact NH1-OD1 3.13Å; R995-D1069 PolarHBondContact NH2-O 3.15Å; R995-D1069 IonicContact NH2-OD1 3.98Å; V1065-D1069 PolarHBondContact O-N 3.5Å; L1066-D1069 PolarHBondContact O-N 3.07Å; D1069-G1073 PolarHBondContact O-N 2.84Å |
| 1070 | V | 90.9 | Very high | 87.1 | Confident | 65 Ų | 65 | 38 Ų | 38 | 39% | 0.394 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 111 | L1066 R1067 V1068 G1073 R1074 | L1066-V1070 WeakPolarHBondContact O-CG2 3.32Å; L1066-V1070 PolarHBondContact O-N 3.31Å; L1066-V1070 VanDerWaalsContact O-N 3.08Å; R1067-V1070 PolarHBondContact O-N 3.47Å; V1068-V1070 VanDerWaalsContact C-N 3.28Å; V1068-V1070 PolarHBondContact O-N 3.43Å; V1070-G1073 PolarHBondContact O-N 3.15Å; V1070-R1074 WeakPolarHBondContact O-CG 3.41Å; V1070-R1074 PolarHBondContact O-N 3.31Å |
| 1071 | A | 90.3 | Very high | 85.1 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -46.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P760 L761 R1067 V1068 G1073 R1074 W1075 | P760-A1071 HydrophobicContact CG-CB 3.58Å; L761-A1071 HydrophobicContact CD1-CB 4.08Å; L761-A1071 HydrophobicContact CD2-CB 3.94Å; L761-A1071 HydrophobicContact CG-CB 3.81Å; R1067-A1071 WeakPolarHBondContact O-CB 3.34Å; R1067-A1071 PolarHBondContact O-N 2.99Å; V1068-A1071 WeakPolarHBondContact O-CB 3.46Å; V1068-A1071 PolarHBondContact O-N 2.97Å; A1071-G1073 VanDerWaalsContact C-N 3.26Å; A1071-G1073 PolarHBondContact O-N 3.12Å; A1071-R1074 PolarHBondContact O-N 3.28Å; A1071-R1074 VanDerWaalsContact O-N 3.14Å; A1071-W1075 WeakPolarHBondContact O-CB 3.3Å; A1071-W1075 PolarHBondContact O-N 3.4Å |
| 1072 | V | 86.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | L761 V833 R995 V1068 R1074 W1075 F1076 | L761-V1072 HydrophobicContact CD2-CB 4.29Å; L761-V1072 HydrophobicContact CD2-CG2 3.4Å; L761-V1072 VanDerWaalsContact CD2-CG2 3.4Å; V833-V1072 HydrophobicContact CG2-CG2 3.31Å; R995-V1072 VanDerWaalsContact NH1-CB 3.29Å; R995-V1072 VanDerWaalsContact NH1-CG1 3.26Å; V1068-V1072 HydrophobicContact CG1-CG2 4.1Å; V1068-V1072 WeakPolarHBondContact O-CG2 3.49Å; V1068-V1072 PolarHBondContact O-N 3.37Å; V1072-R1074 PolarHBondContact O-N 2.99Å; V1072-W1075 WeakPolarHBondContact O-CB 3.27Å; V1072-W1075 PolarHBondContact O-N 3.3Å; V1072-F1076 HydrophobicContact CG1-CD2 3.7Å; V1072-F1076 HydrophobicContact CG1-CE2 3.52Å; V1072-F1076 VanDerWaalsContact O-CD2 3.26Å; V1072-F1076 WeakPolarHBondContact O-CD2 3.49Å; V1072-F1076 PolarHBondContact O-N 3.42Å |
| 1073 | G | 83.6 | Confident | 80 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R995 D1069 V1070 A1071 W1075 K1077 | R995-G1073 VanDerWaalsContact NH2-N 3.17Å; D1069-G1073 PolarHBondContact O-N 2.84Å; V1070-G1073 PolarHBondContact O-N 3.15Å; A1071-G1073 VanDerWaalsContact C-N 3.26Å; A1071-G1073 PolarHBondContact O-N 3.12Å; G1073-W1075 VanDerWaalsContact C-N 3.35Å; G1073-K1077 WeakPolarHBondContact O-CG 3.35Å; G1073-K1077 PolarHBondContact O-N 2.82Å; G1073-K1077 VanDerWaalsContact O-N 3.14Å |
| 1074 | R | 85 | Confident | 77.4 | Confident | 140 Ų | 140 | 50.4 Ų | 50.4 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 173.2 | -66.4 | 179.4 | -161.5 | 169.6 | 3.3 | 111.2 | V1070 A1071 V1072 K1077 K1078 | V1070-R1074 WeakPolarHBondContact O-CG 3.41Å; V1070-R1074 PolarHBondContact O-N 3.31Å; A1071-R1074 PolarHBondContact O-N 3.28Å; A1071-R1074 VanDerWaalsContact O-N 3.14Å; V1072-R1074 PolarHBondContact O-N 2.99Å; R1074-K1077 WeakPolarHBondContact O-CB 3.43Å; R1074-K1077 PolarHBondContact O-N 2.91Å; R1074-K1078 WeakPolarHBondContact O-CG 3.45Å; R1074-K1078 PolarHBondContact O-N 3.29Å |
| 1075 | W | 82.9 | Confident | 74.7 | Confident | 43 Ų | 43 | 57.2 Ų | 57.2 | 16% | 0.163 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 177.1 | 179.7 | 84.1 | 0 | 0 | 0 | 111.3 | L761 V763 L765 L830 A1071 V1072 G1073 K1077 K1078 L1079 | L761-W1075 HydrophobicContact CD1-CB 3.78Å; L761-W1075 HydrophobicContact CD1-CG 4.18Å; V763-W1075 HydrophobicContact CG1-CH2 3.74Å; V763-W1075 HydrophobicContact CG1-CZ2 3.51Å; V763-W1075 HydrophobicContact CG1-CZ3 4.42Å; L765-W1075 HydrophobicContact CD1-CH2 4.25Å; L765-W1075 HydrophobicContact CD1-CZ2 3.82Å; L830-W1075 HydrophobicContact CD1-CH2 4.34Å; L830-W1075 HydrophobicContact CD2-CH2 4.12Å; L830-W1075 HydrophobicContact CD2-CZ3 3.93Å; A1071-W1075 WeakPolarHBondContact O-CB 3.3Å; A1071-W1075 PolarHBondContact O-N 3.4Å; V1072-W1075 WeakPolarHBondContact O-CB 3.27Å; V1072-W1075 PolarHBondContact O-N 3.3Å; G1073-W1075 VanDerWaalsContact C-N 3.35Å; W1075-K1077 VanDerWaalsContact C-N 3.35Å; W1075-K1077 PolarHBondContact O-N 3.3Å; W1075-K1078 WeakPolarHBondContact O-CB 3.4Å; W1075-K1078 PolarHBondContact O-N 3.24Å; W1075-K1078 VanDerWaalsContact O-N 3.08Å; W1075-L1079 HydrophobicContact CD2-CD1 3.92Å; W1075-L1079 HydrophobicContact CE3-CD1 3.77Å; W1075-L1079 HydrophobicContact CH2-CD1 3.48Å; W1075-L1079 VanDerWaalsContact CH2-CD1 3.48Å; W1075-L1079 HydrophobicContact CZ2-CD1 3.64Å; W1075-L1079 HydrophobicContact CZ3-CD1 3.55Å; W1075-L1079 PolarHBondContact O-N 2.95Å |
| 1076 | F | 77.1 | Confident | 72 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | 174.5 | -82.2 | -70.7 | 0 | 0 | 0 | 113.6 | I798 L830 M992 V1072 K1078 L1079 | I798-F1076 HydrophobicContact CD1-CB 3.9Å; I798-F1076 HydrophobicContact CD1-CG 4.48Å; I798-F1076 HydrophobicContact CG1-CB 3.87Å; I798-F1076 HydrophobicContact CG1-CG 4.28Å; I798-F1076 HydrophobicContact CG2-CB 4.2Å; I798-F1076 HydrophobicContact CG2-CD1 3.85Å; I798-F1076 HydrophobicContact CG2-CD2 3.77Å; I798-F1076 HydrophobicContact CG2-CE1 4.1Å; I798-F1076 HydrophobicContact CG2-CE2 4.06Å; I798-F1076 HydrophobicContact CG2-CG 3.67Å; I798-F1076 HydrophobicContact CG2-CZ 4.21Å; L830-F1076 HydrophobicContact CD2-CZ 4.46Å; M992-F1076 HydrophobicContact CE-CE2 3.56Å; M992-F1076 HydrophobicContact CE-CZ 3.73Å; V1072-F1076 HydrophobicContact CG1-CD2 3.7Å; V1072-F1076 HydrophobicContact CG1-CE2 3.52Å; V1072-F1076 VanDerWaalsContact O-CD2 3.26Å; V1072-F1076 WeakPolarHBondContact O-CD2 3.49Å; V1072-F1076 PolarHBondContact O-N 3.42Å; F1076-K1078 PolarHBondContact O-N 3.35Å; F1076-L1079 HydrophobicContact CD1-CD1 4.41Å; F1076-L1079 PolarHBondContact O-N 3.27Å; F1076-L1079 VanDerWaalsContact O-N 3.1Å |
| 1077 | K | 74.1 | Confident | 69.3 | Low | 84 Ų | 84 | 70.3 Ų | 70.3 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.7 | -30.2 | 175 | -79.3 | 176.6 | 174.5 | -174.8 | 0 | 113.3 | L794 G1073 R1074 W1075 | L794-K1077 HydrophobicContact CD1-CG 3.98Å; L794-K1077 HydrophobicContact CD2-CD 3.86Å; L794-K1077 HydrophobicContact CD2-CG 3.5Å; L794-K1077 VanDerWaalsContact CD2-CG 3.5Å; L794-K1077 HydrophobicContact CG-CG 4.37Å; G1073-K1077 WeakPolarHBondContact O-CG 3.35Å; G1073-K1077 PolarHBondContact O-N 2.82Å; G1073-K1077 VanDerWaalsContact O-N 3.14Å; R1074-K1077 WeakPolarHBondContact O-CB 3.43Å; R1074-K1077 PolarHBondContact O-N 2.91Å; W1075-K1077 VanDerWaalsContact C-N 3.35Å; W1075-K1077 PolarHBondContact O-N 3.3Å |
| 1078 | K | 74.4 | Confident | 66.5 | Low | 178 Ų | 178 | 72.4 Ų | 72.4 | 77% | 0.774 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -78.2 | -21.4 | 178.6 | -70.8 | 179.1 | 176.2 | -173.1 | 0 | 112.9 | R1074 W1075 F1076 I1080 | R1074-K1078 WeakPolarHBondContact O-CG 3.45Å; R1074-K1078 PolarHBondContact O-N 3.29Å; W1075-K1078 WeakPolarHBondContact O-CB 3.4Å; W1075-K1078 PolarHBondContact O-N 3.24Å; W1075-K1078 VanDerWaalsContact O-N 3.08Å; F1076-K1078 PolarHBondContact O-N 3.35Å; K1078-I1080 VanDerWaalsContact C-N 3.34Å |
| 1079 | L | 67.9 | Low | 63.8 | Low | 46 Ų | 46 | 80 Ų | 80 | 24% | 0.241 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -83.8 | -7.8 | 179.9 | -68.2 | 168.1 | 0 | 0 | 0 | 113.5 | L765 M805 W1075 F1076 | L765-L1079 HydrophobicContact CD1-CD1 4.38Å; L765-L1079 HydrophobicContact CD1-CD2 3.91Å; L765-L1079 HydrophobicContact CD2-CD2 4.09Å; M805-L1079 HydrophobicContact CE-CD1 4.1Å; M805-L1079 HydrophobicContact CE-CD2 4.25Å; W1075-L1079 HydrophobicContact CD2-CD1 3.92Å; W1075-L1079 HydrophobicContact CE3-CD1 3.77Å; W1075-L1079 HydrophobicContact CH2-CD1 3.48Å; W1075-L1079 VanDerWaalsContact CH2-CD1 3.48Å; W1075-L1079 HydrophobicContact CZ2-CD1 3.64Å; W1075-L1079 HydrophobicContact CZ3-CD1 3.55Å; W1075-L1079 PolarHBondContact O-N 2.95Å; F1076-L1079 HydrophobicContact CD1-CD1 4.41Å; F1076-L1079 PolarHBondContact O-N 3.27Å; F1076-L1079 VanDerWaalsContact O-N 3.1Å |
| 1080 | I | 63 | Low | 61 | Low | 29 Ų | 29 | 82.4 Ų | 82.4 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -87.3 | 119.7 | 176.7 | -59.8 | 172.5 | 0 | 0 | 0 | 108.6 | L794 I801 K1078 S1084 | L794-I1080 HydrophobicContact CD1-CD1 3.42Å; L794-I1080 VanDerWaalsContact CD1-CD1 3.42Å; I801-I1080 HydrophobicContact CD1-CD1 3.84Å; I801-I1080 HydrophobicContact CD1-CG1 3.48Å; I801-I1080 VanDerWaalsContact CD1-CG1 3.48Å; K1078-I1080 VanDerWaalsContact C-N 3.34Å; I1080-S1084 WeakPolarHBondContact CG2-OG 3.27Å |
| 1081 | P | 55.5 | Low | 58.4 | Low | 100 Ų | 100 | 89.2 Ų | 89.2 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | trans | -62.6 | 142.7 | -178 | -17.5 | 28.1 | 0 | 0 | 0 | 113.1 | A1083 S1084 | P1081-A1083 PolarHBondContact O-N 2.98Å; P1081-S1084 PolarHBondContact O-N 2.96Å; P1081-S1084 PolarHBondContact O-OG 3.25Å | ||
| 1082 | D | 43.7 | Very low | 55.9 | Low | 108 Ų | 108 | 94.5 Ų | 94.5 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -61.2 | -15.8 | -176.3 | -77.5 | -45.3 | 0 | 0 | 0 | 115.1 | S1084 R1085 | D1082-S1084 PolarHBondContact O-N 3.17Å; D1082-S1084 VanDerWaalsContact O-N 3.16Å; D1082-R1085 PolarHBondContact O-N 3.45Å; D1082-R1085 IonicContact OD1-CZ 3.11Å; D1082-R1085 IonicContact OD1-NH1 2.85Å; D1082-R1085 PolarHBondContact OD1-NH1 3.02Å |
| 1083 | A | 41.8 | Very low | 53.5 | Low | 76 Ų | 76 | 99.7 Ų | 99.7 | 63% | 0.628 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -63.7 | -17.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1081 | P1081-A1083 PolarHBondContact O-N 2.98Š|
| 1084 | S | 43 | Very low | 51.1 | Low | 78 Ų | 78 | 108.9 Ų | 108.9 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -90.3 | -9.9 | 173.7 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | I1080 P1081 D1082 | I1080-S1084 WeakPolarHBondContact CG2-OG 3.27Å; P1081-S1084 PolarHBondContact O-N 2.96Å; P1081-S1084 PolarHBondContact O-OG 3.25Å; D1082-S1084 PolarHBondContact O-N 3.17Å; D1082-S1084 VanDerWaalsContact O-N 3.16Å |
| 1085 | R | 40.3 | Very low | 48.5 | Very low | 145 Ų | 145 | 110.4 Ų | 110.4 | 55% | 0.547 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | -25.2 | 178.4 | -79.9 | -178.9 | 179.4 | 155.1 | -0.1 | 113.7 | D1082 | D1082-R1085 PolarHBondContact O-N 3.45Å; D1082-R1085 IonicContact OD1-CZ 3.11Å; D1082-R1085 IonicContact OD1-NH1 2.85Å; D1082-R1085 PolarHBondContact OD1-NH1 3.02Å |
| 1086 | T | 37.4 | Very low | 46.5 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 66% | 0.663 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -8 | -173.7 | 35.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1087 | R | 38.7 | Very low | 44.4 | Very low | 184 Ų | 184 | 125.7 Ų | 125.7 | 69% | 0.694 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -8.3 | 178 | -79.1 | -171 | -174.7 | -172.6 | 2.2 | 115.6 | ||
| 1088 | S | 35.8 | Very low | 43 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -89.2 | -7.4 | 177.8 | 69.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1089 | L | 35.9 | Very low | 41.3 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -102.5 | 5.4 | 178.2 | -75.3 | 163.6 | 0 | 0 | 0 | 113.6 | ||
| 1090 | G | 33.6 | Very low | 39.8 | Very low | 60 Ų | 60 | 129.6 Ų | 129.6 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -100.2 | 1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1091 | F | 36 | Very low | 38.5 | Very low | 209 Ų | 209 | 135.5 Ų | 135.5 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -119.2 | 64.4 | 179.6 | -92.2 | -84.8 | 0 | 0 | 0 | 111.6 | ||
| 1092 | S | 36.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -158.8 | 76 | 154.3 | -166.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1093 | S | 37.5 | Very low | 37 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -172.8 | 137.6 | 147.2 | 51 | 0 | 0 | 0 | 0 | 109 | ||||
| 1094 | K | 33.9 | Very low | 36.6 | Very low | 203 Ų | 203 | 144.2 Ų | 144.2 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | 95.9 | 86.2 | 177 | -54.8 | -175.5 | 177.5 | -175.1 | 0 | 116.3 | ||||
| 1095 | L | 28.9 | Very low | 36.2 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | -119.1 | 139.2 | 124.6 | -96.5 | 158 | 0 | 0 | 0 | 107.6 | |||||
| 1096 | P | 42.5 | Very low | 35.8 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 66% | 0.656 | 81% | 0.811 | S | S | * | * | trans | -94.7 | 154 | -177.5 | 36.6 | -29.8 | 0 | 0 | 0 | 112.7 | ||||
| 1097 | H | 32.9 | Very low | 35.7 | Very low | 265 Ų | 265 | 153.5 Ų | 153.5 | 100% | 1.227 | 82% | 0.824 | S | S | * | * | trans | 68.3 | 0 | 171.7 | -67.9 | -61.3 | 0 | 0 | 0 | 118.5 |
Retrieved 1,097 of 1,097 residues in 1556.4 ms
(Link to these results)