| 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 | 29.2 | Very low | 41.3 | Very low | 117 Ų | 117 | 76.3 Ų | 76.3 | 58% | 0.576 | 43% | 0.431 | S | S | * | . | 0 | -56.5 | 0 | -75.5 | -121.2 | -76.6 | 0 | 0 | 112.1 | V3 G4 L5 L260 | M1-V3 PolarHBondContact O-N 2.87Å; M1-G4 WeakPolarHBondContact O-CA 3.08Å; M1-G4 PolarHBondContact O-N 3.07Å; M1-L5 PolarHBondContact O-N 2.87Å; M1-L260 HydrophobicContact CE-CD2 3.74Å; M1-L260 HydrophobicContact SD-CD2 4.44Å | |||
| 2 | S | 31.1 | Very low | 42.8 | Very low | 90 Ų | 90 | 76.2 Ų | 76.2 | 63% | 0.629 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -53.4 | -47.9 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | G4 L5 E6 | S2-G4 PolarHBondContact O-N 3.33Å; S2-L5 WeakPolarHBondContact O-CB 3.36Å; S2-L5 PolarHBondContact O-N 2.86Å; S2-L5 VanDerWaalsContact O-N 3.14Å; S2-E6 PolarHBondContact O-N 3.29Å; S2-E6 VanDerWaalsContact O-N 3.09Å |
| 3 | V | 35.5 | Very low | 44.2 | Very low | 91 Ų | 91 | 78.1 Ų | 78.1 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.2 | -33 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | M1 S7 | M1-V3 PolarHBondContact O-N 2.87Å; V3-S7 WeakPolarHBondContact O-CB 3.02Å; V3-S7 PolarHBondContact O-N 3.12Å; V3-S7 PolarHBondContact O-OG 3.43Å |
| 4 | G | 37.2 | Very low | 44.9 | Very low | 26 Ų | 26 | 73.3 Ų | 73.3 | 27% | 0.268 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 S2 S7 A8 | M1-G4 WeakPolarHBondContact O-CA 3.08Å; M1-G4 PolarHBondContact O-N 3.07Å; S2-G4 PolarHBondContact O-N 3.33Å; G4-S7 WeakPolarHBondContact CA-OG 3.26Å; G4-S7 PolarHBondContact O-N 3.45Å; G4-S7 PolarHBondContact O-OG 3.28Å; G4-A8 WeakPolarHBondContact O-CB 3.45Å; G4-A8 PolarHBondContact O-N 3.32Å |
| 5 | L | 39.1 | Very low | 46 | Very low | 130 Ų | 130 | 69.1 Ų | 69.1 | 68% | 0.681 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 175 | -84.8 | 141.4 | 0 | 0 | 0 | 112.2 | M1 S2 S7 A8 Q9 | M1-L5 PolarHBondContact O-N 2.87Å; S2-L5 WeakPolarHBondContact O-CB 3.36Å; S2-L5 PolarHBondContact O-N 2.86Å; S2-L5 VanDerWaalsContact O-N 3.14Å; L5-S7 VanDerWaalsContact C-N 3.35Å; L5-A8 WeakPolarHBondContact O-CB 3.1Å; L5-A8 PolarHBondContact O-N 3.5Å; L5-Q9 PolarHBondContact O-N 3.42Å |
| 6 | E | 36.9 | Very low | 47.2 | Very low | 132 Ų | 132 | 68.4 Ų | 68.4 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.5 | -40 | 174.4 | -73.6 | -175.1 | 176.2 | 0 | 0 | 111.9 | S2 A8 Q9 | S2-E6 PolarHBondContact O-N 3.29Å; S2-E6 VanDerWaalsContact O-N 3.09Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 3.23Å; E6-Q9 PolarHBondContact O-N 2.84Å |
| 7 | S | 44.9 | Very low | 47.7 | Very low | 44 Ų | 44 | 68 Ų | 68 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 176.3 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | V3 G4 L5 Q9 C10 F11 | V3-S7 WeakPolarHBondContact O-CB 3.02Å; V3-S7 PolarHBondContact O-N 3.12Å; V3-S7 PolarHBondContact O-OG 3.43Å; G4-S7 WeakPolarHBondContact CA-OG 3.26Å; G4-S7 PolarHBondContact O-N 3.45Å; G4-S7 PolarHBondContact O-OG 3.28Å; L5-S7 VanDerWaalsContact C-N 3.35Å; S7-Q9 VanDerWaalsContact C-N 3.31Å; S7-Q9 PolarHBondContact O-N 2.94Å; S7-C10 WeakPolarHBondContact O-CB 3.36Å; S7-C10 PolarHBondContact O-N 3.23Å; S7-F11 WeakPolarHBondContact O-CD2 3.24Å; S7-F11 PolarHBondContact O-N 2.97Å |
| 8 | A | 46 | Very low | 48.2 | Very low | 12 Ų | 12 | 64.2 Ų | 64.2 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | G4 L5 E6 C10 F11 D12 I221 | G4-A8 WeakPolarHBondContact O-CB 3.45Å; G4-A8 PolarHBondContact O-N 3.32Å; L5-A8 WeakPolarHBondContact O-CB 3.1Å; L5-A8 PolarHBondContact O-N 3.5Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 3.23Å; A8-C10 VanDerWaalsContact C-N 3.33Å; A8-C10 PolarHBondContact O-N 2.89Å; A8-F11 PolarHBondContact O-N 2.94Å; A8-D12 WeakPolarHBondContact O-CB 3.46Å; A8-D12 VanDerWaalsContact O-CG 3.27Å; A8-D12 PolarHBondContact O-N 3.44Å; A8-I221 HydrophobicContact CB-CD1 3.69Å |
| 9 | Q | 49.3 | Very low | 49.2 | Very low | 128 Ų | 128 | 62.7 Ų | 62.7 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | 178.9 | -169.2 | 169.2 | 4.2 | 0 | 0 | 112.3 | L5 E6 S7 F11 D12 D13 | L5-Q9 PolarHBondContact O-N 3.42Å; E6-Q9 PolarHBondContact O-N 2.84Å; S7-Q9 VanDerWaalsContact C-N 3.31Å; S7-Q9 PolarHBondContact O-N 2.94Å; Q9-F11 PolarHBondContact O-N 3.04Å; Q9-D12 PolarHBondContact O-N 3.08Å; Q9-D13 VanDerWaalsContact O-CG 3.3Å; Q9-D13 PolarHBondContact O-N 2.97Å |
| 10 | C | 49.4 | Very low | 50 | Low | 46 Ų | 46 | 63.3 Ų | 63.3 | 31% | 0.311 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 112.9 | S7 A8 T14 Y47 | S7-C10 WeakPolarHBondContact O-CB 3.36Å; S7-C10 PolarHBondContact O-N 3.23Å; A8-C10 VanDerWaalsContact C-N 3.33Å; A8-C10 PolarHBondContact O-N 2.89Å; C10-T14 PolarHBondContact O-N 3.29Å; C10-T14 PolarHBondContact O-OG1 3.5Å; C10-Y47 PolarHBondContact SG-OH 2.94Å |
| 11 | F | 56.3 | Low | 50.5 | Low | 23 Ų | 23 | 60.8 Ų | 60.8 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 173.7 | -68.1 | -67.7 | 0 | 0 | 0 | 111.8 | S7 A8 Q9 T14 S15 T51 I55 I216 Y220 | S7-F11 WeakPolarHBondContact O-CD2 3.24Å; S7-F11 PolarHBondContact O-N 2.97Å; A8-F11 PolarHBondContact O-N 2.94Å; Q9-F11 PolarHBondContact O-N 3.04Å; F11-T14 PolarHBondContact O-N 3.31Å; F11-S15 WeakPolarHBondContact O-CB 3.44Å; F11-S15 PolarHBondContact O-N 3.3Å; F11-T51 HydrophobicContact CD1-CG2 3.72Å; F11-T51 HydrophobicContact CE1-CG2 3.27Å; F11-T51 HydrophobicContact CZ-CG2 4.35Å; F11-I55 HydrophobicContact CE1-CD1 3.99Å; F11-I55 HydrophobicContact CE1-CG1 4.31Å; F11-I55 HydrophobicContact CZ-CG1 4.49Å; F11-I216 HydrophobicContact CD1-CG2 3.81Å; F11-Y220 HydrophobicContact CD2-CD1 4.28Å; F11-Y220 HydrophobicContact CD2-CE1 4.32Å; F11-Y220 HydrophobicContact CE1-CD1 4.28Å; F11-Y220 HydrophobicContact CE1-CE1 4.35Å; F11-Y220 AromaticContact CE2-CD1 3.9Å; F11-Y220 HydrophobicContact CE2-CD1 3.9Å; F11-Y220 AromaticContact CE2-CE1 3.54Å; F11-Y220 HydrophobicContact CE2-CE1 3.54Å; F11-Y220 AromaticContact CZ-CD1 3.9Å; F11-Y220 HydrophobicContact CZ-CD1 3.9Å; F11-Y220 AromaticContact CZ-CE1 3.56Å; F11-Y220 HydrophobicContact CZ-CE1 3.56Å |
| 12 | D | 59.3 | Low | 52 | Low | 75 Ų | 75 | 56.7 Ų | 56.7 | 40% | 0.401 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 178.8 | -72.2 | -20 | 0 | 0 | 0 | 111.4 | A8 Q9 T14 S15 A16 | A8-D12 WeakPolarHBondContact O-CB 3.46Å; A8-D12 VanDerWaalsContact O-CG 3.27Å; A8-D12 PolarHBondContact O-N 3.44Å; Q9-D12 PolarHBondContact O-N 3.08Å; D12-T14 VanDerWaalsContact C-N 3.34Å; D12-T14 PolarHBondContact O-N 3.25Å; D12-S15 PolarHBondContact O-N 2.82Å; D12-A16 WeakPolarHBondContact O-CB 3.45Å; D12-A16 PolarHBondContact O-N 2.78Å |
| 13 | D | 60.4 | Low | 53.5 | Low | 101 Ų | 101 | 56.3 Ų | 56.3 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 176.9 | -70.3 | -20.9 | 0 | 0 | 0 | 111.6 | Q9 A16 V17 | Q9-D13 VanDerWaalsContact O-CG 3.3Å; Q9-D13 PolarHBondContact O-N 2.97Å; D13-A16 PolarHBondContact O-N 3.3Å; D13-V17 WeakPolarHBondContact O-CG2 3.35Å; D13-V17 PolarHBondContact O-N 3.17Å; D13-V17 VanDerWaalsContact O-N 3.16Å |
| 14 | T | 53.6 | Low | 54.7 | Low | 11 Ų | 11 | 55.6 Ų | 55.6 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 178.7 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | C10 F11 D12 V17 L18 Y47 I216 | C10-T14 PolarHBondContact O-N 3.29Å; C10-T14 PolarHBondContact O-OG1 3.5Å; F11-T14 PolarHBondContact O-N 3.31Å; D12-T14 VanDerWaalsContact C-N 3.34Å; D12-T14 PolarHBondContact O-N 3.25Å; T14-V17 PolarHBondContact O-N 3Å; T14-L18 HydrophobicContact CG2-CD1 4.43Å; T14-L18 WeakPolarHBondContact O-CG 3.23Å; T14-L18 PolarHBondContact O-N 2.98Å; T14-Y47 HydrophobicContact CG2-CD1 3.74Å; T14-Y47 HydrophobicContact CG2-CE1 4.08Å; T14-Y47 WeakPolarHBondContact OG1-CE1 3.21Å; T14-I216 HydrophobicContact CG2-CG2 4.5Å |
| 15 | S | 61.6 | Low | 55.6 | Low | 10 Ų | 10 | 54.8 Ų | 54.8 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 176 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | F11 D12 V17 L18 D19 R213 | F11-S15 WeakPolarHBondContact O-CB 3.44Å; F11-S15 PolarHBondContact O-N 3.3Å; D12-S15 PolarHBondContact O-N 2.82Å; S15-V17 VanDerWaalsContact C-N 3.33Å; S15-V17 PolarHBondContact O-N 3.37Å; S15-L18 PolarHBondContact O-N 2.9Å; S15-D19 PolarHBondContact O-N 3.46Å; S15-R213 WeakPolarHBondContact OG-CG 3.5Å |
| 16 | A | 65.2 | Low | 56.3 | Low | 58 Ų | 58 | 51.9 Ų | 51.9 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D12 D13 D19 D20 | D12-A16 WeakPolarHBondContact O-CB 3.45Å; D12-A16 PolarHBondContact O-N 2.78Å; D13-A16 PolarHBondContact O-N 3.3Å; A16-D19 WeakPolarHBondContact O-CB 3.46Å; A16-D19 PolarHBondContact O-N 3.2Å; A16-D20 PolarHBondContact O-N 2.85Å; A16-D20 VanDerWaalsContact O-N 3.13Å |
| 17 | V | 55.8 | Low | 57.1 | Low | 62 Ų | 62 | 48 Ų | 48 | 38% | 0.376 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | D13 T14 S15 D19 D20 F21 T44 | D13-V17 WeakPolarHBondContact O-CG2 3.35Å; D13-V17 PolarHBondContact O-N 3.17Å; D13-V17 VanDerWaalsContact O-N 3.16Å; T14-V17 PolarHBondContact O-N 3Å; S15-V17 VanDerWaalsContact C-N 3.33Å; S15-V17 PolarHBondContact O-N 3.37Å; V17-D19 PolarHBondContact O-N 3.5Å; V17-D20 PolarHBondContact O-N 3.37Å; V17-F21 HydrophobicContact CG1-CD2 3.86Å; V17-F21 HydrophobicContact CG1-CE2 3.57Å; V17-F21 WeakPolarHBondContact O-CD2 3.37Å; V17-F21 PolarHBondContact O-N 2.81Å; V17-F21 VanDerWaalsContact O-N 3.09Å; V17-T44 HydrophobicContact CG1-CG2 3.78Å |
| 18 | L | 57.6 | Low | 56.9 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -34.7 | 174.5 | -72.1 | 169.3 | 0 | 0 | 0 | 111.7 | T14 S15 F21 V22 T44 A48 L209 L212 R213 | T14-L18 HydrophobicContact CG2-CD1 4.43Å; T14-L18 WeakPolarHBondContact O-CG 3.23Å; T14-L18 PolarHBondContact O-N 2.98Å; S15-L18 PolarHBondContact O-N 2.9Å; L18-F21 PolarHBondContact O-N 3.45Å; L18-V22 WeakPolarHBondContact O-CG2 3.35Å; L18-V22 PolarHBondContact O-N 2.79Å; L18-T44 HydrophobicContact CD2-CG2 4.06Å; L18-T44 HydrophobicContact CG-CG2 4.43Å; L18-A48 HydrophobicContact CD1-CB 4.46Å; L18-L209 HydrophobicContact CD2-CD2 3.85Å; L18-L212 HydrophobicContact CD1-CB 4.45Å; L18-R213 HydrophobicContact CB-CB 4.45Å; L18-R213 HydrophobicContact CD1-CB 4.45Å |
| 19 | D | 67.2 | Low | 56.4 | Low | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.193 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 177.8 | -68.4 | -20.3 | 0 | 0 | 0 | 113.2 | S15 A16 V17 F21 V22 S23 R213 | S15-D19 PolarHBondContact O-N 3.46Å; A16-D19 WeakPolarHBondContact O-CB 3.46Å; A16-D19 PolarHBondContact O-N 3.2Å; V17-D19 PolarHBondContact O-N 3.5Å; D19-F21 VanDerWaalsContact C-N 3.28Å; D19-F21 PolarHBondContact O-N 3.27Å; D19-V22 PolarHBondContact O-N 2.65Å; D19-S23 VanDerWaalsContact O-CB 3.31Å; D19-S23 WeakPolarHBondContact O-CB 3.45Å; D19-S23 PolarHBondContact O-N 3.28Å; D19-R213 WeakPolarHBondContact OD1-CD 3.47Å; D19-R213 WeakPolarHBondContact OD1-CG 3.37Å; D19-R213 IonicContact OD1-CZ 3.3Å; D19-R213 IonicContact OD1-NE 3.06Å; D19-R213 PolarHBondContact OD1-NE 3.39Å; D19-R213 IonicContact OD1-NH1 2.94Å; D19-R213 PolarHBondContact OD1-NH1 3.4Å; D19-R213 IonicContact OD1-NH2 3.87Å; D19-R213 IonicContact OD2-CZ 3.71Å; D19-R213 IonicContact OD2-NE 3.95Å; D19-R213 PolarHBondContact OD2-NE 2.88Å; D19-R213 IonicContact OD2-NH1 3.77Å; D19-R213 PolarHBondContact OD2-NH1 3.42Å; D19-R213 IonicContact OD2-NH2 2.75Å; D19-R213 PolarHBondContact OD2-NH2 3.15Å |
| 20 | D | 64.7 | Low | 56.4 | Low | 73 Ų | 73 | 54 Ų | 54 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 172.5 | 179.2 | 55.1 | 0 | 0 | 0 | 111 | A16 V17 S23 K24 | A16-D20 PolarHBondContact O-N 2.85Å; A16-D20 VanDerWaalsContact O-N 3.13Å; V17-D20 PolarHBondContact O-N 3.37Å; D20-S23 PolarHBondContact O-N 3Å; D20-K24 WeakPolarHBondContact O-CB 3.47Å; D20-K24 VanDerWaalsContact O-CG 3.23Å; D20-K24 WeakPolarHBondContact O-CG 3.34Å; D20-K24 PolarHBondContact O-N 3.03Å; D20-K24 WeakPolarHBondContact OD1-CE 3.33Å; D20-K24 IonicContact OD1-NZ 2.75Å; D20-K24 PolarHBondContact OD1-NZ 3.49Å; D20-K24 VanDerWaalsContact OD2-CE 3.23Å; D20-K24 WeakPolarHBondContact OD2-CE 3.27Å; D20-K24 IonicContact OD2-NZ 3.07Å; D20-K24 PolarHBondContact OD2-NZ 3.4Å |
| 21 | F | 61.4 | Low | 56.2 | Low | 12 Ų | 12 | 59.3 Ų | 59.3 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 174.7 | -80.3 | -63.7 | 0 | 0 | 0 | 113.3 | V17 L18 D19 S23 K24 L25 E40 L41 T44 L209 | V17-F21 HydrophobicContact CG1-CD2 3.86Å; V17-F21 HydrophobicContact CG1-CE2 3.57Å; V17-F21 WeakPolarHBondContact O-CD2 3.37Å; V17-F21 PolarHBondContact O-N 2.81Å; V17-F21 VanDerWaalsContact O-N 3.09Å; L18-F21 PolarHBondContact O-N 3.45Å; D19-F21 VanDerWaalsContact C-N 3.28Å; D19-F21 PolarHBondContact O-N 3.27Å; F21-S23 VanDerWaalsContact C-N 3.31Å; F21-S23 PolarHBondContact O-N 2.67Å; F21-K24 PolarHBondContact O-N 2.93Å; F21-L25 WeakPolarHBondContact O-CB 3.37Å; F21-L25 WeakPolarHBondContact O-CG 3.39Å; F21-L25 PolarHBondContact O-N 3.42Å; F21-E40 HydrophobicContact CZ-CB 4.32Å; F21-L41 HydrophobicContact CD1-CD1 4.12Å; F21-L41 HydrophobicContact CD2-CD1 4.48Å; F21-L41 HydrophobicContact CE1-CB 4.09Å; F21-L41 HydrophobicContact CE1-CD1 4.41Å; F21-L41 HydrophobicContact CG-CD1 4.17Å; F21-L41 HydrophobicContact CZ-CB 4.37Å; F21-T44 HydrophobicContact CD2-CG2 4.23Å; F21-T44 HydrophobicContact CE2-CG2 4Å; F21-T44 WeakPolarHBondContact CE2-OG1 3.24Å; F21-L209 HydrophobicContact CB-CD1 4.24Å |
| 22 | V | 60.4 | Low | 55.7 | Low | 30 Ų | 30 | 62.7 Ų | 62.7 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.7 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | L18 D19 L25 A26 L209 | L18-V22 WeakPolarHBondContact O-CG2 3.35Å; L18-V22 PolarHBondContact O-N 2.79Å; D19-V22 PolarHBondContact O-N 2.65Å; V22-L25 PolarHBondContact O-N 2.89Å; V22-A26 WeakPolarHBondContact O-CB 3.22Å; V22-A26 PolarHBondContact O-N 3.3Å; V22-A26 VanDerWaalsContact O-N 3.1Å; V22-L209 HydrophobicContact CG2-CB 3.82Å |
| 23 | S | 62.4 | Low | 55.3 | Low | 82 Ų | 82 | 61 Ų | 61 | 57% | 0.573 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.3 | -47 | 176.6 | -177 | 0 | 0 | 0 | 0 | 112.3 | D19 D20 F21 L25 A26 S27 | D19-S23 VanDerWaalsContact O-CB 3.31Å; D19-S23 WeakPolarHBondContact O-CB 3.45Å; D19-S23 PolarHBondContact O-N 3.28Å; D20-S23 PolarHBondContact O-N 3Å; F21-S23 VanDerWaalsContact C-N 3.31Å; F21-S23 PolarHBondContact O-N 2.67Å; S23-L25 VanDerWaalsContact C-N 3.34Å; S23-L25 PolarHBondContact O-N 3.29Å; S23-A26 PolarHBondContact O-N 2.9Å; S23-S27 PolarHBondContact O-N 3.43Å |
| 24 | K | 60.8 | Low | 54.3 | Low | 77 Ų | 77 | 56.4 Ų | 56.4 | 34% | 0.335 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 177.1 | -76.9 | 170 | 175 | 169.3 | 0 | 112.6 | D20 F21 F35 | D20-K24 WeakPolarHBondContact O-CB 3.47Å; D20-K24 VanDerWaalsContact O-CG 3.23Å; D20-K24 WeakPolarHBondContact O-CG 3.34Å; D20-K24 PolarHBondContact O-N 3.03Å; D20-K24 WeakPolarHBondContact OD1-CE 3.33Å; D20-K24 IonicContact OD1-NZ 2.75Å; D20-K24 PolarHBondContact OD1-NZ 3.49Å; D20-K24 VanDerWaalsContact OD2-CE 3.23Å; D20-K24 WeakPolarHBondContact OD2-CE 3.27Å; D20-K24 IonicContact OD2-NZ 3.07Å; D20-K24 PolarHBondContact OD2-NZ 3.4Å; F21-K24 PolarHBondContact O-N 2.93Å; K24-F35 HydrophobicContact CD-CD1 4.11Å; K24-F35 HydrophobicContact CD-CE1 3.97Å |
| 25 | L | 56 | Low | 54 | Low | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71 | -28.8 | 178.5 | -77 | 165.1 | 0 | 0 | 0 | 113.2 | F21 V22 S23 F35 T205 I206 L209 | F21-L25 WeakPolarHBondContact O-CB 3.37Å; F21-L25 WeakPolarHBondContact O-CG 3.39Å; F21-L25 PolarHBondContact O-N 3.42Å; V22-L25 PolarHBondContact O-N 2.89Å; S23-L25 VanDerWaalsContact C-N 3.34Å; S23-L25 PolarHBondContact O-N 3.29Å; L25-F35 WeakPolarHBondContact CD2-O 3.43Å; L25-T205 HydrophobicContact CD1-CG2 3.82Å; L25-I206 HydrophobicContact CB-CD1 4.16Å; L25-I206 HydrophobicContact CB-CG1 3.88Å; L25-I206 HydrophobicContact CD1-CG1 4.43Å; L25-L209 HydrophobicContact CD1-CD1 3.62Å |
| 26 | A | 53.7 | Low | 53.9 | Low | 69 Ų | 69 | 59.2 Ų | 59.2 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -81.1 | -14.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | V22 S23 | V22-A26 WeakPolarHBondContact O-CB 3.22Å; V22-A26 PolarHBondContact O-N 3.3Å; V22-A26 VanDerWaalsContact O-N 3.1Å; S23-A26 PolarHBondContact O-N 2.9Å |
| 27 | S | 52.3 | Low | 54.2 | Low | 51 Ų | 51 | 56.8 Ų | 56.8 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | trans | -76.9 | 131.1 | -175.6 | -179.8 | 0 | 0 | 0 | 0 | 113.2 | S23 L29 | S23-S27 PolarHBondContact O-N 3.43Å; S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 2.85Å; S27-L29 PolarHBondContact OG-N 3.25Å | ||
| 28 | P | 42 | Very low | 55.2 | Low | 129 Ų | 129 | 54 Ų | 54 | 84% | 0.838 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -72.5 | -13.1 | 176.5 | 27 | -32.2 | 0 | 0 | 0 | 114.1 | N30 | P28-N30 PolarHBondContact O-N 2.85Å; P28-N30 VanDerWaalsContact O-N 3.09Å |
| 29 | L | 35.6 | Very low | 56.4 | Low | 137 Ų | 137 | 54.5 Ų | 54.5 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | trans | -82.5 | 29.5 | -177.7 | -74.1 | 166.1 | 0 | 0 | 0 | 113.7 | S27 K31 | S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 2.85Å; S27-L29 PolarHBondContact OG-N 3.25Å; L29-K31 VanDerWaalsContact C-N 3.26Å; L29-K31 PolarHBondContact O-N 3.08Å | ||
| 30 | N | 49.5 | Very low | 56.9 | Low | 45 Ų | 45 | 55.6 Ų | 55.6 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | trans | -76.2 | 66 | -169.9 | -155 | -7.8 | 0 | 0 | 0 | 112.5 | P28 F32 | P28-N30 PolarHBondContact O-N 2.85Å; P28-N30 VanDerWaalsContact O-N 3.09Å; N30-F32 PolarHBondContact O-N 3.21Å | ||
| 31 | K | 44.8 | Very low | 57.7 | Low | 156 Ų | 156 | 52.3 Ų | 52.3 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.3 | -167.2 | -82 | -173.6 | 176.6 | -179.3 | 0 | 116.6 | L29 | L29-K31 VanDerWaalsContact C-N 3.26Å; L29-K31 PolarHBondContact O-N 3.08Å |
| 32 | F | 46.3 | Very low | 58.8 | Low | 94 Ų | 94 | 52 Ų | 52 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 4.7 | -169 | -64.1 | -71.4 | 0 | 0 | 0 | 116.1 | N30 A34 I462 | N30-F32 PolarHBondContact O-N 3.21Å; F32-A34 HydrophobicContact CB-CB 4.17Å; F32-A34 PolarHBondContact O-N 3.23Å; F32-I462 HydrophobicContact CD1-CD1 4.23Å; F32-I462 HydrophobicContact CD1-CG2 4.4Å; F32-I462 HydrophobicContact CE1-CD1 4.01Å; F32-I462 HydrophobicContact CE1-CG2 4Å |
| 33 | G | 49.6 | Very low | 59.8 | Low | 41 Ų | 41 | 54.1 Ų | 54.1 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 60.6 | -2.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | F35 | G33-F35 VanDerWaalsContact C-N 3.31Å; G33-F35 PolarHBondContact O-N 3.39Å |
| 34 | A | 40.8 | Very low | 60.6 | Low | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F32 E308 W327 | F32-A34 HydrophobicContact CB-CB 4.17Å; F32-A34 PolarHBondContact O-N 3.23Å; A34-E308 HydrophobicContact CB-CG 4.04Å; A34-W327 HydrophobicContact CB-CH2 4.21Å; A34-W327 HydrophobicContact CB-CZ2 4.27Å; A34-W327 WeakPolarHBondContact O-CH2 3.29Å |
| 35 | F | 46.1 | Very low | 61.9 | Low | 66 Ų | 66 | 48 Ų | 48 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -7.6 | -177.4 | -71.4 | -68.5 | 0 | 0 | 0 | 115 | K24 L25 G33 | K24-F35 HydrophobicContact CD-CD1 4.11Å; K24-F35 HydrophobicContact CD-CE1 3.97Å; L25-F35 WeakPolarHBondContact CD2-O 3.43Å; G33-F35 VanDerWaalsContact C-N 3.31Å; G33-F35 PolarHBondContact O-N 3.39Å |
| 36 | A | 60 | Low | 63.3 | Low | 14 Ų | 14 | 47.7 Ų | 47.7 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -75.9 | -38.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L41 Y201 | A36-L41 VanDerWaalsContact O-CD2 3.25Å; A36-L41 WeakPolarHBondContact O-CD2 3.41Å; A36-Y201 HydrophobicContact CB-CD1 4.22Å; A36-Y201 HydrophobicContact CB-CE1 3.93Å; A36-Y201 WeakPolarHBondContact O-CE1 3.5Å; A36-Y201 PolarHBondContact O-OH 3.49Å; A36-Y201 VanDerWaalsContact O-OH 3.06Å |
| 37 | D | 70.4 | Confident | 64.6 | Low | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -151.1 | 45.6 | -160.6 | -171.8 | 41.8 | 0 | 0 | 0 | 112 | H42 Y165 Y201 Y310 R340 | D37-H42 IonicContact OD1-CE1 2.97Å; D37-H42 PolarHBondContact OD1-CE1 3.42Å; D37-H42 IonicContact OD1-NE2 3.3Å; D37-H42 PolarHBondContact OD1-NE2 3.17Å; D37-Y165 VanDerWaalsContact OD2-CE2 3.29Å; D37-Y165 WeakPolarHBondContact OD2-CE2 3.45Å; D37-Y201 HydrophobicContact CB-CE1 4.03Å; D37-Y201 PolarHBondContact OD1-OH 3.32Å; D37-Y310 HydrophobicContact CB-CE2 4.1Å; D37-Y310 VanDerWaalsContact O-CE2 3.28Å; D37-Y310 WeakPolarHBondContact O-CE2 3.4Å; D37-Y310 PolarHBondContact O-OH 3.02Å; D37-Y310 WeakPolarHBondContact OD2-CE2 3.49Å; D37-R340 IonicContact OD1-CZ 3.05Å; D37-R340 IonicContact OD1-NH1 2.76Å; D37-R340 PolarHBondContact OD1-NH1 2.87Å; D37-R340 IonicContact OD1-NH2 3.68Å; D37-R340 PolarHBondContact OD1-NH2 3.43Å; D37-R340 IonicContact OD2-CZ 3.53Å; D37-R340 VanDerWaalsContact OD2-CZ 3.31Å; D37-R340 IonicContact OD2-NH1 2.79Å; D37-R340 PolarHBondContact OD2-NH1 2.94Å; D37-R340 IonicContact OD2-NH2 3.33Å; D37-R340 PolarHBondContact OD2-NH2 3.32Å |
| 38 | S | 78.2 | Confident | 66.1 | Low | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -80.3 | 156.2 | -173.6 | 75.5 | 0 | 0 | 0 | 0 | 112.7 | E40 L41 H42 | S38-E40 PolarHBondContact O-N 2.95Å; S38-L41 WeakPolarHBondContact O-CB 3.44Å; S38-L41 PolarHBondContact O-N 3.24Å; S38-L41 PolarHBondContact OG-N 3.25Å; S38-L41 VanDerWaalsContact OG-N 3.12Å; S38-H42 PolarHBondContact O-CD2 3.22Å; S38-H42 PolarHBondContact O-N 2.81Å | ||
| 39 | P | 82.8 | Confident | 68.5 | Low | 12 Ų | 12 | 39.8 Ų | 39.8 | 8% | 0.078 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.9 | -31.8 | 173.1 | -22 | 31.6 | 0 | 0 | 0 | 113 | H42 Q43 W327 C338 P397 | P39-H42 PolarHBondContact O-N 3.44Å; P39-Q43 WeakPolarHBondContact O-CB 3.42Å; P39-Q43 PolarHBondContact O-N 3.49Å; P39-W327 VanDerWaalsContact CD-CD2 3.45Å; P39-W327 VanDerWaalsContact CD-CE2 3.5Å; P39-W327 HydrophobicContact CG-CB 3.85Å; P39-W327 HydrophobicContact CG-CD2 4.05Å; P39-W327 HydrophobicContact CG-CG 3.55Å; P39-C338 VanDerWaalsContact CG-SG 3.57Å; P39-P397 HydrophobicContact CB-CB 3.87Å; P39-P397 HydrophobicContact CB-CG 4.17Å |
| 40 | E | 77.7 | Confident | 70.8 | Confident | 59 Ų | 59 | 33.5 Ų | 33.5 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.7 | -45 | 176.3 | -66.1 | 172.9 | 176.9 | 0 | 0 | 111.1 | F21 S38 H42 Q43 T44 R329 | F21-E40 HydrophobicContact CZ-CB 4.32Å; S38-E40 PolarHBondContact O-N 2.95Å; E40-H42 VanDerWaalsContact C-N 3.31Å; E40-H42 PolarHBondContact O-N 3.2Å; E40-Q43 PolarHBondContact O-N 2.77Å; E40-T44 PolarHBondContact O-N 3.08Å; E40-T44 PolarHBondContact O-OG1 2.96Å; E40-R329 IonicContact OE1-CZ 3.39Å; E40-R329 IonicContact OE1-NH1 2.93Å; E40-R329 PolarHBondContact OE1-NH1 2.98Å; E40-R329 IonicContact OE1-NH2 3.41Å; E40-R329 PolarHBondContact OE1-NH2 3.14Å |
| 41 | L | 81 | Confident | 72.4 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 174.3 | 173.6 | 65.1 | 0 | 0 | 0 | 111.2 | F21 A36 S38 Q43 T44 L45 T205 L209 | F21-L41 HydrophobicContact CD1-CD1 4.12Å; F21-L41 HydrophobicContact CD2-CD1 4.48Å; F21-L41 HydrophobicContact CE1-CB 4.09Å; F21-L41 HydrophobicContact CE1-CD1 4.41Å; F21-L41 HydrophobicContact CG-CD1 4.17Å; F21-L41 HydrophobicContact CZ-CB 4.37Å; A36-L41 VanDerWaalsContact O-CD2 3.25Å; A36-L41 WeakPolarHBondContact O-CD2 3.41Å; S38-L41 WeakPolarHBondContact O-CB 3.44Å; S38-L41 PolarHBondContact O-N 3.24Å; S38-L41 PolarHBondContact OG-N 3.25Å; S38-L41 VanDerWaalsContact OG-N 3.12Å; L41-Q43 PolarHBondContact O-N 3.02Å; L41-T44 PolarHBondContact O-N 2.86Å; L41-L45 VanDerWaalsContact O-CB 3.27Å; L41-L45 WeakPolarHBondContact O-CB 3.4Å; L41-L45 PolarHBondContact O-N 3.38Å; L41-T205 HydrophobicContact CD2-CG2 4.46Å; L41-L209 HydrophobicContact CD1-CD1 3.98Å; L41-L209 HydrophobicContact CD1-CD2 4.2Å |
| 42 | H | 85.1 | Confident | 74.3 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.1 | -35.6 | -180 | -72.9 | -59.1 | 0 | 0 | 0 | 113.6 | D37 S38 P39 E40 L45 A46 R340 F341 | D37-H42 IonicContact OD1-CE1 2.97Å; D37-H42 PolarHBondContact OD1-CE1 3.42Å; D37-H42 IonicContact OD1-NE2 3.3Å; D37-H42 PolarHBondContact OD1-NE2 3.17Å; S38-H42 PolarHBondContact O-CD2 3.22Å; S38-H42 PolarHBondContact O-N 2.81Å; P39-H42 PolarHBondContact O-N 3.44Å; E40-H42 VanDerWaalsContact C-N 3.31Å; E40-H42 PolarHBondContact O-N 3.2Å; H42-L45 PolarHBondContact O-N 3.43Å; H42-A46 WeakPolarHBondContact O-CB 3.5Å; H42-A46 PolarHBondContact O-N 3.23Å; H42-R340 PolarHBondContact CE1-NH2 3.49Å; H42-R340 VanDerWaalsContact NE2-CZ 3.25Å; H42-R340 PolarHBondContact NE2-NH1 2.9Å; H42-R340 PolarHBondContact NE2-NH2 3.04Å; H42-F341 HydrophobicContact CB-CD1 4.14Å |
| 43 | Q | 81.6 | Confident | 76.2 | Confident | 75 Ų | 75 | 20.6 Ų | 20.6 | 35% | 0.35 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 174.3 | -174.8 | 178.3 | 18 | 0 | 0 | 110.9 | P39 E40 L41 L45 A46 Y47 | P39-Q43 WeakPolarHBondContact O-CB 3.42Å; P39-Q43 PolarHBondContact O-N 3.49Å; E40-Q43 PolarHBondContact O-N 2.77Å; L41-Q43 PolarHBondContact O-N 3.02Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-L45 PolarHBondContact O-N 3.08Å; Q43-A46 PolarHBondContact O-N 2.84Å; Q43-Y47 PolarHBondContact O-N 2.88Å |
| 44 | T | 79 | Confident | 77.7 | Confident | 25 Ų | 25 | 22.4 Ų | 22.4 | 15% | 0.153 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.8 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | V17 L18 F21 E40 L41 Y47 A48 | V17-T44 HydrophobicContact CG1-CG2 3.78Å; L18-T44 HydrophobicContact CD2-CG2 4.06Å; L18-T44 HydrophobicContact CG-CG2 4.43Å; F21-T44 HydrophobicContact CD2-CG2 4.23Å; F21-T44 HydrophobicContact CE2-CG2 4Å; F21-T44 WeakPolarHBondContact CE2-OG1 3.24Å; E40-T44 PolarHBondContact O-N 3.08Å; E40-T44 PolarHBondContact O-OG1 2.96Å; L41-T44 PolarHBondContact O-N 2.86Å; T44-Y47 WeakPolarHBondContact O-CB 3.43Å; T44-Y47 PolarHBondContact O-N 3.31Å; T44-A48 WeakPolarHBondContact O-CB 3.39Å; T44-A48 PolarHBondContact O-N 3.48Å |
| 45 | L | 86.4 | Confident | 79.6 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.5 | -178.4 | 65 | 0 | 0 | 0 | 111.5 | L41 H42 Q43 Y47 A48 E49 F161 Y208 L209 L212 | L41-L45 VanDerWaalsContact O-CB 3.27Å; L41-L45 WeakPolarHBondContact O-CB 3.4Å; L41-L45 PolarHBondContact O-N 3.38Å; H42-L45 PolarHBondContact O-N 3.43Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-L45 PolarHBondContact O-N 3.08Å; L45-Y47 VanDerWaalsContact C-N 3.28Å; L45-Y47 PolarHBondContact O-N 2.87Å; L45-A48 PolarHBondContact O-N 3.35Å; L45-E49 HydrophobicContact CD1-CG 4.16Å; L45-E49 HydrophobicContact CG-CG 4.31Å; L45-E49 WeakPolarHBondContact O-CB 3.42Å; L45-E49 WeakPolarHBondContact O-CG 3.31Å; L45-E49 PolarHBondContact O-N 2.98Å; L45-F161 HydrophobicContact CD2-CE1 3.67Å; L45-F161 HydrophobicContact CD2-CZ 3.96Å; L45-Y208 HydrophobicContact CD1-CD1 4.21Å; L45-Y208 HydrophobicContact CD1-CE1 3.46Å; L45-Y208 VanDerWaalsContact CD1-CE1 3.46Å; L45-Y208 HydrophobicContact CD2-CE1 4.22Å; L45-Y208 HydrophobicContact CG-CE1 4.43Å; L45-L209 HydrophobicContact CD1-CD2 4.48Å; L45-L212 HydrophobicContact CD1-CD1 3.41Å; L45-L212 VanDerWaalsContact CD1-CD1 3.41Å |
| 46 | A | 86.2 | Confident | 81.5 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 2% | 0.017 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.9 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H42 Q43 L50 F341 L344 A395 | H42-A46 WeakPolarHBondContact O-CB 3.5Å; H42-A46 PolarHBondContact O-N 3.23Å; Q43-A46 PolarHBondContact O-N 2.84Å; A46-L50 WeakPolarHBondContact O-CB 3.35Å; A46-L50 VanDerWaalsContact O-CG 3.27Å; A46-L50 WeakPolarHBondContact O-CG 3.45Å; A46-L50 PolarHBondContact O-N 3.29Å; A46-F341 HydrophobicContact CB-CE1 4.23Å; A46-L344 HydrophobicContact CB-CD1 4.07Å; A46-L344 HydrophobicContact CB-CG 4.36Å; A46-A395 HydrophobicContact CB-CB 3.38Å |
| 47 | Y | 81.9 | Confident | 82.7 | Confident | 76 Ų | 76 | 19.5 Ų | 19.5 | 30% | 0.298 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -62.9 | -46 | 175.2 | -170.7 | -85 | 0 | 0 | 0 | 112.4 | C10 T14 Q43 T44 L45 T51 L392 | C10-Y47 PolarHBondContact SG-OH 2.94Å; T14-Y47 HydrophobicContact CG2-CD1 3.74Å; T14-Y47 HydrophobicContact CG2-CE1 4.08Å; T14-Y47 WeakPolarHBondContact OG1-CE1 3.21Å; Q43-Y47 PolarHBondContact O-N 2.88Å; T44-Y47 WeakPolarHBondContact O-CB 3.43Å; T44-Y47 PolarHBondContact O-N 3.31Å; L45-Y47 VanDerWaalsContact C-N 3.28Å; L45-Y47 PolarHBondContact O-N 2.87Å; Y47-T51 WeakPolarHBondContact O-CB 3.3Å; Y47-T51 PolarHBondContact O-N 3.47Å; Y47-T51 PolarHBondContact O-OG1 2.99Å; Y47-L392 HydrophobicContact CD2-CD2 3.87Å; Y47-L392 HydrophobicContact CG-CD2 4.48Å |
| 48 | A | 84 | Confident | 83.1 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L18 T44 L45 L50 T51 I52 I216 | L18-A48 HydrophobicContact CD1-CB 4.46Å; T44-A48 WeakPolarHBondContact O-CB 3.39Å; T44-A48 PolarHBondContact O-N 3.48Å; L45-A48 PolarHBondContact O-N 3.35Å; A48-L50 PolarHBondContact O-N 3.22Å; A48-T51 WeakPolarHBondContact O-CB 3.48Å; A48-T51 PolarHBondContact O-N 3.45Å; A48-I52 PolarHBondContact O-N 2.98Å; A48-I216 HydrophobicContact CB-CD1 3.51Å; A48-I216 WeakPolarHBondContact O-CD1 3.41Å |
| 49 | E | 90.7 | Very high | 83.4 | Confident | 7 Ų | 7 | 24.1 Ų | 24.1 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 179.2 | -71.3 | -176.1 | 160 | 0 | 0 | 112 | L45 T51 I52 C53 R158 Y208 L349 | L45-E49 HydrophobicContact CD1-CG 4.16Å; L45-E49 HydrophobicContact CG-CG 4.31Å; L45-E49 WeakPolarHBondContact O-CB 3.42Å; L45-E49 WeakPolarHBondContact O-CG 3.31Å; L45-E49 PolarHBondContact O-N 2.98Å; E49-T51 VanDerWaalsContact C-N 3.29Å; E49-T51 PolarHBondContact O-N 3.46Å; E49-I52 WeakPolarHBondContact O-CB 3.31Å; E49-I52 PolarHBondContact O-N 2.73Å; E49-I52 VanDerWaalsContact O-N 3.14Å; E49-C53 PolarHBondContact O-N 2.94Å; E49-C53 PolarHBondContact O-SG 2.92Å; E49-C53 VanDerWaalsContact O-SG 3.34Å; E49-R158 IonicContact OE1-CZ 3.31Å; E49-R158 IonicContact OE1-NE 2.74Å; E49-R158 PolarHBondContact OE1-NE 3.26Å; E49-R158 IonicContact OE1-NH2 3.9Å; E49-R158 PolarHBondContact OE1-NH2 2.89Å; E49-R158 IonicContact OE2-CZ 2.89Å; E49-R158 IonicContact OE2-NE 3.44Å; E49-R158 IonicContact OE2-NH2 3.67Å; E49-R158 PolarHBondContact OE2-NH2 3.31Å; E49-Y208 PolarHBondContact OE1-OH 2.86Å; E49-L349 HydrophobicContact CB-CD1 4.48Å; E49-L349 HydrophobicContact CB-CD2 3.78Å |
| 50 | L | 85.1 | Confident | 83.5 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.2 | -30.3 | 176.1 | -69.8 | 173.9 | 0 | 0 | 0 | 112.8 | A46 A48 I52 C53 R54 L344 L349 A352 L391 L392 | A46-L50 WeakPolarHBondContact O-CB 3.35Å; A46-L50 VanDerWaalsContact O-CG 3.27Å; A46-L50 WeakPolarHBondContact O-CG 3.45Å; A46-L50 PolarHBondContact O-N 3.29Å; A48-L50 PolarHBondContact O-N 3.22Å; L50-I52 VanDerWaalsContact C-N 3.32Å; L50-C53 WeakPolarHBondContact O-CB 3.48Å; L50-C53 PolarHBondContact O-N 3.1Å; L50-R54 PolarHBondContact O-N 3.12Å; L50-R54 VanDerWaalsContact O-N 3.08Å; L50-L344 HydrophobicContact CD1-CD1 4.14Å; L50-L344 HydrophobicContact CD2-CD1 3.95Å; L50-L344 HydrophobicContact CG-CD1 3.74Å; L50-L349 HydrophobicContact CD2-CD2 4.46Å; L50-A352 HydrophobicContact CD2-CB 3.72Å; L50-L391 HydrophobicContact CD1-CB 4Å; L50-L391 HydrophobicContact CD2-CB 4.43Å; L50-L391 HydrophobicContact CD2-CD1 3.91Å; L50-L392 HydrophobicContact CD1-CD1 4.49Å; L50-L392 HydrophobicContact CD1-CD2 3.68Å; L50-L392 HydrophobicContact CD1-CG 3.59Å |
| 51 | T | 81.9 | Confident | 83.7 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 6% | 0.061 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 171.3 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | F11 Y47 A48 E49 R54 I55 I216 | F11-T51 HydrophobicContact CD1-CG2 3.72Å; F11-T51 HydrophobicContact CE1-CG2 3.27Å; F11-T51 HydrophobicContact CZ-CG2 4.35Å; Y47-T51 WeakPolarHBondContact O-CB 3.3Å; Y47-T51 PolarHBondContact O-N 3.47Å; Y47-T51 PolarHBondContact O-OG1 2.99Å; A48-T51 WeakPolarHBondContact O-CB 3.48Å; A48-T51 PolarHBondContact O-N 3.45Å; E49-T51 VanDerWaalsContact C-N 3.29Å; E49-T51 PolarHBondContact O-N 3.46Å; T51-R54 WeakPolarHBondContact O-CB 3.5Å; T51-R54 PolarHBondContact O-N 3.42Å; T51-I55 HydrophobicContact CG2-CD1 4.45Å; T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 3.04Å; T51-I216 HydrophobicContact CG2-CG2 4.08Å |
| 52 | I | 85.2 | Confident | 83.7 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.051 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 172.6 | -71.8 | 153.9 | 0 | 0 | 0 | 112 | A48 E49 L50 R54 I55 R56 L151 L154 L212 V215 I216 | A48-I52 PolarHBondContact O-N 2.98Å; E49-I52 WeakPolarHBondContact O-CB 3.31Å; E49-I52 PolarHBondContact O-N 2.73Å; E49-I52 VanDerWaalsContact O-N 3.14Å; L50-I52 VanDerWaalsContact C-N 3.32Å; I52-R54 VanDerWaalsContact C-N 3.26Å; I52-R54 PolarHBondContact O-N 3.27Å; I52-I55 PolarHBondContact O-N 3.49Å; I52-R56 WeakPolarHBondContact O-CB 3.41Å; I52-R56 PolarHBondContact O-N 3.34Å; I52-L151 HydrophobicContact CG2-CD2 4.2Å; I52-L154 HydrophobicContact CD1-CD1 3.65Å; I52-L154 HydrophobicContact CG1-CD1 4.27Å; I52-L154 HydrophobicContact CG2-CD1 4.22Å; I52-L212 HydrophobicContact CD1-CD2 3.14Å; I52-V215 HydrophobicContact CG1-CG1 4.13Å; I52-I216 HydrophobicContact CD1-CD1 3.9Å; I52-I216 HydrophobicContact CD1-CG1 4.05Å; I52-I216 HydrophobicContact CG1-CD1 4.07Å; I52-I216 HydrophobicContact CG1-CG1 3.83Å |
| 53 | C | 86 | Confident | 83.6 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.02 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.2 | -42.8 | 172.8 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | E49 L50 R56 A57 L349 A352 T353 | E49-C53 PolarHBondContact O-N 2.94Å; E49-C53 PolarHBondContact O-SG 2.92Å; E49-C53 VanDerWaalsContact O-SG 3.34Å; L50-C53 WeakPolarHBondContact O-CB 3.48Å; L50-C53 PolarHBondContact O-N 3.1Å; C53-R56 PolarHBondContact O-N 2.81Å; C53-A57 WeakPolarHBondContact O-CB 3.38Å; C53-A57 PolarHBondContact O-N 3.36Å; C53-L349 PolarHBondContact SG-O 3.27Å; C53-A352 HydrophobicContact CB-CB 4.22Å; C53-T353 WeakPolarHBondContact CB-OG1 3.27Å |
| 54 | R | 81.7 | Confident | 83.7 | Confident | 79 Ų | 79 | 29 Ų | 29 | 30% | 0.298 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 174.6 | -69.3 | 177.3 | 177 | -176.8 | -0.9 | 111.5 | L50 T51 I52 R56 A57 Y58 V356 E384 L388 | L50-R54 PolarHBondContact O-N 3.12Å; L50-R54 VanDerWaalsContact O-N 3.08Å; T51-R54 WeakPolarHBondContact O-CB 3.5Å; T51-R54 PolarHBondContact O-N 3.42Å; I52-R54 VanDerWaalsContact C-N 3.26Å; I52-R54 PolarHBondContact O-N 3.27Å; R54-R56 PolarHBondContact O-N 2.97Å; R54-A57 PolarHBondContact O-N 3.31Å; R54-Y58 WeakPolarHBondContact O-CD2 3.5Å; R54-Y58 PolarHBondContact O-N 3.02Å; R54-V356 HydrophobicContact CG-CG1 4.44Å; R54-V356 HydrophobicContact CG-CG2 4.16Å; R54-E384 IonicContact CZ-OE1 2.8Å; R54-E384 IonicContact NH1-OE1 2.66Å; R54-E384 IonicContact NH2-OE1 3.93Å; R54-E384 PolarHBondContact NH2-OE1 2.74Å; R54-L388 HydrophobicContact CG-CD2 3.98Å |
| 55 | I | 80.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 178.5 | -67.6 | 170.2 | 0 | 0 | 0 | 111.1 | F11 T51 I52 A57 Y58 Y59 L151 Y220 | F11-I55 HydrophobicContact CE1-CD1 3.99Å; F11-I55 HydrophobicContact CE1-CG1 4.31Å; F11-I55 HydrophobicContact CZ-CG1 4.49Å; T51-I55 HydrophobicContact CG2-CD1 4.45Å; T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 3.04Å; I52-I55 PolarHBondContact O-N 3.49Å; I55-A57 PolarHBondContact O-N 3.39Å; I55-Y58 WeakPolarHBondContact O-CB 3.48Å; I55-Y58 PolarHBondContact O-N 2.92Å; I55-Y59 HydrophobicContact CG2-CD2 4.35Å; I55-Y59 HydrophobicContact CG2-CE1 4.27Å; I55-Y59 HydrophobicContact CG2-CE2 3.99Å; I55-Y59 PolarHBondContact O-N 3.33Å; I55-L151 HydrophobicContact CG2-CD1 4.24Å; I55-Y220 HydrophobicContact CB-CD2 4.24Å; I55-Y220 HydrophobicContact CB-CE2 4.12Å; I55-Y220 HydrophobicContact CD1-CD1 4.4Å; I55-Y220 HydrophobicContact CD1-CD2 3.84Å; I55-Y220 HydrophobicContact CD1-CE2 4.3Å; I55-Y220 HydrophobicContact CD1-CG 3.9Å; I55-Y220 HydrophobicContact CG1-CD2 3.74Å; I55-Y220 HydrophobicContact CG1-CE2 3.69Å; I55-Y220 HydrophobicContact CG1-CG 4.19Å; I55-Y220 HydrophobicContact CG2-CD2 3.54Å; I55-Y220 HydrophobicContact CG2-CE2 3.67Å |
| 56 | R | 87.1 | Confident | 83.5 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 179.2 | -179 | 171.3 | -86.7 | 138.1 | -8.4 | 111.6 | I52 C53 R54 Y58 Y59 N60 L151 N152 Y155 T353 | I52-R56 WeakPolarHBondContact O-CB 3.41Å; I52-R56 PolarHBondContact O-N 3.34Å; C53-R56 PolarHBondContact O-N 2.81Å; R54-R56 PolarHBondContact O-N 2.97Å; R56-Y58 VanDerWaalsContact C-N 3.31Å; R56-Y58 PolarHBondContact O-N 3.18Å; R56-Y59 PolarHBondContact O-N 3.4Å; R56-N60 WeakPolarHBondContact O-CB 3.42Å; R56-N60 VanDerWaalsContact O-CG 3.26Å; R56-N60 PolarHBondContact O-N 2.91Å; R56-N60 PolarHBondContact O-OD1 2.95Å; R56-L151 HydrophobicContact CB-CD1 4.32Å; R56-L151 PolarHBondContact NH2-O 2.96Å; R56-L151 VanDerWaalsContact NH2-O 3.17Å; R56-N152 PolarHBondContact NH2-OD1 3.47Å; R56-Y155 VanDerWaalsContact CZ-OH 3.28Å; R56-Y155 VanDerWaalsContact NH1-CZ 3.32Å; R56-Y155 PolarHBondContact NH1-OH 3.3Å; R56-T353 HydrophobicContact CB-CG2 4.3Å; R56-T353 HydrophobicContact CG-CG2 4.08Å |
| 57 | A | 83.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C53 R54 I55 L61 T353 V356 S357 L360 | C53-A57 WeakPolarHBondContact O-CB 3.38Å; C53-A57 PolarHBondContact O-N 3.36Å; R54-A57 PolarHBondContact O-N 3.31Å; I55-A57 PolarHBondContact O-N 3.39Å; A57-L61 WeakPolarHBondContact O-CB 3.33Å; A57-L61 PolarHBondContact O-N 2.95Å; A57-T353 HydrophobicContact CB-CG2 4.2Å; A57-V356 HydrophobicContact CB-CB 3.8Å; A57-V356 HydrophobicContact CB-CG1 3.58Å; A57-S357 WeakPolarHBondContact CA-OG 3.45Å; A57-S357 WeakPolarHBondContact CB-OG 3.44Å; A57-L360 HydrophobicContact CB-CD1 4.27Å |
| 58 | Y | 80.5 | Confident | 83.6 | Confident | 93 Ų | 93 | 36.3 Ų | 36.3 | 37% | 0.365 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 173.6 | -81.7 | -68 | 0 | 0 | 0 | 112.4 | R54 I55 R56 L61 I62 L360 | R54-Y58 WeakPolarHBondContact O-CD2 3.5Å; R54-Y58 PolarHBondContact O-N 3.02Å; I55-Y58 WeakPolarHBondContact O-CB 3.48Å; I55-Y58 PolarHBondContact O-N 2.92Å; R56-Y58 VanDerWaalsContact C-N 3.31Å; R56-Y58 PolarHBondContact O-N 3.18Å; Y58-L61 PolarHBondContact O-N 2.7Å; Y58-I62 VanDerWaalsContact O-CG1 3.27Å; Y58-I62 WeakPolarHBondContact O-CG1 3.47Å; Y58-I62 PolarHBondContact O-N 3.38Å; Y58-L360 HydrophobicContact CD1-CD1 3.68Å; Y58-L360 HydrophobicContact CD1-CD2 4.26Å; Y58-L360 HydrophobicContact CD2-CD1 4.36Å; Y58-L360 HydrophobicContact CE1-CD1 3.74Å; Y58-L360 HydrophobicContact CE1-CD2 3.49Å; Y58-L360 VanDerWaalsContact CE1-CD2 3.49Å; Y58-L360 HydrophobicContact CE1-CG 4.28Å; Y58-L360 HydrophobicContact CE2-CD1 4.4Å; Y58-L360 HydrophobicContact CG-CD1 3.99Å |
| 59 | Y | 83.7 | Confident | 83.5 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 179.3 | -73.6 | -0.2 | 0 | 0 | 0 | 112.1 | I55 R56 L61 I62 Q63 L144 N147 L151 Y220 | I55-Y59 HydrophobicContact CG2-CD2 4.35Å; I55-Y59 HydrophobicContact CG2-CE1 4.27Å; I55-Y59 HydrophobicContact CG2-CE2 3.99Å; I55-Y59 PolarHBondContact O-N 3.33Å; R56-Y59 PolarHBondContact O-N 3.4Å; Y59-L61 VanDerWaalsContact C-N 3.32Å; Y59-L61 PolarHBondContact O-N 3.38Å; Y59-I62 PolarHBondContact O-N 2.85Å; Y59-Q63 WeakPolarHBondContact O-CB 3.34Å; Y59-Q63 PolarHBondContact O-N 3.5Å; Y59-L144 HydrophobicContact CD1-CD2 3.81Å; Y59-L144 HydrophobicContact CE1-CD2 4.19Å; Y59-L144 HydrophobicContact CG-CD2 4.01Å; Y59-N147 HydrophobicContact CE2-CB 3.81Å; Y59-L151 HydrophobicContact CD2-CD1 3.73Å; Y59-L151 HydrophobicContact CE2-CD1 3.94Å; Y59-Y220 HydrophobicContact CE1-CD2 4.26Å; Y59-Y220 HydrophobicContact CE1-CE2 4.01Å |
| 60 | N | 84.2 | Confident | 83.3 | Confident | 58 Ų | 58 | 39.3 Ų | 39.3 | 31% | 0.31 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59 | -44.8 | 177.3 | -70 | -6.6 | 0 | 0 | 0 | 111.2 | R56 Q63 E64 | R56-N60 WeakPolarHBondContact O-CB 3.42Å; R56-N60 VanDerWaalsContact O-CG 3.26Å; R56-N60 PolarHBondContact O-N 2.91Å; R56-N60 PolarHBondContact O-OD1 2.95Å; N60-Q63 PolarHBondContact O-N 2.94Å; N60-E64 WeakPolarHBondContact O-CB 3.29Å; N60-E64 PolarHBondContact O-N 3.13Å |
| 61 | L | 82.7 | Confident | 83.3 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 178.1 | 178.8 | 62.8 | 0 | 0 | 0 | 112.5 | A57 Y58 Y59 Q63 E64 I65 L360 N361 V364 | A57-L61 WeakPolarHBondContact O-CB 3.33Å; A57-L61 PolarHBondContact O-N 2.95Å; Y58-L61 PolarHBondContact O-N 2.7Å; Y59-L61 VanDerWaalsContact C-N 3.32Å; Y59-L61 PolarHBondContact O-N 3.38Å; L61-Q63 VanDerWaalsContact C-N 3.31Å; L61-Q63 PolarHBondContact O-N 3.11Å; L61-E64 PolarHBondContact O-N 3.28Å; L61-I65 HydrophobicContact CD1-CD1 3.8Å; L61-I65 HydrophobicContact CD1-CG1 4.17Å; L61-I65 HydrophobicContact CG-CD1 3.84Å; L61-I65 WeakPolarHBondContact O-CB 3.34Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 3.42Å; L61-L360 HydrophobicContact CD2-CB 3.56Å; L61-L360 HydrophobicContact CD2-CD1 4.3Å; L61-L360 HydrophobicContact CD2-CG 4.49Å; L61-N361 WeakPolarHBondContact CD1-OD1 3.46Å; L61-V364 HydrophobicContact CD2-CG2 4.1Å |
| 62 | I | 80 | Confident | 83.4 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 178.7 | -62.4 | 164.4 | 0 | 0 | 0 | 109.7 | Y58 Y59 I65 C66 I140 L144 | Y58-I62 VanDerWaalsContact O-CG1 3.27Å; Y58-I62 WeakPolarHBondContact O-CG1 3.47Å; Y58-I62 PolarHBondContact O-N 3.38Å; Y59-I62 PolarHBondContact O-N 2.85Å; I62-I65 PolarHBondContact O-N 2.86Å; I62-C66 WeakPolarHBondContact O-CB 3.49Å; I62-C66 PolarHBondContact O-N 3.48Å; I62-C66 PolarHBondContact O-SG 3.34Å; I62-I140 HydrophobicContact CG2-CG2 4.43Å; I62-L144 HydrophobicContact CB-CD1 3.89Å; I62-L144 HydrophobicContact CG2-CD1 3.53Å |
| 63 | Q | 83.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 177.3 | -176.8 | 172.6 | -1.7 | 0 | 0 | 111.5 | Y59 N60 L61 C66 Q67 E141 L144 | Y59-Q63 WeakPolarHBondContact O-CB 3.34Å; Y59-Q63 PolarHBondContact O-N 3.5Å; N60-Q63 PolarHBondContact O-N 2.94Å; L61-Q63 VanDerWaalsContact C-N 3.31Å; L61-Q63 PolarHBondContact O-N 3.11Å; Q63-C66 PolarHBondContact O-N 3.18Å; Q63-Q67 WeakPolarHBondContact O-CB 3.37Å; Q63-Q67 WeakPolarHBondContact O-CG 3.34Å; Q63-Q67 PolarHBondContact O-N 3.29Å; Q63-E141 HydrophobicContact CG-CG 4.31Å; Q63-E141 PolarHBondContact NE2-OE1 3.41Å; Q63-L144 HydrophobicContact CB-CD1 4.46Å |
| 64 | E | 82.8 | Confident | 83.7 | Confident | 91 Ų | 91 | 52.3 Ų | 52.3 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 176.9 | -175.6 | -179.3 | -178.5 | 0 | 0 | 111.4 | N60 L61 C66 Q67 Q68 | N60-E64 WeakPolarHBondContact O-CB 3.29Å; N60-E64 PolarHBondContact O-N 3.13Å; L61-E64 PolarHBondContact O-N 3.28Å; E64-C66 VanDerWaalsContact C-N 3.32Å; E64-C66 PolarHBondContact O-N 3.38Å; E64-Q67 PolarHBondContact O-N 2.88Å; E64-Q68 WeakPolarHBondContact O-CG 3.46Å; E64-Q68 PolarHBondContact O-N 2.99Å |
| 65 | I | 80.1 | Confident | 84 | Confident | 70 Ų | 70 | 51 Ų | 51 | 36% | 0.359 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 178 | -67.8 | 170.3 | 0 | 0 | 0 | 111.2 | L61 I62 S69 V364 | L61-I65 HydrophobicContact CD1-CD1 3.8Å; L61-I65 HydrophobicContact CD1-CG1 4.17Å; L61-I65 HydrophobicContact CG-CD1 3.84Å; L61-I65 WeakPolarHBondContact O-CB 3.34Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 3.42Å; I62-I65 PolarHBondContact O-N 2.86Å; I65-S69 VanDerWaalsContact O-CB 3.31Å; I65-S69 WeakPolarHBondContact O-CB 3.42Å; I65-S69 PolarHBondContact O-N 3.43Å; I65-S69 PolarHBondContact O-OG 3.26Å; I65-V364 HydrophobicContact CD1-CG1 4.26Å; I65-V364 HydrophobicContact CD1-CG2 4.44Å |
| 66 | C | 82.9 | Confident | 84.5 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 8% | 0.081 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 177.2 | -70.6 | 0 | 0 | 0 | 0 | 111.1 | I62 Q63 E64 Q68 S69 V70 I137 | I62-C66 WeakPolarHBondContact O-CB 3.49Å; I62-C66 PolarHBondContact O-N 3.48Å; I62-C66 PolarHBondContact O-SG 3.34Å; Q63-C66 PolarHBondContact O-N 3.18Å; E64-C66 VanDerWaalsContact C-N 3.32Å; E64-C66 PolarHBondContact O-N 3.38Å; C66-Q68 PolarHBondContact O-N 2.86Å; C66-S69 WeakPolarHBondContact O-CB 3.43Å; C66-S69 PolarHBondContact O-N 3.16Å; C66-S69 VanDerWaalsContact O-N 3.12Å; C66-V70 WeakPolarHBondContact O-CG2 3.49Å; C66-V70 PolarHBondContact O-N 3.5Å; C66-I137 HydrophobicContact CB-CG2 4.26Å |
| 67 | Q | 85.2 | Confident | 84.7 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 177.1 | -73.8 | 175.2 | -9.2 | 0 | 0 | 111.6 | Q63 E64 S69 V70 I71 E141 | Q63-Q67 WeakPolarHBondContact O-CB 3.37Å; Q63-Q67 WeakPolarHBondContact O-CG 3.34Å; Q63-Q67 PolarHBondContact O-N 3.29Å; E64-Q67 PolarHBondContact O-N 2.88Å; Q67-S69 VanDerWaalsContact C-N 3.3Å; Q67-S69 PolarHBondContact O-N 3.36Å; Q67-V70 PolarHBondContact O-N 3.15Å; Q67-I71 VanDerWaalsContact O-CG1 3.31Å; Q67-I71 WeakPolarHBondContact O-CG1 3.43Å; Q67-I71 PolarHBondContact O-N 2.89Å; Q67-E141 PolarHBondContact NE2-OE1 3.28Å |
| 68 | Q | 83.6 | Confident | 85.2 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 175.2 | -69.3 | -59.2 | -29 | 0 | 0 | 112.1 | E64 C66 T72 | E64-Q68 WeakPolarHBondContact O-CG 3.46Å; E64-Q68 PolarHBondContact O-N 2.99Å; C66-Q68 PolarHBondContact O-N 2.86Å; Q68-T72 WeakPolarHBondContact O-CB 3.47Å; Q68-T72 PolarHBondContact O-N 3.03Å; Q68-T72 PolarHBondContact O-OG1 3.21Å |
| 69 | S | 82.4 | Confident | 85.7 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | I65 C66 Q67 G73 | I65-S69 VanDerWaalsContact O-CB 3.31Å; I65-S69 WeakPolarHBondContact O-CB 3.42Å; I65-S69 PolarHBondContact O-N 3.43Å; I65-S69 PolarHBondContact O-OG 3.26Å; C66-S69 WeakPolarHBondContact O-CB 3.43Å; C66-S69 PolarHBondContact O-N 3.16Å; C66-S69 VanDerWaalsContact O-N 3.12Å; Q67-S69 VanDerWaalsContact C-N 3.3Å; Q67-S69 PolarHBondContact O-N 3.36Å; S69-G73 PolarHBondContact O-N 3.22Å |
| 70 | V | 86.7 | Confident | 86 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -53.3 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | C66 Q67 T72 G73 E74 I137 | C66-V70 WeakPolarHBondContact O-CG2 3.49Å; C66-V70 PolarHBondContact O-N 3.5Å; Q67-V70 PolarHBondContact O-N 3.15Å; V70-T72 VanDerWaalsContact C-N 3.32Å; V70-T72 PolarHBondContact O-N 3.46Å; V70-G73 PolarHBondContact O-N 2.87Å; V70-E74 HydrophobicContact CG1-CG 4.44Å; V70-E74 WeakPolarHBondContact O-CG 3.36Å; V70-E74 PolarHBondContact O-N 3.45Å; V70-I137 HydrophobicContact CG2-CB 4.12Å; V70-I137 HydrophobicContact CG2-CG2 3.87Å |
| 71 | I | 85.3 | Confident | 86.5 | Confident | 97 Ų | 97 | 57 Ų | 57 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.9 | -46.1 | -179.8 | -66.2 | 165.9 | 0 | 0 | 0 | 110.7 | Q67 E74 A75 | Q67-I71 VanDerWaalsContact O-CG1 3.31Å; Q67-I71 WeakPolarHBondContact O-CG1 3.43Å; Q67-I71 PolarHBondContact O-N 2.89Å; I71-E74 PolarHBondContact O-N 3.33Å; I71-A75 WeakPolarHBondContact O-CB 3.34Å; I71-A75 PolarHBondContact O-N 3.21Å |
| 72 | T | 83 | Confident | 86.9 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 179 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | Q68 V70 A75 F76 | Q68-T72 WeakPolarHBondContact O-CB 3.47Å; Q68-T72 PolarHBondContact O-N 3.03Å; Q68-T72 PolarHBondContact O-OG1 3.21Å; V70-T72 VanDerWaalsContact C-N 3.32Å; V70-T72 PolarHBondContact O-N 3.46Å; T72-A75 PolarHBondContact O-N 3Å; T72-F76 WeakPolarHBondContact O-CB 3.41Å; T72-F76 PolarHBondContact O-N 3.02Å |
| 73 | G | 87.5 | Confident | 87.3 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S69 V70 F76 S77 | S69-G73 PolarHBondContact O-N 3.22Å; V70-G73 PolarHBondContact O-N 2.87Å; G73-F76 PolarHBondContact O-N 3.11Å; G73-S77 WeakPolarHBondContact O-CB 3.43Å; G73-S77 PolarHBondContact O-N 3.27Å |
| 74 | E | 90.4 | Very high | 87.5 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 175.4 | -73.1 | -175.9 | 168.8 | 0 | 0 | 112.2 | V70 I71 F76 S77 S78 A134 | V70-E74 HydrophobicContact CG1-CG 4.44Å; V70-E74 WeakPolarHBondContact O-CG 3.36Å; V70-E74 PolarHBondContact O-N 3.45Å; I71-E74 PolarHBondContact O-N 3.33Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-F76 PolarHBondContact O-N 3.37Å; E74-S77 PolarHBondContact O-N 3.12Å; E74-S78 WeakPolarHBondContact O-CB 3.3Å; E74-S78 PolarHBondContact O-N 3.37Å; E74-A134 HydrophobicContact CG-CB 4.23Å |
| 75 | A | 88.3 | Confident | 87.7 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I71 T72 S78 S79 | I71-A75 WeakPolarHBondContact O-CB 3.34Å; I71-A75 PolarHBondContact O-N 3.21Å; T72-A75 PolarHBondContact O-N 3Å; A75-S78 PolarHBondContact O-N 3.38Å; A75-S79 WeakPolarHBondContact O-CB 3.48Å; A75-S79 PolarHBondContact O-N 3.5Å; A75-S79 PolarHBondContact O-OG 3.4Å |
| 76 | F | 91.7 | Very high | 87.8 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 175.9 | -176.5 | -123.4 | 0 | 0 | 0 | 111.5 | T72 G73 E74 S78 S79 L80 F126 T130 | T72-F76 WeakPolarHBondContact O-CB 3.41Å; T72-F76 PolarHBondContact O-N 3.02Å; G73-F76 PolarHBondContact O-N 3.11Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-F76 PolarHBondContact O-N 3.37Å; F76-S78 PolarHBondContact O-N 3.26Å; F76-S79 WeakPolarHBondContact O-CB 3.32Å; F76-S79 PolarHBondContact O-N 3.38Å; F76-S79 VanDerWaalsContact O-N 3.15Å; F76-L80 HydrophobicContact CD1-CD1 3.96Å; F76-L80 HydrophobicContact CE1-CD1 3.57Å; F76-L80 HydrophobicContact CE1-CG 4.26Å; F76-L80 HydrophobicContact CE2-CD1 4.38Å; F76-L80 HydrophobicContact CE2-CD2 4.3Å; F76-L80 HydrophobicContact CE2-CG 4.19Å; F76-L80 HydrophobicContact CG-CD1 4.5Å; F76-L80 HydrophobicContact CZ-CD1 3.81Å; F76-L80 HydrophobicContact CZ-CD2 4.09Å; F76-L80 HydrophobicContact CZ-CG 4.04Å; F76-L80 WeakPolarHBondContact O-CG 3.3Å; F76-L80 PolarHBondContact O-N 2.92Å; F76-F126 HydrophobicContact CE1-CE1 4.07Å; F76-F126 HydrophobicContact CE1-CZ 4.24Å; F76-F126 HydrophobicContact CZ-CE1 4.21Å; F76-T130 HydrophobicContact CD1-CG2 3.74Å; F76-T130 HydrophobicContact CE1-CG2 4.44Å |
| 77 | S | 91.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.014 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 174.3 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | G73 E74 S79 L80 F81 A127 R131 | G73-S77 WeakPolarHBondContact O-CB 3.43Å; G73-S77 PolarHBondContact O-N 3.27Å; E74-S77 PolarHBondContact O-N 3.12Å; S77-S79 VanDerWaalsContact C-N 3.28Å; S77-S79 PolarHBondContact O-N 2.92Å; S77-L80 WeakPolarHBondContact O-CB 3.46Å; S77-L80 PolarHBondContact O-N 3.18Å; S77-L80 VanDerWaalsContact O-N 3.16Å; S77-F81 VanDerWaalsContact O-CD2 3.31Å; S77-F81 WeakPolarHBondContact O-CD2 3.22Å; S77-F81 PolarHBondContact O-N 3.42Å; S77-A127 PolarHBondContact OG-O 3.23Å; S77-R131 WeakPolarHBondContact OG-CB 3.43Å |
| 78 | S | 92.4 | Very high | 87.2 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.9 | -175 | 0 | 0 | 0 | 0 | 111.9 | E74 A75 F76 F81 K82 | E74-S78 WeakPolarHBondContact O-CB 3.3Å; E74-S78 PolarHBondContact O-N 3.37Å; A75-S78 PolarHBondContact O-N 3.38Å; F76-S78 PolarHBondContact O-N 3.26Å; S78-F81 PolarHBondContact O-N 3.12Å; S78-K82 WeakPolarHBondContact O-CG 3.43Å; S78-K82 PolarHBondContact O-N 3.01Å; S78-K82 VanDerWaalsContact O-N 3.08Å |
| 79 | S | 91.6 | Very high | 86.6 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 176.7 | -58 | 0 | 0 | 0 | 0 | 112.1 | A75 F76 S77 K82 L83 | A75-S79 WeakPolarHBondContact O-CB 3.48Å; A75-S79 PolarHBondContact O-N 3.5Å; A75-S79 PolarHBondContact O-OG 3.4Å; F76-S79 WeakPolarHBondContact O-CB 3.32Å; F76-S79 PolarHBondContact O-N 3.38Å; F76-S79 VanDerWaalsContact O-N 3.15Å; S77-S79 VanDerWaalsContact C-N 3.28Å; S77-S79 PolarHBondContact O-N 2.92Å; S79-K82 PolarHBondContact O-N 3.35Å; S79-L83 WeakPolarHBondContact O-CB 3.31Å; S79-L83 PolarHBondContact O-N 2.95Å |
| 80 | L | 91.1 | Very high | 85.7 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 174.1 | -71.9 | 171.8 | 0 | 0 | 0 | 112.4 | F76 S77 K82 L83 A84 T123 F126 A127 | F76-L80 HydrophobicContact CD1-CD1 3.96Å; F76-L80 HydrophobicContact CE1-CD1 3.57Å; F76-L80 HydrophobicContact CE1-CG 4.26Å; F76-L80 HydrophobicContact CE2-CD1 4.38Å; F76-L80 HydrophobicContact CE2-CD2 4.3Å; F76-L80 HydrophobicContact CE2-CG 4.19Å; F76-L80 HydrophobicContact CG-CD1 4.5Å; F76-L80 HydrophobicContact CZ-CD1 3.81Å; F76-L80 HydrophobicContact CZ-CD2 4.09Å; F76-L80 HydrophobicContact CZ-CG 4.04Å; F76-L80 WeakPolarHBondContact O-CG 3.3Å; F76-L80 PolarHBondContact O-N 2.92Å; S77-L80 WeakPolarHBondContact O-CB 3.46Å; S77-L80 PolarHBondContact O-N 3.18Å; S77-L80 VanDerWaalsContact O-N 3.16Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 3.46Å; L80-L83 WeakPolarHBondContact O-CB 3.21Å; L80-L83 PolarHBondContact O-N 2.99Å; L80-A84 WeakPolarHBondContact O-CB 3.48Å; L80-A84 PolarHBondContact O-N 3.42Å; L80-T123 HydrophobicContact CD2-CG2 4.43Å; L80-F126 HydrophobicContact CD1-CD1 3.48Å; L80-F126 VanDerWaalsContact CD1-CD1 3.48Å; L80-F126 HydrophobicContact CD1-CE1 3.6Å; L80-F126 HydrophobicContact CD1-CG 4.33Å; L80-F126 HydrophobicContact CD2-CD1 4.07Å; L80-F126 HydrophobicContact CD2-CE1 4.24Å; L80-F126 HydrophobicContact CG-CD1 4.41Å; L80-A127 HydrophobicContact CB-CB 3.57Å; L80-A127 HydrophobicContact CD1-CB 4.38Å |
| 81 | F | 94.6 | Very high | 84.2 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 173.1 | -81.2 | -61.2 | 0 | 0 | 0 | 112.2 | S77 S78 A84 K85 A127 E128 | S77-F81 VanDerWaalsContact O-CD2 3.31Å; S77-F81 WeakPolarHBondContact O-CD2 3.22Å; S77-F81 PolarHBondContact O-N 3.42Å; S78-F81 PolarHBondContact O-N 3.12Å; F81-A84 PolarHBondContact O-N 2.9Å; F81-K85 PolarHBondContact O-N 3.44Å; F81-A127 HydrophobicContact CD1-CB 3.88Å; F81-A127 HydrophobicContact CD2-CB 3.72Å; F81-A127 HydrophobicContact CE1-CB 3.84Å; F81-A127 HydrophobicContact CE2-CB 3.69Å; F81-A127 HydrophobicContact CG-CB 3.82Å; F81-A127 HydrophobicContact CZ-CB 3.75Å; F81-E128 HydrophobicContact CZ-CB 4.34Å |
| 82 | K | 91 | Very high | 82.6 | Confident | 130 Ų | 130 | 66 Ų | 66 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 173.8 | -70 | 170.8 | -172.5 | 173.6 | 0 | 111.2 | S78 S79 L80 K85 C86 | S78-K82 WeakPolarHBondContact O-CG 3.43Å; S78-K82 PolarHBondContact O-N 3.01Å; S78-K82 VanDerWaalsContact O-N 3.08Å; S79-K82 PolarHBondContact O-N 3.35Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 3.46Å; K82-K85 WeakPolarHBondContact O-CB 3.37Å; K82-K85 PolarHBondContact O-N 3.45Å; K82-C86 PolarHBondContact O-N 2.98Å; K82-C86 PolarHBondContact O-SG 3.29Å |
| 83 | L | 88 | Confident | 80.9 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 175.6 | 178.2 | 61.5 | 0 | 0 | 0 | 111.2 | S79 L80 K85 C86 I87 T123 | S79-L83 WeakPolarHBondContact O-CB 3.31Å; S79-L83 PolarHBondContact O-N 2.95Å; L80-L83 WeakPolarHBondContact O-CB 3.21Å; L80-L83 PolarHBondContact O-N 2.99Å; L83-K85 VanDerWaalsContact C-N 3.27Å; L83-K85 PolarHBondContact O-N 3.32Å; L83-C86 WeakPolarHBondContact O-CB 3.37Å; L83-C86 PolarHBondContact O-N 3.35Å; L83-C86 VanDerWaalsContact O-N 3.08Å; L83-I87 HydrophobicContact CD1-CD1 4.2Å; L83-I87 HydrophobicContact CD1-CG1 4.27Å; L83-I87 HydrophobicContact CG-CD1 3.96Å; L83-I87 HydrophobicContact CG-CG1 4.46Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.26Å; L83-I87 PolarHBondContact O-N 3.48Å; L83-T123 HydrophobicContact CD2-CG2 4.36Å; L83-T123 HydrophobicContact CG-CG2 4.43Å |
| 84 | A | 88.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 2% | 0.017 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.6 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L80 F81 C86 I87 G88 T120 T123 S124 | L80-A84 WeakPolarHBondContact O-CB 3.48Å; L80-A84 PolarHBondContact O-N 3.42Å; F81-A84 PolarHBondContact O-N 2.9Å; A84-C86 PolarHBondContact O-N 2.99Å; A84-I87 PolarHBondContact O-N 3.43Å; A84-G88 PolarHBondContact O-N 2.75Å; A84-T120 HydrophobicContact CB-CG2 4.41Å; A84-T120 WeakPolarHBondContact O-CG2 3.44Å; A84-T123 HydrophobicContact CB-CG2 3.89Å; A84-S124 WeakPolarHBondContact CB-OG 3.23Å |
| 85 | K | 86.5 | Confident | 76.8 | Confident | 147 Ų | 147 | 79.5 Ų | 79.5 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 174.7 | -172.4 | 178.5 | -179.4 | 179.3 | 0 | 112.2 | F81 K82 L83 G88 L89 | F81-K85 PolarHBondContact O-N 3.44Å; K82-K85 WeakPolarHBondContact O-CB 3.37Å; K82-K85 PolarHBondContact O-N 3.45Å; L83-K85 VanDerWaalsContact C-N 3.27Å; L83-K85 PolarHBondContact O-N 3.32Å; K85-G88 CarbonylContact O-C 3.57Å; K85-G88 PolarHBondContact O-N 2.98Å; K85-L89 HydrophobicContact CG-CD1 4.47Å; K85-L89 WeakPolarHBondContact O-CG 3.45Å; K85-L89 PolarHBondContact O-N 3.38Å |
| 86 | C | 83 | Confident | 74.4 | Confident | 81 Ų | 81 | 82.5 Ų | 82.5 | 55% | 0.547 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.7 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | K82 L83 A84 G88 L89 G90 | K82-C86 PolarHBondContact O-N 2.98Å; K82-C86 PolarHBondContact O-SG 3.29Å; L83-C86 WeakPolarHBondContact O-CB 3.37Å; L83-C86 PolarHBondContact O-N 3.35Å; L83-C86 VanDerWaalsContact O-N 3.08Å; A84-C86 PolarHBondContact O-N 2.99Å; C86-G88 VanDerWaalsContact C-N 3.25Å; C86-G88 PolarHBondContact O-N 3.44Å; C86-L89 PolarHBondContact O-N 2.91Å; C86-G90 PolarHBondContact O-N 2.92Å |
| 87 | I | 79.9 | Confident | 71.8 | Confident | 41 Ų | 41 | 86.8 Ų | 86.8 | 21% | 0.21 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59 | -42.4 | 173.7 | -64.7 | 168.6 | 0 | 0 | 0 | 109.4 | L83 A84 G90 L116 A119 T120 | L83-I87 HydrophobicContact CD1-CD1 4.2Å; L83-I87 HydrophobicContact CD1-CG1 4.27Å; L83-I87 HydrophobicContact CG-CD1 3.96Å; L83-I87 HydrophobicContact CG-CG1 4.46Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.26Å; L83-I87 PolarHBondContact O-N 3.48Å; A84-I87 PolarHBondContact O-N 3.43Å; I87-G90 PolarHBondContact O-N 3.4Å; I87-L116 HydrophobicContact CG2-CD1 3.66Å; I87-L116 HydrophobicContact CG2-CD2 4.42Å; I87-L116 HydrophobicContact CG2-CG 3.66Å; I87-L116 WeakPolarHBondContact O-CD2 3.38Å; I87-A119 HydrophobicContact CG2-CB 4.43Å; I87-T120 VanDerWaalsContact CG2-OG1 3.24Å; I87-T120 WeakPolarHBondContact CG2-OG1 3.39Å |
| 88 | G | 74.5 | Confident | 69.4 | Low | 18 Ų | 18 | 92.4 Ų | 92.4 | 19% | 0.186 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A84 K85 C86 G90 L91 T120 | A84-G88 PolarHBondContact O-N 2.75Å; K85-G88 CarbonylContact O-C 3.57Å; K85-G88 PolarHBondContact O-N 2.98Å; C86-G88 VanDerWaalsContact C-N 3.25Å; C86-G88 PolarHBondContact O-N 3.44Å; G88-G90 PolarHBondContact O-N 3.15Å; G88-L91 WeakPolarHBondContact O-CB 3.35Å; G88-L91 WeakPolarHBondContact O-CD1 3.31Å; G88-L91 VanDerWaalsContact O-CG 3.23Å; G88-L91 WeakPolarHBondContact O-CG 3.32Å; G88-L91 PolarHBondContact O-N 3.47Å; G88-T120 PolarHBondContact N-OG1 2.91Å |
| 89 | L | 72.1 | Confident | 66.9 | Low | 88 Ų | 88 | 96.6 Ų | 96.6 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -27.6 | 178.1 | -75.8 | 170.9 | 0 | 0 | 0 | 112.8 | K85 C86 L91 D92 | K85-L89 HydrophobicContact CG-CD1 4.47Å; K85-L89 WeakPolarHBondContact O-CG 3.45Å; K85-L89 PolarHBondContact O-N 3.38Å; C86-L89 PolarHBondContact O-N 2.91Å; L89-L91 PolarHBondContact O-N 3.3Å; L89-L91 VanDerWaalsContact O-N 3.08Å; L89-D92 PolarHBondContact O-N 3.48Å |
| 90 | G | 61.7 | Low | 64.6 | Low | 50 Ų | 50 | 97.5 Ų | 97.5 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -18.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C86 I87 G88 | C86-G90 PolarHBondContact O-N 2.92Å; I87-G90 PolarHBondContact O-N 3.4Å; G88-G90 PolarHBondContact O-N 3.15Å |
| 91 | L | 55.8 | Low | 62.7 | Low | 41 Ų | 41 | 100.6 Ų | 100.6 | 22% | 0.215 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -27.7 | 176.7 | -54.9 | 168.3 | 0 | 0 | 0 | 113.2 | G88 L89 Q113 L116 N117 | G88-L91 WeakPolarHBondContact O-CB 3.35Å; G88-L91 WeakPolarHBondContact O-CD1 3.31Å; G88-L91 VanDerWaalsContact O-CG 3.23Å; G88-L91 WeakPolarHBondContact O-CG 3.32Å; G88-L91 PolarHBondContact O-N 3.47Å; L89-L91 PolarHBondContact O-N 3.3Å; L89-L91 VanDerWaalsContact O-N 3.08Å; L91-Q113 HydrophobicContact CD2-CG 4.46Å; L91-Q113 VanDerWaalsContact CD2-OE1 3.26Å; L91-L116 HydrophobicContact CD2-CB 3.72Å; L91-L116 HydrophobicContact CD2-CD2 3.5Å; L91-L116 VanDerWaalsContact CD2-CD2 3.5Å; L91-L116 HydrophobicContact CD2-CG 4.05Å; L91-L116 HydrophobicContact CG-CD2 3.92Å; L91-N117 WeakPolarHBondContact CD1-OD1 3.31Å |
| 92 | D | 51.8 | Low | 60.6 | Low | 131 Ų | 131 | 103.5 Ų | 103.5 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -21.3 | -176.3 | -81.1 | -22.9 | 0 | 0 | 0 | 112.6 | L89 K94 | L89-D92 PolarHBondContact O-N 3.48Å; D92-K94 VanDerWaalsContact C-N 3.31Å; D92-K94 PolarHBondContact O-N 3.08Å |
| 93 | Q | 47.9 | Very low | 58.3 | Low | 120 Ų | 120 | 101.3 Ų | 101.3 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | trans | -75.5 | 82.2 | 175.9 | -75.7 | -166.5 | -1.6 | 0 | 0 | 111.6 | Q95 | Q93-Q95 PolarHBondContact O-N 3.32Š| ||
| 94 | K | 49 | Very low | 56.4 | Low | 208 Ų | 208 | 99.4 Ų | 99.4 | 90% | 0.904 | 54% | 0.54 | S | S | * | . | trans | -69.5 | 7.8 | 158.1 | -78.9 | -173.1 | 176.4 | 179.5 | 0 | 113.8 | D92 | D92-K94 VanDerWaalsContact C-N 3.31Å; D92-K94 PolarHBondContact O-N 3.08Å | ||
| 95 | Q | 42.4 | Very low | 54.5 | Low | 160 Ų | 160 | 106.8 Ų | 106.8 | 75% | 0.748 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -93.7 | 110.8 | 178 | -81.1 | -175.4 | -9.4 | 0 | 0 | 111 | Q93 W97 | Q93-Q95 PolarHBondContact O-N 3.32Å; Q95-W97 VanDerWaalsContact O-CD1 3.23Å; Q95-W97 PolarHBondContact O-N 2.91Å |
| 96 | S | 37.1 | Very low | 52.7 | Low | 116 Ų | 116 | 107.6 Ų | 107.6 | 81% | 0.811 | 58% | 0.578 | S | S | * | * | trans | -21.5 | 88.5 | 170.4 | 60.9 | 0 | 0 | 0 | 0 | 116.3 | S98 | S96-S98 PolarHBondContact O-N 3.47Š| ||
| 97 | W | 37.8 | Very low | 50.9 | Low | 190 Ų | 190 | 112 Ų | 112 | 72% | 0.72 | 58% | 0.584 | S | S | * | * | trans | -80.5 | 104.8 | 152.2 | -70.2 | 72.7 | 0 | 0 | 0 | 106.5 | Q95 F99 | Q95-W97 VanDerWaalsContact O-CD1 3.23Å; Q95-W97 PolarHBondContact O-N 2.91Å; W97-F99 HydrophobicContact CB-CD2 4.47Å; W97-F99 PolarHBondContact O-N 2.94Å | ||
| 98 | S | 41.3 | Very low | 49.6 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 84% | 0.839 | 60% | 0.604 | S | S | * | * | trans | -71.9 | 70.1 | 170.9 | 60.7 | 0 | 0 | 0 | 0 | 109.1 | S96 S100 | S96-S98 PolarHBondContact O-N 3.47Å; S98-S100 PolarHBondContact O-N 3.46Å | ||
| 99 | F | 38.6 | Very low | 48.3 | Very low | 144 Ų | 144 | 121.2 Ų | 121.2 | 63% | 0.632 | 63% | 0.629 | S | S | * | * | trans | -59.9 | 134.5 | 157.9 | -102 | -88 | 0 | 0 | 0 | 107.1 | W97 S101 | W97-F99 HydrophobicContact CB-CD2 4.47Å; W97-F99 PolarHBondContact O-N 2.94Å; F99-S101 PolarHBondContact O-N 2.92Å | ||
| 100 | S | 43.8 | Very low | 47.1 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | trans | -38.6 | 125.9 | 178.5 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | S98 N102 L103 | S98-S100 PolarHBondContact O-N 3.46Å; S100-N102 PolarHBondContact O-N 3.26Å; S100-L103 PolarHBondContact O-N 3.34Å; S100-L103 VanDerWaalsContact O-N 3.17Å | ||
| 101 | S | 51.9 | Low | 47.2 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 57% | 0.566 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -52.9 | -17.2 | -160 | 51.4 | 0 | 0 | 0 | 0 | 116 | F99 S104 | F99-S101 PolarHBondContact O-N 2.92Å; S101-S104 PolarHBondContact O-OG 3.12Å |
| 102 | N | 49.7 | Very low | 47.4 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.2 | -37.1 | -178.1 | -70.8 | -5.1 | 0 | 0 | 0 | 113.3 | S100 | S100-N102 PolarHBondContact O-N 3.26Å |
| 103 | L | 43.8 | Very low | 48.2 | Very low | 84 Ų | 84 | 124.9 Ų | 124.9 | 44% | 0.44 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.7 | -32.4 | 177.1 | -89.3 | 153.4 | 0 | 0 | 0 | 112.2 | S100 K105 E106 W107 | S100-L103 PolarHBondContact O-N 3.34Å; S100-L103 VanDerWaalsContact O-N 3.17Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.41Å; L103-E106 PolarHBondContact O-N 3.47Å; L103-W107 PolarHBondContact O-N 3.05Å |
| 104 | S | 46.8 | Very low | 49.2 | Very low | 48 Ų | 48 | 126.6 Ų | 126.6 | 34% | 0.336 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.7 | -30.7 | -178.4 | 79.9 | 0 | 0 | 0 | 0 | 113.3 | S101 N108 | S101-S104 PolarHBondContact O-OG 3.12Å; S104-N108 WeakPolarHBondContact O-CB 3.3Å; S104-N108 PolarHBondContact O-N 3.15Å; S104-N108 PolarHBondContact O-ND2 2.85Å; S104-N108 VanDerWaalsContact O-ND2 3.12Å |
| 105 | K | 49.2 | Very low | 50.3 | Low | 157 Ų | 157 | 122.2 Ų | 122.2 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.8 | -34.7 | -178.9 | -77.4 | -174.7 | 177.5 | 178.7 | 0 | 112.9 | L103 | L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.41Å |
| 106 | E | 49.8 | Very low | 51.9 | Low | 163 Ų | 163 | 117.5 Ų | 117.5 | 76% | 0.762 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.9 | -33.4 | 174.4 | -71.1 | -171.7 | 162.3 | 0 | 0 | 111.8 | L103 | L103-E106 PolarHBondContact O-N 3.47Å |
| 107 | W | 45.2 | Very low | 53.9 | Low | 175 Ų | 175 | 115.5 Ų | 115.5 | 66% | 0.663 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.5 | -23.3 | -178.4 | -84.2 | 23.9 | 0 | 0 | 0 | 114.9 | L103 T112 | L103-W107 PolarHBondContact O-N 3.05Å; W107-T112 HydrophobicContact CB-CG2 3.98Å; W107-T112 HydrophobicContact CD2-CG2 4.39Å; W107-T112 HydrophobicContact CG-CG2 4.14Å; W107-T112 WeakPolarHBondContact O-CG2 3.42Å; W107-T112 PolarHBondContact O-OG1 2.99Å |
| 108 | N | 51.8 | Low | 55.9 | Low | 119 Ų | 119 | 111.8 Ų | 111.8 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -19.3 | -171.9 | -82.3 | -19.2 | 0 | 0 | 0 | 114.9 | S104 | S104-N108 WeakPolarHBondContact O-CB 3.3Å; S104-N108 PolarHBondContact O-N 3.15Å; S104-N108 PolarHBondContact O-ND2 2.85Å; S104-N108 VanDerWaalsContact O-ND2 3.12Å |
| 109 | N | 47.2 | Very low | 57.8 | Low | 132 Ų | 132 | 107.7 Ų | 107.7 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -25.9 | -160.6 | -87.9 | -9.3 | 0 | 0 | 0 | 116.8 | ||
| 110 | F | 46.8 | Very low | 60.1 | Low | 208 Ų | 208 | 102 Ų | 102 | 91% | 0.912 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -166.1 | 101 | 170.9 | -114 | -88 | 0 | 0 | 0 | 110.5 | ||
| 111 | G | 62.7 | Low | 62 | Low | 27 Ų | 27 | 103.1 Ų | 103.1 | 28% | 0.278 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | 13.7 | 152 | 0 | 0 | 0 | 0 | 0 | 119.5 | Q113 K114 I115 | G111-Q113 VanDerWaalsContact C-N 3.26Å; G111-Q113 PolarHBondContact O-N 3.31Å; G111-K114 CarbonylContact O-C 3.34Å; G111-K114 WeakPolarHBondContact O-CA 3.44Å; G111-K114 WeakPolarHBondContact O-CB 3.38Å; G111-K114 PolarHBondContact O-N 3.32Å; G111-I115 WeakPolarHBondContact O-CG1 3.24Å; G111-I115 PolarHBondContact O-N 2.94Å |
| 112 | T | 62 | Low | 63.6 | Low | 61 Ų | 61 | 101.5 Ų | 101.5 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -51.8 | -44.4 | 170.6 | 39.3 | 0 | 0 | 0 | 0 | 112.5 | W107 K114 I115 L116 | W107-T112 HydrophobicContact CB-CG2 3.98Å; W107-T112 HydrophobicContact CD2-CG2 4.39Å; W107-T112 HydrophobicContact CG-CG2 4.14Å; W107-T112 WeakPolarHBondContact O-CG2 3.42Å; W107-T112 PolarHBondContact O-OG1 2.99Å; T112-K114 PolarHBondContact O-N 3.2Å; T112-I115 PolarHBondContact O-N 2.8Å; T112-L116 WeakPolarHBondContact O-CB 3.41Å; T112-L116 PolarHBondContact O-N 3.36Å |
| 113 | Q | 66.7 | Low | 65.3 | Low | 91 Ų | 91 | 96.3 Ų | 96.3 | 43% | 0.425 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.9 | -44 | 172.4 | -174.7 | 70.5 | 37.1 | 0 | 0 | 112.6 | L91 G111 L116 N117 | L91-Q113 HydrophobicContact CD2-CG 4.46Å; L91-Q113 VanDerWaalsContact CD2-OE1 3.26Å; G111-Q113 VanDerWaalsContact C-N 3.26Å; G111-Q113 PolarHBondContact O-N 3.31Å; Q113-L116 PolarHBondContact O-N 3.3Å; Q113-N117 PolarHBondContact NE2-OD1 3.24Å; Q113-N117 VanDerWaalsContact NE2-OD1 3.07Å; Q113-N117 VanDerWaalsContact O-CB 3.26Å; Q113-N117 WeakPolarHBondContact O-CB 3.45Å; Q113-N117 PolarHBondContact O-N 2.99Å; Q113-N117 PolarHBondContact O-OD1 2.93Å |
| 114 | K | 69.4 | Low | 67.5 | Low | 157 Ų | 157 | 94.1 Ų | 94.1 | 68% | 0.683 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 179.1 | -73.1 | -174.4 | 178.8 | 179.6 | 0 | 111 | G111 T112 H118 | G111-K114 CarbonylContact O-C 3.34Å; G111-K114 WeakPolarHBondContact O-CA 3.44Å; G111-K114 WeakPolarHBondContact O-CB 3.38Å; G111-K114 PolarHBondContact O-N 3.32Å; T112-K114 PolarHBondContact O-N 3.2Å; K114-H118 VanDerWaalsContact O-CB 3.24Å; K114-H118 WeakPolarHBondContact O-CB 3.36Å; K114-H118 PolarHBondContact O-N 2.88Å |
| 115 | I | 72.2 | Confident | 69.5 | Low | 116 Ų | 116 | 94.5 Ų | 94.5 | 60% | 0.595 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 176.6 | -65.4 | 166 | 0 | 0 | 0 | 109.9 | G111 T112 H118 A119 | G111-I115 WeakPolarHBondContact O-CG1 3.24Å; G111-I115 PolarHBondContact O-N 2.94Å; T112-I115 PolarHBondContact O-N 2.8Å; I115-H118 PolarHBondContact O-N 3.42Å; I115-A119 WeakPolarHBondContact O-CB 3.35Å; I115-A119 PolarHBondContact O-N 2.81Å |
| 116 | L | 75.9 | Confident | 71.3 | Confident | 61 Ų | 61 | 89.4 Ų | 89.4 | 32% | 0.319 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | -178.8 | -148.9 | 70.7 | 0 | 0 | 0 | 112.1 | I87 L91 T112 Q113 H118 A119 T120 | I87-L116 HydrophobicContact CG2-CD1 3.66Å; I87-L116 HydrophobicContact CG2-CD2 4.42Å; I87-L116 HydrophobicContact CG2-CG 3.66Å; I87-L116 WeakPolarHBondContact O-CD2 3.38Å; L91-L116 HydrophobicContact CD2-CB 3.72Å; L91-L116 HydrophobicContact CD2-CD2 3.5Å; L91-L116 VanDerWaalsContact CD2-CD2 3.5Å; L91-L116 HydrophobicContact CD2-CG 4.05Å; L91-L116 HydrophobicContact CG-CD2 3.92Å; T112-L116 WeakPolarHBondContact O-CB 3.41Å; T112-L116 PolarHBondContact O-N 3.36Å; Q113-L116 PolarHBondContact O-N 3.3Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 2.97Å; L116-A119 PolarHBondContact O-N 2.9Å; L116-T120 WeakPolarHBondContact O-CB 3.31Å; L116-T120 PolarHBondContact O-N 3.17Å; L116-T120 PolarHBondContact O-OG1 3.38Å |
| 117 | N | 78.8 | Confident | 73.3 | Confident | 74 Ų | 74 | 81.6 Ų | 81.6 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 169.9 | -74.2 | -3.9 | 0 | 0 | 0 | 110.9 | L91 Q113 T120 H121 | L91-N117 WeakPolarHBondContact CD1-OD1 3.31Å; Q113-N117 PolarHBondContact NE2-OD1 3.24Å; Q113-N117 VanDerWaalsContact NE2-OD1 3.07Å; Q113-N117 VanDerWaalsContact O-CB 3.26Å; Q113-N117 WeakPolarHBondContact O-CB 3.45Å; Q113-N117 PolarHBondContact O-N 2.99Å; Q113-N117 PolarHBondContact O-OD1 2.93Å; N117-T120 PolarHBondContact O-N 3.1Å; N117-H121 WeakPolarHBondContact O-CB 3.48Å; N117-H121 PolarHBondContact O-N 3.18Å |
| 118 | H | 79.6 | Confident | 75.4 | Confident | 112 Ų | 112 | 75.6 Ų | 75.6 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 178.9 | -171.2 | 62.4 | 0 | 0 | 0 | 111.9 | K114 I115 L116 T120 H121 L122 | K114-H118 VanDerWaalsContact O-CB 3.24Å; K114-H118 WeakPolarHBondContact O-CB 3.36Å; K114-H118 PolarHBondContact O-N 2.88Å; I115-H118 PolarHBondContact O-N 3.42Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 2.97Å; H118-T120 PolarHBondContact O-N 3.35Å; H118-H121 PolarHBondContact O-N 2.76Å; H118-L122 WeakPolarHBondContact NE2-CD1 3.34Å; H118-L122 WeakPolarHBondContact O-CB 3.29Å; H118-L122 WeakPolarHBondContact O-CG 3.35Å; H118-L122 PolarHBondContact O-N 2.88Å |
| 119 | A | 82 | Confident | 77.2 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I87 I115 L116 T123 | I87-A119 HydrophobicContact CG2-CB 4.43Å; I115-A119 WeakPolarHBondContact O-CB 3.35Å; I115-A119 PolarHBondContact O-N 2.81Å; L116-A119 PolarHBondContact O-N 2.9Å; A119-T123 VanDerWaalsContact O-CB 3.27Å; A119-T123 WeakPolarHBondContact O-CB 3.42Å; A119-T123 PolarHBondContact O-N 3.45Å; A119-T123 PolarHBondContact O-OG1 2.99Å |
| 120 | T | 85.9 | Confident | 79.1 | Confident | 26 Ų | 26 | 65 Ų | 65 | 16% | 0.16 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 174.5 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | A84 I87 G88 L116 N117 H118 T123 S124 | A84-T120 HydrophobicContact CB-CG2 4.41Å; A84-T120 WeakPolarHBondContact O-CG2 3.44Å; I87-T120 VanDerWaalsContact CG2-OG1 3.24Å; I87-T120 WeakPolarHBondContact CG2-OG1 3.39Å; G88-T120 PolarHBondContact N-OG1 2.91Å; L116-T120 WeakPolarHBondContact O-CB 3.31Å; L116-T120 PolarHBondContact O-N 3.17Å; L116-T120 PolarHBondContact O-OG1 3.38Å; N117-T120 PolarHBondContact O-N 3.1Å; H118-T120 PolarHBondContact O-N 3.35Å; T120-T123 PolarHBondContact O-N 2.87Å; T120-S124 WeakPolarHBondContact O-CB 3.32Å; T120-S124 PolarHBondContact O-N 3.4Å; T120-S124 PolarHBondContact O-OG 3.5Å |
| 121 | H | 85.5 | Confident | 81.2 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -49.4 | 179.8 | -175.6 | 60.9 | 0 | 0 | 0 | 112.1 | N117 H118 T123 S124 L125 | N117-H121 WeakPolarHBondContact O-CB 3.48Å; N117-H121 PolarHBondContact O-N 3.18Å; H118-H121 PolarHBondContact O-N 2.76Å; H121-T123 VanDerWaalsContact C-N 3.34Å; H121-T123 PolarHBondContact O-N 3.45Å; H121-S124 WeakPolarHBondContact O-CB 3.44Å; H121-S124 PolarHBondContact O-N 3.27Å; H121-L125 WeakPolarHBondContact NE2-CD1 3.46Å; H121-L125 WeakPolarHBondContact O-CG 3.35Å; H121-L125 PolarHBondContact O-N 2.84Å |
| 122 | L | 84.8 | Confident | 82.5 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 176.7 | -75.4 | 177.5 | 0 | 0 | 0 | 111.9 | H118 S124 L125 F126 | H118-L122 WeakPolarHBondContact NE2-CD1 3.34Å; H118-L122 WeakPolarHBondContact O-CB 3.29Å; H118-L122 WeakPolarHBondContact O-CG 3.35Å; H118-L122 PolarHBondContact O-N 2.88Å; L122-S124 VanDerWaalsContact C-N 3.32Å; L122-S124 PolarHBondContact O-N 3.06Å; L122-L125 PolarHBondContact O-N 3.24Å; L122-F126 WeakPolarHBondContact O-CB 3.34Å; L122-F126 PolarHBondContact O-N 3.12Å |
| 123 | T | 86.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 15% | 0.153 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.2 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | L80 L83 A84 A119 T120 H121 F126 A127 | L80-T123 HydrophobicContact CD2-CG2 4.43Å; L83-T123 HydrophobicContact CD2-CG2 4.36Å; L83-T123 HydrophobicContact CG-CG2 4.43Å; A84-T123 HydrophobicContact CB-CG2 3.89Å; A119-T123 VanDerWaalsContact O-CB 3.27Å; A119-T123 WeakPolarHBondContact O-CB 3.42Å; A119-T123 PolarHBondContact O-N 3.45Å; A119-T123 PolarHBondContact O-OG1 2.99Å; T120-T123 PolarHBondContact O-N 2.87Å; H121-T123 VanDerWaalsContact C-N 3.34Å; H121-T123 PolarHBondContact O-N 3.45Å; T123-F126 PolarHBondContact O-N 3.36Å; T123-A127 WeakPolarHBondContact O-CB 3.2Å; T123-A127 PolarHBondContact O-N 3.29Å |
| 124 | S | 89.4 | Confident | 84.7 | Confident | 37 Ų | 37 | 58 Ų | 58 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.6 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | A84 T120 H121 L122 F126 A127 E128 | A84-S124 WeakPolarHBondContact CB-OG 3.23Å; T120-S124 WeakPolarHBondContact O-CB 3.32Å; T120-S124 PolarHBondContact O-N 3.4Å; T120-S124 PolarHBondContact O-OG 3.5Å; H121-S124 WeakPolarHBondContact O-CB 3.44Å; H121-S124 PolarHBondContact O-N 3.27Å; L122-S124 VanDerWaalsContact C-N 3.32Å; L122-S124 PolarHBondContact O-N 3.06Å; S124-F126 VanDerWaalsContact C-N 3.35Å; S124-A127 WeakPolarHBondContact O-CB 3.47Å; S124-A127 PolarHBondContact O-N 3.12Å; S124-E128 PolarHBondContact O-N 3.34Å |
| 125 | L | 88.5 | Confident | 85.5 | Confident | 57 Ų | 57 | 54 Ų | 54 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 175.2 | -72.5 | 176.7 | 0 | 0 | 0 | 111.6 | H121 L122 E128 Q129 L245 | H121-L125 WeakPolarHBondContact NE2-CD1 3.46Å; H121-L125 WeakPolarHBondContact O-CG 3.35Å; H121-L125 PolarHBondContact O-N 2.84Å; L122-L125 PolarHBondContact O-N 3.24Å; L125-E128 WeakPolarHBondContact O-CB 3.4Å; L125-E128 PolarHBondContact O-N 3.05Å; L125-Q129 WeakPolarHBondContact O-CG 3.47Å; L125-Q129 PolarHBondContact O-N 3.44Å; L125-L245 HydrophobicContact CB-CD1 4.41Å; L125-L245 HydrophobicContact CB-CD2 3.8Å; L125-L245 HydrophobicContact CD1-CD2 3.62Å; L125-L245 HydrophobicContact CG-CD2 4.29Å |
| 126 | F | 87.6 | Confident | 86.2 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.4 | -178 | -131 | 0 | 0 | 0 | 111.4 | F76 L80 L122 T123 S124 E128 Q129 T130 Y238 L242 | F76-F126 HydrophobicContact CE1-CE1 4.07Å; F76-F126 HydrophobicContact CE1-CZ 4.24Å; F76-F126 HydrophobicContact CZ-CE1 4.21Å; L80-F126 HydrophobicContact CD1-CD1 3.48Å; L80-F126 VanDerWaalsContact CD1-CD1 3.48Å; L80-F126 HydrophobicContact CD1-CE1 3.6Å; L80-F126 HydrophobicContact CD1-CG 4.33Å; L80-F126 HydrophobicContact CD2-CD1 4.07Å; L80-F126 HydrophobicContact CD2-CE1 4.24Å; L80-F126 HydrophobicContact CG-CD1 4.41Å; L122-F126 WeakPolarHBondContact O-CB 3.34Å; L122-F126 PolarHBondContact O-N 3.12Å; T123-F126 PolarHBondContact O-N 3.36Å; S124-F126 VanDerWaalsContact C-N 3.35Å; F126-E128 PolarHBondContact O-N 2.73Å; F126-Q129 PolarHBondContact O-N 3.48Å; F126-Q129 VanDerWaalsContact O-N 3.12Å; F126-T130 PolarHBondContact O-N 3.28Å; F126-T130 PolarHBondContact O-OG1 3.3Å; F126-T130 VanDerWaalsContact O-OG1 3.1Å; F126-Y238 VanDerWaalsContact CE2-OH 3.3Å; F126-Y238 WeakPolarHBondContact CE2-OH 3.12Å; F126-L242 HydrophobicContact CD2-CD2 3.64Å; F126-L242 HydrophobicContact CE2-CD1 4.46Å; F126-L242 HydrophobicContact CE2-CD2 3.75Å |
| 127 | A | 90.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.8 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S77 L80 F81 T123 S124 T130 R131 | S77-A127 PolarHBondContact OG-O 3.23Å; L80-A127 HydrophobicContact CB-CB 3.57Å; L80-A127 HydrophobicContact CD1-CB 4.38Å; F81-A127 HydrophobicContact CD1-CB 3.88Å; F81-A127 HydrophobicContact CD2-CB 3.72Å; F81-A127 HydrophobicContact CE1-CB 3.84Å; F81-A127 HydrophobicContact CE2-CB 3.69Å; F81-A127 HydrophobicContact CG-CB 3.82Å; F81-A127 HydrophobicContact CZ-CB 3.75Å; T123-A127 WeakPolarHBondContact O-CB 3.2Å; T123-A127 PolarHBondContact O-N 3.29Å; S124-A127 WeakPolarHBondContact O-CB 3.47Å; S124-A127 PolarHBondContact O-N 3.12Å; A127-T130 PolarHBondContact O-N 3.33Å; A127-R131 PolarHBondContact O-N 3.43Å |
| 128 | E | 91.3 | Very high | 87 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 177.1 | -175.2 | 60.9 | -163.2 | 0 | 0 | 112.5 | F81 S124 L125 F126 R131 K132 | F81-E128 HydrophobicContact CZ-CB 4.34Å; S124-E128 PolarHBondContact O-N 3.34Å; L125-E128 WeakPolarHBondContact O-CB 3.4Å; L125-E128 PolarHBondContact O-N 3.05Å; F126-E128 PolarHBondContact O-N 2.73Å; E128-R131 WeakPolarHBondContact O-CB 3.12Å; E128-R131 PolarHBondContact O-N 2.93Å; E128-R131 IonicContact OE1-CZ 2.67Å; E128-R131 IonicContact OE1-NH2 2.89Å; E128-R131 PolarHBondContact OE1-NH2 3.01Å; E128-R131 IonicContact OE2-CZ 3.55Å; E128-R131 IonicContact OE2-NE 3.14Å; E128-R131 PolarHBondContact OE2-NE 2.9Å; E128-R131 IonicContact OE2-NH2 2.65Å; E128-R131 PolarHBondContact OE2-NH2 3.36Å; E128-K132 WeakPolarHBondContact O-CG 3.26Å; E128-K132 PolarHBondContact O-N 3.28Å; E128-K132 WeakPolarHBondContact OE1-CE 3.38Å |
| 129 | Q | 88 | Confident | 87.2 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 177.2 | -64.1 | -58.3 | -16 | 0 | 0 | 111.9 | L125 F126 R131 K132 L133 Y238 Q241 L245 | L125-Q129 WeakPolarHBondContact O-CG 3.47Å; L125-Q129 PolarHBondContact O-N 3.44Å; F126-Q129 PolarHBondContact O-N 3.48Å; F126-Q129 VanDerWaalsContact O-N 3.12Å; Q129-R131 VanDerWaalsContact C-N 3.31Å; Q129-R131 PolarHBondContact O-N 3.31Å; Q129-K132 PolarHBondContact O-N 3.47Å; Q129-L133 PolarHBondContact O-N 2.84Å; Q129-Y238 HydrophobicContact CB-CE2 4.12Å; Q129-Q241 HydrophobicContact CG-CB 4.35Å; Q129-Q241 VanDerWaalsContact NE2-OE1 3.11Å; Q129-L245 HydrophobicContact CG-CD1 3.72Å |
| 130 | T | 88.6 | Confident | 87.3 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 172.6 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | F76 F126 A127 L133 A134 | F76-T130 HydrophobicContact CD1-CG2 3.74Å; F76-T130 HydrophobicContact CE1-CG2 4.44Å; F126-T130 PolarHBondContact O-N 3.28Å; F126-T130 PolarHBondContact O-OG1 3.3Å; F126-T130 VanDerWaalsContact O-OG1 3.1Å; A127-T130 PolarHBondContact O-N 3.33Å; T130-L133 WeakPolarHBondContact O-CB 3.21Å; T130-L133 PolarHBondContact O-N 2.89Å; T130-A134 PolarHBondContact O-N 3.11Å |
| 131 | R | 90.8 | Very high | 87.1 | Confident | 108 Ų | 108 | 48.7 Ų | 48.7 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.4 | -165.4 | 163 | 60.8 | 88 | -5.5 | 111.9 | S77 A127 E128 Q129 L133 A134 T135 | S77-R131 WeakPolarHBondContact OG-CB 3.43Å; A127-R131 PolarHBondContact O-N 3.43Å; E128-R131 WeakPolarHBondContact O-CB 3.12Å; E128-R131 PolarHBondContact O-N 2.93Å; E128-R131 IonicContact OE1-CZ 2.67Å; E128-R131 IonicContact OE1-NH2 2.89Å; E128-R131 PolarHBondContact OE1-NH2 3.01Å; E128-R131 IonicContact OE2-CZ 3.55Å; E128-R131 IonicContact OE2-NE 3.14Å; E128-R131 PolarHBondContact OE2-NE 2.9Å; E128-R131 IonicContact OE2-NH2 2.65Å; E128-R131 PolarHBondContact OE2-NH2 3.36Å; Q129-R131 VanDerWaalsContact C-N 3.31Å; Q129-R131 PolarHBondContact O-N 3.31Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 3.21Å; R131-A134 WeakPolarHBondContact O-CB 3.32Å; R131-A134 PolarHBondContact O-N 3.07Å; R131-T135 PolarHBondContact O-N 3.41Å; R131-T135 PolarHBondContact O-OG1 3.28Å |
| 132 | K | 88.8 | Confident | 86.8 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 39% | 0.391 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 176.2 | -72.9 | 174.5 | -178.2 | 174.2 | 0 | 112.1 | E128 Q129 T135 K136 | E128-K132 WeakPolarHBondContact O-CG 3.26Å; E128-K132 PolarHBondContact O-N 3.28Å; E128-K132 WeakPolarHBondContact OE1-CE 3.38Å; Q129-K132 PolarHBondContact O-N 3.47Å; K132-T135 WeakPolarHBondContact CA-OG1 3.5Å; K132-T135 PolarHBondContact O-N 2.92Å; K132-T135 PolarHBondContact O-OG1 2.94Å; K132-K136 WeakPolarHBondContact O-CG 3.34Å; K132-K136 PolarHBondContact O-N 3.06Å |
| 133 | L | 87.8 | Confident | 86.5 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 173.4 | 171.9 | 62.1 | 0 | 0 | 0 | 110.9 | Q129 T130 R131 T135 K136 I137 I234 Y238 | Q129-L133 PolarHBondContact O-N 2.84Å; T130-L133 WeakPolarHBondContact O-CB 3.21Å; T130-L133 PolarHBondContact O-N 2.89Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 3.21Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 3.24Å; L133-K136 PolarHBondContact O-N 3.04Å; L133-K136 VanDerWaalsContact O-N 3.12Å; L133-I137 HydrophobicContact CD1-CD1 4.12Å; L133-I137 HydrophobicContact CD1-CG1 4.27Å; L133-I137 HydrophobicContact CG-CD1 4.11Å; L133-I137 WeakPolarHBondContact O-CG1 3.33Å; L133-I137 PolarHBondContact O-N 2.86Å; L133-I234 HydrophobicContact CD1-CG2 3.31Å; L133-Y238 HydrophobicContact CB-CD2 3.79Å; L133-Y238 HydrophobicContact CB-CE2 4.09Å; L133-Y238 HydrophobicContact CB-CG 4.34Å; L133-Y238 HydrophobicContact CD1-CG 4.34Å; L133-Y238 HydrophobicContact CD2-CD1 3.88Å; L133-Y238 HydrophobicContact CD2-CD2 3.89Å; L133-Y238 HydrophobicContact CD2-CE1 3.92Å; L133-Y238 HydrophobicContact CD2-CE2 3.94Å; L133-Y238 HydrophobicContact CD2-CG 3.85Å; L133-Y238 HydrophobicContact CG-CD2 4.3Å; L133-Y238 HydrophobicContact CG-CG 4.4Å |
| 134 | A | 87.1 | Confident | 86.3 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.7 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | E74 T130 R131 K136 I137 S138 | E74-A134 HydrophobicContact CG-CB 4.23Å; T130-A134 PolarHBondContact O-N 3.11Å; R131-A134 WeakPolarHBondContact O-CB 3.32Å; R131-A134 PolarHBondContact O-N 3.07Å; A134-K136 VanDerWaalsContact C-N 3.33Å; A134-K136 PolarHBondContact O-N 3.41Å; A134-I137 PolarHBondContact O-N 3.47Å; A134-S138 PolarHBondContact O-N 3.4Å |
| 135 | T | 86.5 | Confident | 85.8 | Confident | 73 Ų | 73 | 50 Ų | 50 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 177 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | R131 K132 L133 S138 | R131-T135 PolarHBondContact O-N 3.41Å; R131-T135 PolarHBondContact O-OG1 3.28Å; K132-T135 WeakPolarHBondContact CA-OG1 3.5Å; K132-T135 PolarHBondContact O-N 2.92Å; K132-T135 PolarHBondContact O-OG1 2.94Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 3.24Å; T135-S138 VanDerWaalsContact O-CB 3.3Å; T135-S138 WeakPolarHBondContact O-CB 3.38Å; T135-S138 PolarHBondContact O-N 2.98Å |
| 136 | K | 86.3 | Confident | 85.2 | Confident | 78 Ų | 78 | 54 Ų | 54 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.6 | -31.1 | 177.6 | -73.3 | -175.7 | 179.4 | -169.4 | 0 | 112.8 | K132 L133 A134 S138 D139 I234 S237 | K132-K136 WeakPolarHBondContact O-CG 3.34Å; K132-K136 PolarHBondContact O-N 3.06Å; L133-K136 PolarHBondContact O-N 3.04Å; L133-K136 VanDerWaalsContact O-N 3.12Å; A134-K136 VanDerWaalsContact C-N 3.33Å; A134-K136 PolarHBondContact O-N 3.41Å; K136-S138 PolarHBondContact O-N 2.83Å; K136-D139 WeakPolarHBondContact O-CB 3.5Å; K136-D139 PolarHBondContact O-N 3.09Å; K136-D139 VanDerWaalsContact O-N 3.12Å; K136-I234 HydrophobicContact CB-CD1 4.24Å; K136-I234 HydrophobicContact CB-CG1 4.03Å; K136-I234 HydrophobicContact CB-CG2 4.15Å; K136-I234 WeakPolarHBondContact O-CD1 3.23Å; K136-S237 PolarHBondContact NZ-OG 3.33Å |
| 137 | I | 86.7 | Confident | 84.7 | Confident | 33 Ų | 33 | 53 Ų | 53 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -30.7 | 174.7 | -68.6 | 169.5 | 0 | 0 | 0 | 110.6 | C66 V70 L133 A134 D139 I140 I234 | C66-I137 HydrophobicContact CB-CG2 4.26Å; V70-I137 HydrophobicContact CG2-CB 4.12Å; V70-I137 HydrophobicContact CG2-CG2 3.87Å; L133-I137 HydrophobicContact CD1-CD1 4.12Å; L133-I137 HydrophobicContact CD1-CG1 4.27Å; L133-I137 HydrophobicContact CG-CD1 4.11Å; L133-I137 WeakPolarHBondContact O-CG1 3.33Å; L133-I137 PolarHBondContact O-N 2.86Å; A134-I137 PolarHBondContact O-N 3.47Å; I137-D139 PolarHBondContact O-N 3.16Å; I137-I140 VanDerWaalsContact O-CB 3.29Å; I137-I140 WeakPolarHBondContact O-CB 3.48Å; I137-I140 PolarHBondContact O-N 2.77Å; I137-I140 VanDerWaalsContact O-N 3.11Å; I137-I234 HydrophobicContact CG1-CG2 4.25Å |
| 138 | S | 85.7 | Confident | 84.4 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -25 | 174.8 | -171.7 | 0 | 0 | 0 | 0 | 113.5 | A134 T135 K136 I140 E141 H142 | A134-S138 PolarHBondContact O-N 3.4Å; T135-S138 VanDerWaalsContact O-CB 3.3Å; T135-S138 WeakPolarHBondContact O-CB 3.38Å; T135-S138 PolarHBondContact O-N 2.98Å; K136-S138 PolarHBondContact O-N 2.83Å; S138-I140 PolarHBondContact O-N 3.34Å; S138-E141 WeakPolarHBondContact O-CB 3.46Å; S138-E141 PolarHBondContact O-N 2.92Å; S138-H142 PolarHBondContact O-N 3.35Å |
| 139 | D | 84.2 | Confident | 83.9 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -29.8 | 174.9 | -64 | -27.7 | 0 | 0 | 0 | 111.9 | K136 I137 E141 H142 V143 L230 | K136-D139 WeakPolarHBondContact O-CB 3.5Å; K136-D139 PolarHBondContact O-N 3.09Å; K136-D139 VanDerWaalsContact O-N 3.12Å; I137-D139 PolarHBondContact O-N 3.16Å; D139-E141 VanDerWaalsContact C-N 3.34Å; D139-H142 PolarHBondContact O-N 3.25Å; D139-V143 WeakPolarHBondContact O-CG2 3.39Å; D139-V143 PolarHBondContact O-N 2.88Å; D139-L230 HydrophobicContact CB-CD2 4.1Å |
| 140 | I | 83.5 | Confident | 83.5 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 175.4 | -59.4 | 175.6 | 0 | 0 | 0 | 110.1 | I62 I137 S138 H142 V143 L144 L227 L230 A231 I234 | I62-I140 HydrophobicContact CG2-CG2 4.43Å; I137-I140 VanDerWaalsContact O-CB 3.29Å; I137-I140 WeakPolarHBondContact O-CB 3.48Å; I137-I140 PolarHBondContact O-N 2.77Å; I137-I140 VanDerWaalsContact O-N 3.11Å; S138-I140 PolarHBondContact O-N 3.34Å; I140-H142 VanDerWaalsContact C-N 3.34Å; I140-H142 PolarHBondContact O-N 2.72Å; I140-V143 PolarHBondContact O-N 2.89Å; I140-L144 HydrophobicContact CG2-CD1 4.18Å; I140-L144 WeakPolarHBondContact O-CG 3.49Å; I140-L144 PolarHBondContact O-N 2.89Å; I140-L227 HydrophobicContact CG2-CD2 3.74Å; I140-L230 HydrophobicContact CB-CD2 4.35Å; I140-L230 HydrophobicContact CG1-CD2 3.68Å; I140-L230 HydrophobicContact CG1-CG 3.96Å; I140-A231 HydrophobicContact CD1-CB 4.42Å; I140-I234 HydrophobicContact CD1-CD1 4.03Å; I140-I234 HydrophobicContact CG1-CD1 4.06Å |
| 141 | E | 81.3 | Confident | 83.3 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 23% | 0.229 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.4 | -179 | 175.6 | -160.7 | 0 | 0 | 111.3 | Q63 Q67 S138 D139 V143 L144 S145 | Q63-E141 HydrophobicContact CG-CG 4.31Å; Q63-E141 PolarHBondContact NE2-OE1 3.41Å; Q67-E141 PolarHBondContact NE2-OE1 3.28Å; S138-E141 WeakPolarHBondContact O-CB 3.46Å; S138-E141 PolarHBondContact O-N 2.92Å; D139-E141 VanDerWaalsContact C-N 3.34Å; E141-V143 PolarHBondContact O-N 3.39Å; E141-L144 PolarHBondContact O-N 3.26Å; E141-S145 WeakPolarHBondContact O-CB 3.42Å; E141-S145 PolarHBondContact O-N 3.31Å |
| 142 | H | 78.9 | Confident | 83 | Confident | 142 Ų | 142 | 55.2 Ų | 55.2 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 178.1 | -172.8 | 62.6 | 0 | 0 | 0 | 112.6 | S138 D139 I140 S145 K146 | S138-H142 PolarHBondContact O-N 3.35Å; D139-H142 PolarHBondContact O-N 3.25Å; I140-H142 VanDerWaalsContact C-N 3.34Å; I140-H142 PolarHBondContact O-N 2.72Å; H142-S145 PolarHBondContact O-N 3.41Å; H142-K146 PolarHBondContact O-N 3.43Å |
| 143 | V | 79.1 | Confident | 82.8 | Confident | 45 Ų | 45 | 56.9 Ų | 56.9 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | D139 I140 E141 N147 L227 L230 | D139-V143 WeakPolarHBondContact O-CG2 3.39Å; D139-V143 PolarHBondContact O-N 2.88Å; I140-V143 PolarHBondContact O-N 2.89Å; E141-V143 PolarHBondContact O-N 3.39Å; V143-N147 PolarHBondContact O-N 3.44Å; V143-N147 PolarHBondContact O-ND2 3.47Å; V143-L227 HydrophobicContact CB-CD2 4.15Å; V143-L227 HydrophobicContact CG1-CD2 3.91Å; V143-L230 HydrophobicContact CG2-CD2 4.3Å |
| 144 | L | 82.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 178.1 | -76.5 | 172 | 0 | 0 | 0 | 112.6 | Y59 I62 Q63 I140 E141 K146 N147 N148 L227 | Y59-L144 HydrophobicContact CD1-CD2 3.81Å; Y59-L144 HydrophobicContact CE1-CD2 4.19Å; Y59-L144 HydrophobicContact CG-CD2 4.01Å; I62-L144 HydrophobicContact CB-CD1 3.89Å; I62-L144 HydrophobicContact CG2-CD1 3.53Å; Q63-L144 HydrophobicContact CB-CD1 4.46Å; I140-L144 HydrophobicContact CG2-CD1 4.18Å; I140-L144 WeakPolarHBondContact O-CG 3.49Å; I140-L144 PolarHBondContact O-N 2.89Å; E141-L144 PolarHBondContact O-N 3.26Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 3.32Å; L144-N147 PolarHBondContact O-N 2.89Å; L144-N147 VanDerWaalsContact O-N 3.1Å; L144-N148 WeakPolarHBondContact O-CB 3.19Å; L144-N148 PolarHBondContact O-N 2.94Å; L144-L227 HydrophobicContact CD2-CD1 3.52Å; L144-L227 HydrophobicContact CD2-CD2 4.12Å; L144-L227 HydrophobicContact CD2-CG 4.47Å; L144-L227 HydrophobicContact CG-CD1 4.21Å; L144-L227 HydrophobicContact CG-CD2 3.88Å |
| 145 | S | 79.4 | Confident | 82.8 | Confident | 54 Ų | 54 | 60 Ų | 60 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.2 | -47.2 | 177.8 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | E141 H142 N147 N148 D149 | E141-S145 WeakPolarHBondContact O-CB 3.42Å; E141-S145 PolarHBondContact O-N 3.31Å; H142-S145 PolarHBondContact O-N 3.41Å; S145-N147 VanDerWaalsContact C-N 3.31Å; S145-N147 PolarHBondContact O-N 2.87Å; S145-N148 WeakPolarHBondContact O-CB 3.27Å; S145-N148 PolarHBondContact O-N 2.72Å; S145-N148 VanDerWaalsContact O-N 3.12Å; S145-D149 PolarHBondContact O-N 2.96Å |
| 146 | K | 76.6 | Confident | 82.8 | Confident | 143 Ų | 143 | 61.8 Ų | 61.8 | 62% | 0.622 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.4 | -36.3 | 176.3 | -175.9 | 177.9 | 179.9 | 176.9 | 0 | 113.3 | H142 L144 | H142-K146 PolarHBondContact O-N 3.43Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 3.32Å |
| 147 | N | 76.2 | Confident | 83 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 15% | 0.15 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.3 | -35.9 | 176.7 | -66.2 | -22.8 | 0 | 0 | 0 | 111.2 | Y59 V143 L144 S145 D149 S150 L151 S223 | Y59-N147 HydrophobicContact CE2-CB 3.81Å; V143-N147 PolarHBondContact O-N 3.44Å; V143-N147 PolarHBondContact O-ND2 3.47Å; L144-N147 PolarHBondContact O-N 2.89Å; L144-N147 VanDerWaalsContact O-N 3.1Å; S145-N147 VanDerWaalsContact C-N 3.31Å; S145-N147 PolarHBondContact O-N 2.87Å; N147-D149 VanDerWaalsContact C-N 3.3Å; N147-D149 PolarHBondContact O-N 3.35Å; N147-S150 WeakPolarHBondContact O-CB 3.44Å; N147-S150 PolarHBondContact O-N 2.91Å; N147-S150 VanDerWaalsContact O-N 3.13Å; N147-L151 PolarHBondContact O-N 3.09Å; N147-S223 VanDerWaalsContact ND2-CB 3.35Å; N147-S223 WeakPolarHBondContact ND2-CB 3.49Å; N147-S223 PolarHBondContact ND2-OG 2.83Å |
| 148 | N | 82.9 | Confident | 83.2 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.2 | -33.6 | 176.5 | -149.3 | 14.1 | 0 | 0 | 0 | 111.7 | L144 S145 S150 L151 N152 | L144-N148 WeakPolarHBondContact O-CB 3.19Å; L144-N148 PolarHBondContact O-N 2.94Å; S145-N148 WeakPolarHBondContact O-CB 3.27Å; S145-N148 PolarHBondContact O-N 2.72Å; S145-N148 VanDerWaalsContact O-N 3.12Å; N148-S150 PolarHBondContact O-N 3.05Å; N148-L151 CarbonylContact O-C 3.59Å; N148-L151 WeakPolarHBondContact O-CA 3.37Å; N148-L151 WeakPolarHBondContact O-CB 3.4Å; N148-L151 PolarHBondContact O-N 3.26Å; N148-N152 PolarHBondContact O-N 2.87Å; N148-N152 PolarHBondContact O-ND2 3.13Å; N148-N152 PolarHBondContact O-OD1 3.1Å |
| 149 | D | 80.8 | Confident | 83.4 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.7 | -36 | 172.3 | -66.2 | -23.5 | 0 | 0 | 0 | 112.7 | S145 N147 N152 K153 | S145-D149 PolarHBondContact O-N 2.96Å; N147-D149 VanDerWaalsContact C-N 3.3Å; N147-D149 PolarHBondContact O-N 3.35Å; D149-N152 PolarHBondContact O-N 3.16Å; D149-K153 WeakPolarHBondContact O-CG 3.45Å; D149-K153 PolarHBondContact O-N 3.02Å; D149-K153 VanDerWaalsContact O-N 3.16Å |
| 150 | S | 79.6 | Confident | 83.7 | Confident | 49 Ų | 49 | 60 Ų | 60 | 34% | 0.343 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.1 | -34.8 | 176.7 | -60.2 | 0 | 0 | 0 | 0 | 112 | N147 N148 H211 | N147-S150 WeakPolarHBondContact O-CB 3.44Å; N147-S150 PolarHBondContact O-N 2.91Å; N147-S150 VanDerWaalsContact O-N 3.13Å; N148-S150 PolarHBondContact O-N 3.05Å; S150-H211 PolarHBondContact O-NE2 3.48Å |
| 151 | L | 84.5 | Confident | 84 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 171.1 | -63.3 | 179.1 | 0 | 0 | 0 | 112 | I52 I55 R56 Y59 N147 N148 L154 V215 | I52-L151 HydrophobicContact CG2-CD2 4.2Å; I55-L151 HydrophobicContact CG2-CD1 4.24Å; R56-L151 HydrophobicContact CB-CD1 4.32Å; R56-L151 PolarHBondContact NH2-O 2.96Å; R56-L151 VanDerWaalsContact NH2-O 3.17Å; Y59-L151 HydrophobicContact CD2-CD1 3.73Å; Y59-L151 HydrophobicContact CE2-CD1 3.94Å; N147-L151 PolarHBondContact O-N 3.09Å; N148-L151 CarbonylContact O-C 3.59Å; N148-L151 WeakPolarHBondContact O-CA 3.37Å; N148-L151 WeakPolarHBondContact O-CB 3.4Å; N148-L151 PolarHBondContact O-N 3.26Å; L151-L154 HydrophobicContact CD2-CD1 4.33Å; L151-L154 WeakPolarHBondContact O-CB 3.48Å; L151-L154 PolarHBondContact O-N 3.31Å; L151-V215 HydrophobicContact CD2-CG1 3.26Å; L151-V215 HydrophobicContact CD2-CG2 4.46Å |
| 152 | N | 85.1 | Confident | 84.4 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.2 | -34.4 | -179.1 | -68.3 | -20.6 | 0 | 0 | 0 | 111.8 | R56 N148 D149 L154 Y155 | R56-N152 PolarHBondContact NH2-OD1 3.47Å; N148-N152 PolarHBondContact O-N 2.87Å; N148-N152 PolarHBondContact O-ND2 3.13Å; N148-N152 PolarHBondContact O-OD1 3.1Å; D149-N152 PolarHBondContact O-N 3.16Å; N152-L154 PolarHBondContact O-N 3.34Å; N152-L154 VanDerWaalsContact O-N 3.12Å; N152-Y155 WeakPolarHBondContact O-CB 3.41Å; N152-Y155 WeakPolarHBondContact O-CD2 3.29Å; N152-Y155 PolarHBondContact O-N 3.03Å |
| 153 | K | 85.5 | Confident | 85 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.9 | -24.2 | 171.5 | -71.1 | 174.8 | -176.3 | 178 | 0 | 113.8 | D149 Y155 L157 | D149-K153 WeakPolarHBondContact O-CG 3.45Å; D149-K153 PolarHBondContact O-N 3.02Å; D149-K153 VanDerWaalsContact O-N 3.16Å; K153-Y155 VanDerWaalsContact C-N 3.27Å; K153-Y155 PolarHBondContact O-N 3.2Å; K153-L157 WeakPolarHBondContact O-CG 3.32Å; K153-L157 PolarHBondContact O-N 3.24Å |
| 154 | L | 87 | Confident | 85.4 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -29.2 | 175.6 | -74.3 | 165.6 | 0 | 0 | 0 | 112.5 | I52 L151 N152 L157 R158 Y208 H211 L212 V215 | I52-L154 HydrophobicContact CD1-CD1 3.65Å; I52-L154 HydrophobicContact CG1-CD1 4.27Å; I52-L154 HydrophobicContact CG2-CD1 4.22Å; L151-L154 HydrophobicContact CD2-CD1 4.33Å; L151-L154 WeakPolarHBondContact O-CB 3.48Å; L151-L154 PolarHBondContact O-N 3.31Å; N152-L154 PolarHBondContact O-N 3.34Å; N152-L154 VanDerWaalsContact O-N 3.12Å; L154-L157 PolarHBondContact O-N 3.37Å; L154-R158 WeakPolarHBondContact O-CB 3.47Å; L154-R158 PolarHBondContact O-N 3.06Å; L154-Y208 HydrophobicContact CD2-CD2 4.26Å; L154-Y208 HydrophobicContact CD2-CE2 3.87Å; L154-H211 HydrophobicContact CD2-CB 4.34Å; L154-H211 VanDerWaalsContact CD2-CD2 3.46Å; L154-H211 WeakPolarHBondContact CD2-CD2 3.12Å; L154-L212 HydrophobicContact CD1-CD2 4.36Å; L154-L212 HydrophobicContact CD2-CD2 3.64Å; L154-L212 HydrophobicContact CD2-CG 3.95Å; L154-V215 HydrophobicContact CD1-CB 4.28Å; L154-V215 HydrophobicContact CD1-CG1 4.09Å; L154-V215 HydrophobicContact CD1-CG2 3.99Å; L154-V215 HydrophobicContact CG-CG2 4.41Å |
| 155 | Y | 86.4 | Confident | 85.7 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 38% | 0.376 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 179.8 | -73.2 | -68.3 | 0 | 0 | 0 | 111.7 | R56 N152 K153 T159 | R56-Y155 VanDerWaalsContact CZ-OH 3.28Å; R56-Y155 VanDerWaalsContact NH1-CZ 3.32Å; R56-Y155 PolarHBondContact NH1-OH 3.3Å; N152-Y155 WeakPolarHBondContact O-CB 3.41Å; N152-Y155 WeakPolarHBondContact O-CD2 3.29Å; N152-Y155 PolarHBondContact O-N 3.03Å; K153-Y155 VanDerWaalsContact C-N 3.27Å; K153-Y155 PolarHBondContact O-N 3.2Å; Y155-T159 WeakPolarHBondContact O-CB 3.4Å; Y155-T159 PolarHBondContact O-N 2.91Å; Y155-T159 PolarHBondContact O-OG1 2.86Å |
| 156 | D | 87.2 | Confident | 86.2 | Confident | 111 Ų | 111 | 61.4 Ų | 61.4 | 59% | 0.594 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.6 | -45.2 | 178.6 | -65.8 | -32.1 | 0 | 0 | 0 | 111.3 | R158 T159 N160 | D156-R158 PolarHBondContact O-N 2.81Å; D156-T159 PolarHBondContact O-N 3.02Å; D156-N160 WeakPolarHBondContact O-CB 3.45Å; D156-N160 VanDerWaalsContact O-CG 3.24Å; D156-N160 PolarHBondContact O-N 3.18Å; D156-N160 PolarHBondContact O-ND2 3.2Å |
| 157 | L | 89.8 | Confident | 86.9 | Confident | 52 Ų | 52 | 58.9 Ų | 58.9 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 178.1 | -70 | 174.2 | 0 | 0 | 0 | 112 | K153 L154 N160 F161 Y208 H211 | K153-L157 WeakPolarHBondContact O-CG 3.32Å; K153-L157 PolarHBondContact O-N 3.24Å; L154-L157 PolarHBondContact O-N 3.37Å; L157-N160 PolarHBondContact O-N 3.19Å; L157-F161 WeakPolarHBondContact O-CB 3.49Å; L157-F161 PolarHBondContact O-N 3.02Å; L157-Y208 HydrophobicContact CB-CD2 3.86Å; L157-H211 HydrophobicContact CD1-CB 3.41Å; L157-H211 VanDerWaalsContact CD1-CB 3.41Å; L157-H211 VanDerWaalsContact CD1-CG 3.5Å |
| 158 | R | 91 | Very high | 87.5 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 11% | 0.106 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.8 | -176 | -177.9 | -163.8 | -84.7 | -8.4 | 111.6 | E49 L154 D156 N160 F161 Q162 Y208 L344 | E49-R158 IonicContact OE1-CZ 3.31Å; E49-R158 IonicContact OE1-NE 2.74Å; E49-R158 PolarHBondContact OE1-NE 3.26Å; E49-R158 IonicContact OE1-NH2 3.9Å; E49-R158 PolarHBondContact OE1-NH2 2.89Å; E49-R158 IonicContact OE2-CZ 2.89Å; E49-R158 IonicContact OE2-NE 3.44Å; E49-R158 IonicContact OE2-NH2 3.67Å; E49-R158 PolarHBondContact OE2-NH2 3.31Å; L154-R158 WeakPolarHBondContact O-CB 3.47Å; L154-R158 PolarHBondContact O-N 3.06Å; D156-R158 PolarHBondContact O-N 2.81Å; R158-N160 VanDerWaalsContact C-N 3.33Å; R158-N160 PolarHBondContact O-N 2.98Å; R158-F161 WeakPolarHBondContact O-CB 3.46Å; R158-F161 PolarHBondContact O-N 3.12Å; R158-Q162 WeakPolarHBondContact O-CB 3.39Å; R158-Q162 PolarHBondContact O-N 2.62Å; R158-Y208 HydrophobicContact CB-CE1 4.47Å; R158-Y208 HydrophobicContact CB-CE2 3.8Å; R158-Y208 HydrophobicContact CG-CE1 4.37Å; R158-Y208 HydrophobicContact CG-CE2 4.43Å; R158-L344 PolarHBondContact NH2-O 3.25Å |
| 159 | T | 90.1 | Very high | 87.8 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 178.7 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | Y155 D156 Q162 R163 | Y155-T159 WeakPolarHBondContact O-CB 3.4Å; Y155-T159 PolarHBondContact O-N 2.91Å; Y155-T159 PolarHBondContact O-OG1 2.86Å; D156-T159 PolarHBondContact O-N 3.02Å; T159-Q162 PolarHBondContact O-N 3.24Å; T159-R163 VanDerWaalsContact CG2-CZ 3.48Å; T159-R163 VanDerWaalsContact O-CG 3.31Å; T159-R163 WeakPolarHBondContact O-CG 3.49Å; T159-R163 PolarHBondContact O-N 2.83Å |
| 160 | N | 90.5 | Very high | 88.2 | Confident | 74 Ų | 74 | 57 Ų | 57 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.7 | -69.9 | -26.2 | 0 | 0 | 0 | 111.8 | D156 L157 R158 Q162 R163 A164 T204 | D156-N160 WeakPolarHBondContact O-CB 3.45Å; D156-N160 VanDerWaalsContact O-CG 3.24Å; D156-N160 PolarHBondContact O-N 3.18Å; D156-N160 PolarHBondContact O-ND2 3.2Å; L157-N160 PolarHBondContact O-N 3.19Å; R158-N160 VanDerWaalsContact C-N 3.33Å; R158-N160 PolarHBondContact O-N 2.98Å; N160-Q162 VanDerWaalsContact C-N 3.35Å; N160-Q162 PolarHBondContact O-N 3.18Å; N160-R163 PolarHBondContact O-N 3.38Å; N160-A164 WeakPolarHBondContact O-CB 3.49Å; N160-A164 PolarHBondContact O-N 3.32Å; N160-T204 VanDerWaalsContact C-CG2 3.48Å; N160-T204 HydrophobicContact CB-CG2 3.93Å |
| 161 | F | 89.3 | Confident | 88.8 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 174.2 | 164 | -101.5 | 0 | 0 | 0 | 111.7 | L45 L157 R158 A164 Y165 Y201 T204 T205 Y208 | L45-F161 HydrophobicContact CD2-CE1 3.67Å; L45-F161 HydrophobicContact CD2-CZ 3.96Å; L157-F161 WeakPolarHBondContact O-CB 3.49Å; L157-F161 PolarHBondContact O-N 3.02Å; R158-F161 WeakPolarHBondContact O-CB 3.46Å; R158-F161 PolarHBondContact O-N 3.12Å; F161-A164 PolarHBondContact O-N 3.2Å; F161-Y165 WeakPolarHBondContact O-CB 3.39Å; F161-Y165 PolarHBondContact O-N 3.3Å; F161-Y201 HydrophobicContact CD2-CE2 4.1Å; F161-Y201 AromaticContact CE2-CE2 3.62Å; F161-Y201 HydrophobicContact CE2-CE2 3.62Å; F161-Y201 HydrophobicContact CZ-CE2 4.35Å; F161-T204 HydrophobicContact CB-CG2 4.2Å; F161-T205 HydrophobicContact CD2-CG2 4.37Å; F161-T205 WeakPolarHBondContact CD2-OG1 3.4Å; F161-T205 HydrophobicContact CE2-CG2 3.96Å; F161-T205 VanDerWaalsContact CE2-OG1 3.27Å; F161-T205 WeakPolarHBondContact CE2-OG1 3.42Å; F161-Y208 HydrophobicContact CB-CD1 3.9Å; F161-Y208 HydrophobicContact CB-CG 4.2Å; F161-Y208 AromaticContact CD1-CD1 3.81Å; F161-Y208 HydrophobicContact CD1-CD1 3.81Å; F161-Y208 AromaticContact CD1-CE1 3.93Å; F161-Y208 HydrophobicContact CD1-CE1 3.93Å; F161-Y208 HydrophobicContact CD2-CD1 4.18Å; F161-Y208 HydrophobicContact CE1-CD1 4.4Å; F161-Y208 HydrophobicContact CE1-CE1 4.38Å; F161-Y208 AromaticContact CG-CD1 3.69Å; F161-Y208 HydrophobicContact CG-CD1 3.69Å; F161-Y208 HydrophobicContact CG-CE1 4.28Å; F161-Y208 HydrophobicContact CG-CG 4.43Å |
| 162 | Q | 90.3 | Very high | 89 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 179.3 | -173.2 | 62.2 | 24.9 | 0 | 0 | 112.1 | R158 T159 N160 Y165 E166 | R158-Q162 WeakPolarHBondContact O-CB 3.39Å; R158-Q162 PolarHBondContact O-N 2.62Å; T159-Q162 PolarHBondContact O-N 3.24Å; N160-Q162 VanDerWaalsContact C-N 3.35Å; N160-Q162 PolarHBondContact O-N 3.18Å; Q162-Y165 WeakPolarHBondContact O-CB 3.3Å; Q162-Y165 PolarHBondContact O-N 3.28Å; Q162-E166 PolarHBondContact NE2-OE1 3.39Å; Q162-E166 WeakPolarHBondContact O-CG 3.2Å; Q162-E166 PolarHBondContact O-N 3.17Å |
| 163 | R | 90.6 | Very high | 89.2 | Confident | 155 Ų | 155 | 54.7 Ų | 54.7 | 59% | 0.585 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 176 | -73 | 175.1 | -172.9 | 156.3 | 0.7 | 112.3 | T159 N160 Y165 E166 H167 | T159-R163 VanDerWaalsContact CG2-CZ 3.48Å; T159-R163 VanDerWaalsContact O-CG 3.31Å; T159-R163 WeakPolarHBondContact O-CG 3.49Å; T159-R163 PolarHBondContact O-N 2.83Å; N160-R163 PolarHBondContact O-N 3.38Å; R163-Y165 PolarHBondContact O-N 3.48Å; R163-E166 PolarHBondContact O-N 2.91Å; R163-H167 VanDerWaalsContact O-CB 3.32Å; R163-H167 WeakPolarHBondContact O-CB 3.39Å; R163-H167 PolarHBondContact O-N 3.23Å |
| 164 | A | 89.2 | Confident | 89.3 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N160 F161 L168 I200 Y201 T204 | N160-A164 WeakPolarHBondContact O-CB 3.49Å; N160-A164 PolarHBondContact O-N 3.32Å; F161-A164 PolarHBondContact O-N 3.2Å; A164-L168 WeakPolarHBondContact O-CB 3.35Å; A164-L168 PolarHBondContact O-N 3.41Å; A164-I200 HydrophobicContact CB-CG2 4.22Å; A164-Y201 HydrophobicContact CB-CD2 4.41Å; A164-T204 HydrophobicContact CB-CG2 4.28Å |
| 165 | Y | 87.4 | Confident | 89.4 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -51.6 | 174.6 | 173 | -103.2 | 0 | 0 | 0 | 113 | D37 F161 Q162 R163 H167 L168 D169 Y201 R340 | D37-Y165 VanDerWaalsContact OD2-CE2 3.29Å; D37-Y165 WeakPolarHBondContact OD2-CE2 3.45Å; F161-Y165 WeakPolarHBondContact O-CB 3.39Å; F161-Y165 PolarHBondContact O-N 3.3Å; Q162-Y165 WeakPolarHBondContact O-CB 3.3Å; Q162-Y165 PolarHBondContact O-N 3.28Å; R163-Y165 PolarHBondContact O-N 3.48Å; Y165-H167 PolarHBondContact O-N 2.92Å; Y165-L168 WeakPolarHBondContact O-CB 3.44Å; Y165-L168 PolarHBondContact O-N 3.35Å; Y165-L168 VanDerWaalsContact O-N 3.08Å; Y165-D169 HydrophobicContact CE1-CB 4.42Å; Y165-D169 HydrophobicContact CE2-CB 4.33Å; Y165-D169 PolarHBondContact O-N 3.47Å; Y165-D169 PolarHBondContact OH-OD1 3.01Å; Y165-Y201 HydrophobicContact CD2-CE2 4.02Å; Y165-Y201 HydrophobicContact CG-CE2 4.33Å; Y165-R340 VanDerWaalsContact CE1-NH2 3.29Å; Y165-R340 WeakPolarHBondContact OH-CD 2.88Å; Y165-R340 PolarHBondContact OH-NE 3.42Å |
| 166 | E | 90.4 | Very high | 89.5 | Confident | 110 Ų | 110 | 50.7 Ų | 50.7 | 51% | 0.514 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.5 | -36.8 | 179.6 | -73.8 | 170.3 | -169.8 | 0 | 0 | 111.8 | Q162 R163 D169 S170 | Q162-E166 PolarHBondContact NE2-OE1 3.39Å; Q162-E166 WeakPolarHBondContact O-CG 3.2Å; Q162-E166 PolarHBondContact O-N 3.17Å; R163-E166 PolarHBondContact O-N 2.91Å; E166-D169 PolarHBondContact O-N 3.07Å; E166-S170 VanDerWaalsContact O-CB 3.3Å; E166-S170 WeakPolarHBondContact O-CB 3.39Å; E166-S170 PolarHBondContact O-N 3.25Å |
| 167 | H | 91.3 | Very high | 89.4 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -50.1 | 171.8 | -178.4 | 66.5 | 0 | 0 | 0 | 111.6 | R163 Y165 D169 S170 V171 | R163-H167 VanDerWaalsContact O-CB 3.32Å; R163-H167 WeakPolarHBondContact O-CB 3.39Å; R163-H167 PolarHBondContact O-N 3.23Å; Y165-H167 PolarHBondContact O-N 2.92Å; H167-D169 PolarHBondContact O-N 3.31Å; H167-S170 PolarHBondContact O-N 3.47Å; H167-V171 VanDerWaalsContact O-CG2 3.31Å; H167-V171 WeakPolarHBondContact O-CG2 3.37Å; H167-V171 PolarHBondContact O-N 3.48Å |
| 168 | L | 89.1 | Confident | 89.1 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 176.5 | 174.8 | 61.5 | 0 | 0 | 0 | 112 | A164 Y165 S170 V171 V172 A197 Q198 Y201 | A164-L168 WeakPolarHBondContact O-CB 3.35Å; A164-L168 PolarHBondContact O-N 3.41Å; Y165-L168 WeakPolarHBondContact O-CB 3.44Å; Y165-L168 PolarHBondContact O-N 3.35Å; Y165-L168 VanDerWaalsContact O-N 3.08Å; L168-S170 PolarHBondContact O-N 3.49Å; L168-V171 PolarHBondContact O-N 2.99Å; L168-V172 HydrophobicContact CD1-CG2 3.82Å; L168-V172 HydrophobicContact CG-CG2 4.4Å; L168-V172 WeakPolarHBondContact O-CB 3.34Å; L168-V172 VanDerWaalsContact O-CG2 3.26Å; L168-V172 WeakPolarHBondContact O-CG2 2.91Å; L168-V172 PolarHBondContact O-N 3.1Å; L168-A197 HydrophobicContact CB-CB 4.43Å; L168-A197 HydrophobicContact CD1-CB 3.89Å; L168-Q198 HydrophobicContact CD1-CB 4.47Å; L168-Q198 HydrophobicContact CD1-CG 3.67Å; L168-Y201 HydrophobicContact CD2-CD1 3.68Å; L168-Y201 HydrophobicContact CD2-CE1 4.33Å; L168-Y201 HydrophobicContact CD2-CG 3.78Å |
| 169 | D | 88.1 | Confident | 88.7 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 179.8 | -161.7 | 60.9 | 0 | 0 | 0 | 111.8 | Y165 E166 H167 V172 N173 R325 | Y165-D169 HydrophobicContact CE1-CB 4.42Å; Y165-D169 HydrophobicContact CE2-CB 4.33Å; Y165-D169 PolarHBondContact O-N 3.47Å; Y165-D169 PolarHBondContact OH-OD1 3.01Å; E166-D169 PolarHBondContact O-N 3.07Å; H167-D169 PolarHBondContact O-N 3.31Å; D169-V172 PolarHBondContact O-N 2.96Å; D169-N173 WeakPolarHBondContact O-CB 3.46Å; D169-N173 VanDerWaalsContact O-CG 3.27Å; D169-N173 PolarHBondContact O-N 3.22Å; D169-N173 PolarHBondContact O-ND2 3.41Å; D169-N173 PolarHBondContact OD2-ND2 2.91Å; D169-R325 IonicContact OD1-CZ 3.23Å; D169-R325 IonicContact OD1-NH1 3.02Å; D169-R325 PolarHBondContact OD1-NH1 3.42Å |
| 170 | S | 90.6 | Very high | 88.1 | Confident | 56 Ų | 56 | 46 Ų | 46 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 175.3 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | E166 H167 L168 N173 R174 | E166-S170 VanDerWaalsContact O-CB 3.3Å; E166-S170 WeakPolarHBondContact O-CB 3.39Å; E166-S170 PolarHBondContact O-N 3.25Å; H167-S170 PolarHBondContact O-N 3.47Å; L168-S170 PolarHBondContact O-N 3.49Å; S170-N173 PolarHBondContact O-N 2.83Å; S170-R174 WeakPolarHBondContact O-CB 3.43Å; S170-R174 PolarHBondContact O-N 3.49Å |
| 171 | V | 90.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | H167 L168 R174 A175 Q193 V194 A197 | H167-V171 VanDerWaalsContact O-CG2 3.31Å; H167-V171 WeakPolarHBondContact O-CG2 3.37Å; H167-V171 PolarHBondContact O-N 3.48Å; L168-V171 PolarHBondContact O-N 2.99Å; V171-R174 WeakPolarHBondContact O-CB 3.46Å; V171-R174 PolarHBondContact O-N 3.23Å; V171-A175 WeakPolarHBondContact O-CB 3.5Å; V171-A175 PolarHBondContact O-N 3.06Å; V171-Q193 HydrophobicContact CG1-CB 3.89Å; V171-V194 HydrophobicContact CG1-CG2 3.88Å; V171-A197 HydrophobicContact CB-CB 4.28Å; V171-A197 HydrophobicContact CG1-CB 4.34Å; V171-A197 HydrophobicContact CG2-CB 4.37Å |
| 172 | V | 89.1 | Confident | 87.2 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L168 D169 R174 A175 A176 V194 F312 | L168-V172 HydrophobicContact CD1-CG2 3.82Å; L168-V172 HydrophobicContact CG-CG2 4.4Å; L168-V172 WeakPolarHBondContact O-CB 3.34Å; L168-V172 VanDerWaalsContact O-CG2 3.26Å; L168-V172 WeakPolarHBondContact O-CG2 2.91Å; L168-V172 PolarHBondContact O-N 3.1Å; D169-V172 PolarHBondContact O-N 2.96Å; V172-R174 VanDerWaalsContact C-N 3.3Å; V172-R174 PolarHBondContact O-N 3.23Å; V172-A175 PolarHBondContact O-N 3.42Å; V172-A176 WeakPolarHBondContact O-CB 3.4Å; V172-A176 PolarHBondContact O-N 3.01Å; V172-V194 HydrophobicContact CG2-CG1 4.07Å; V172-V194 HydrophobicContact CG2-CG2 4.39Å; V172-F312 HydrophobicContact CG1-CE2 4.11Å; V172-F312 HydrophobicContact CG1-CZ 4.04Å |
| 173 | N | 89 | Confident | 87 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 33% | 0.326 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 175.7 | -77.6 | -52.9 | 0 | 0 | 0 | 112 | D169 S170 S177 F312 | D169-N173 WeakPolarHBondContact O-CB 3.46Å; D169-N173 VanDerWaalsContact O-CG 3.27Å; D169-N173 PolarHBondContact O-N 3.22Å; D169-N173 PolarHBondContact O-ND2 3.41Å; D169-N173 PolarHBondContact OD2-ND2 2.91Å; S170-N173 PolarHBondContact O-N 2.83Å; N173-S177 PolarHBondContact O-N 3.44Å; N173-S177 PolarHBondContact O-OG 3.22Å; N173-F312 WeakPolarHBondContact OD1-CE1 3.48Å |
| 174 | R | 88.3 | Confident | 86.7 | Confident | 124 Ų | 124 | 51.6 Ų | 51.6 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -48 | 176.7 | -167.2 | -174.5 | -56.6 | 158.2 | 4.6 | 111.4 | S170 V171 V172 A176 S177 A178 F190 | S170-R174 WeakPolarHBondContact O-CB 3.43Å; S170-R174 PolarHBondContact O-N 3.49Å; V171-R174 WeakPolarHBondContact O-CB 3.46Å; V171-R174 PolarHBondContact O-N 3.23Å; V172-R174 VanDerWaalsContact C-N 3.3Å; V172-R174 PolarHBondContact O-N 3.23Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 3.45Å; R174-S177 PolarHBondContact O-N 3.36Å; R174-S177 PolarHBondContact O-OG 3.27Å; R174-A178 PolarHBondContact O-N 3.2Å; R174-F190 HydrophobicContact CG-CE1 4.03Å |
| 175 | A | 89 | Confident | 86.5 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V171 V172 S177 A178 F190 V194 | V171-A175 WeakPolarHBondContact O-CB 3.5Å; V171-A175 PolarHBondContact O-N 3.06Å; V172-A175 PolarHBondContact O-N 3.42Å; A175-S177 VanDerWaalsContact C-N 3.25Å; A175-S177 PolarHBondContact O-N 2.94Å; A175-A178 VanDerWaalsContact O-CB 3.3Å; A175-A178 WeakPolarHBondContact O-CB 3.31Å; A175-A178 PolarHBondContact O-N 3.5Å; A175-A178 VanDerWaalsContact O-N 3.17Å; A175-F190 HydrophobicContact CB-CB 4.08Å; A175-F190 HydrophobicContact CB-CD1 4.48Å; A175-V194 HydrophobicContact CB-CG2 3.55Å |
| 176 | A | 88.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.6 | -21.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V172 R174 F312 R436 Q453 | V172-A176 WeakPolarHBondContact O-CB 3.4Å; V172-A176 PolarHBondContact O-N 3.01Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 3.45Å; A176-F312 HydrophobicContact CB-CD2 4.02Å; A176-F312 HydrophobicContact CB-CE1 4.26Å; A176-F312 HydrophobicContact CB-CE2 3.46Å; A176-F312 VanDerWaalsContact CB-CE2 3.46Å; A176-F312 HydrophobicContact CB-CZ 3.6Å; A176-R436 WeakPolarHBondContact O-CD 3.43Å; A176-Q453 PolarHBondContact O-NE2 2.76Å; A176-Q453 PolarHBondContact O-OE1 3.4Å |
| 177 | S | 86.6 | Confident | 86.3 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.2 | 176.2 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | N173 R174 A175 | N173-S177 PolarHBondContact O-N 3.44Å; N173-S177 PolarHBondContact O-OG 3.22Å; R174-S177 PolarHBondContact O-N 3.36Å; R174-S177 PolarHBondContact O-OG 3.27Å; A175-S177 VanDerWaalsContact C-N 3.25Å; A175-S177 PolarHBondContact O-N 2.94Å |
| 178 | A | 83.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -67.6 | 133.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R174 A175 L187 F190 | R174-A178 PolarHBondContact O-N 3.2Å; A175-A178 VanDerWaalsContact O-CB 3.3Å; A175-A178 WeakPolarHBondContact O-CB 3.31Å; A175-A178 PolarHBondContact O-N 3.5Å; A175-A178 VanDerWaalsContact O-N 3.17Å; A178-L187 HydrophobicContact CB-CD2 4.49Å; A178-F190 HydrophobicContact CB-CD2 3.85Å; A178-F190 HydrophobicContact CB-CE2 3.69Å; A178-F190 HydrophobicContact CB-CZ 4.28Å |
| 179 | N | 81.1 | Confident | 86.3 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | trans | -68.2 | 130.7 | 178.8 | -167.3 | -48.6 | 0 | 0 | 0 | 110.4 | T181 R182 D435 | N179-T181 VanDerWaalsContact CG-OG1 3.27Å; N179-T181 PolarHBondContact O-N 2.91Å; N179-T181 VanDerWaalsContact O-N 3.09Å; N179-T181 WeakPolarHBondContact OD1-CB 3.47Å; N179-T181 PolarHBondContact OD1-N 3.44Å; N179-T181 PolarHBondContact OD1-OG1 2.98Å; N179-R182 PolarHBondContact O-N 2.93Å; N179-D435 WeakPolarHBondContact CA-O 3.46Å; N179-D435 PolarHBondContact ND2-OD1 3.05Å | ||
| 180 | P | 78.8 | Confident | 86.4 | Confident | 42 Ų | 42 | 62 Ų | 62 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21.5 | 176.2 | -25.1 | 32.3 | 0 | 0 | 0 | 115.1 | R182 D435 R437 | P180-R182 VanDerWaalsContact C-N 3.31Å; P180-R182 PolarHBondContact O-N 2.77Å; P180-D435 VanDerWaalsContact CD-C 3.4Å; P180-D435 WeakPolarHBondContact CD-O 3.49Å; P180-R437 HydrophobicContact CB-CG 4.18Å; P180-R437 HydrophobicContact CG-CG 3.95Å |
| 181 | T | 78.7 | Confident | 86.2 | Confident | 124 Ų | 124 | 62 Ų | 62 | 76% | 0.761 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.4 | -178.5 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | N179 | N179-T181 VanDerWaalsContact CG-OG1 3.27Å; N179-T181 PolarHBondContact O-N 2.91Å; N179-T181 VanDerWaalsContact O-N 3.09Å; N179-T181 WeakPolarHBondContact OD1-CB 3.47Å; N179-T181 PolarHBondContact OD1-N 3.44Å; N179-T181 PolarHBondContact OD1-OG1 2.98Å |
| 182 | R | 81.5 | Confident | 86.2 | Confident | 126 Ų | 126 | 66.8 Ų | 66.8 | 48% | 0.475 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -64.4 | 162.3 | 173.9 | -73.2 | -170.2 | 177.4 | -156.5 | 1 | 111.7 | N179 P180 D186 L187 | N179-R182 PolarHBondContact O-N 2.93Å; P180-R182 VanDerWaalsContact C-N 3.31Å; P180-R182 PolarHBondContact O-N 2.77Å; R182-D186 HydrophobicContact CB-CB 4.34Å; R182-L187 HydrophobicContact CB-CD2 3.98Å; R182-L187 HydrophobicContact CB-CG 4.29Å |
| 183 | S | 85.4 | Confident | 86.4 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | trans | -58.8 | 144.3 | 178.6 | 79.4 | 0 | 0 | 0 | 0 | 110.5 | M185 D186 L187 | S183-M185 PolarHBondContact O-N 2.94Å; S183-M185 VanDerWaalsContact O-N 3.13Å; S183-D186 PolarHBondContact O-N 3.38Å; S183-D186 PolarHBondContact OG-N 3.45Å; S183-D186 PolarHBondContact OG-OD2 3.23Å; S183-L187 PolarHBondContact O-N 3.29Å; S183-L187 VanDerWaalsContact O-N 3.14Å | ||
| 184 | P | 84.4 | Confident | 86.4 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -54.8 | -32.5 | 177.5 | -27.7 | 35.1 | 0 | 0 | 0 | 113.2 | L187 Q188 | P184-L187 PolarHBondContact O-N 3.32Å; P184-Q188 WeakPolarHBondContact O-CG 3.26Å; P184-Q188 PolarHBondContact O-N 3.42Å |
| 185 | M | 85.9 | Confident | 86.3 | Confident | 150 Ų | 150 | 67 Ų | 67 | 74% | 0.739 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 177 | -171.7 | 176.5 | -76.9 | 0 | 0 | 112.1 | S183 L187 Q188 L189 | S183-M185 PolarHBondContact O-N 2.94Å; S183-M185 VanDerWaalsContact O-N 3.13Å; M185-L187 VanDerWaalsContact C-N 3.31Å; M185-L187 PolarHBondContact O-N 2.94Å; M185-Q188 PolarHBondContact O-N 2.9Å; M185-L189 PolarHBondContact O-N 3.4Å |
| 186 | D | 87.1 | Confident | 86.4 | Confident | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.3 | -64 | -44 | 0 | 0 | 0 | 111.8 | R182 S183 L189 F190 | R182-D186 HydrophobicContact CB-CB 4.34Å; S183-D186 PolarHBondContact O-N 3.38Å; S183-D186 PolarHBondContact OG-N 3.45Å; S183-D186 PolarHBondContact OG-OD2 3.23Å; D186-L189 WeakPolarHBondContact O-CB 3.36Å; D186-L189 PolarHBondContact O-N 3.1Å; D186-F190 WeakPolarHBondContact O-CD2 3.3Å; D186-F190 PolarHBondContact O-N 3Å; D186-F190 VanDerWaalsContact O-N 3.14Å |
| 187 | L | 86.8 | Confident | 86.4 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 12% | 0.12 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 178.3 | -65.1 | -173.6 | 0 | 0 | 0 | 111.7 | A178 R182 S183 P184 M185 L189 F190 D191 | A178-L187 HydrophobicContact CB-CD2 4.49Å; R182-L187 HydrophobicContact CB-CD2 3.98Å; R182-L187 HydrophobicContact CB-CG 4.29Å; S183-L187 PolarHBondContact O-N 3.29Å; S183-L187 VanDerWaalsContact O-N 3.14Å; P184-L187 PolarHBondContact O-N 3.32Å; M185-L187 VanDerWaalsContact C-N 3.31Å; M185-L187 PolarHBondContact O-N 2.94Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.27Å; L187-F190 PolarHBondContact O-N 2.92Å; L187-D191 VanDerWaalsContact O-CG 3.23Å; L187-D191 PolarHBondContact O-N 2.89Å; L187-D191 VanDerWaalsContact O-N 3.09Å |
| 188 | Q | 88.7 | Confident | 86.5 | Confident | 123 Ų | 123 | 71.8 Ų | 71.8 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.5 | -36.8 | 172.7 | -75.8 | 177.6 | -7.1 | 0 | 0 | 112.2 | P184 M185 D191 N192 | P184-Q188 WeakPolarHBondContact O-CG 3.26Å; P184-Q188 PolarHBondContact O-N 3.42Å; M185-Q188 PolarHBondContact O-N 2.9Å; Q188-D191 PolarHBondContact O-N 3.32Å; Q188-N192 WeakPolarHBondContact O-CB 3.4Å; Q188-N192 VanDerWaalsContact O-CG 3.25Å; Q188-N192 PolarHBondContact O-N 3.29Å; Q188-N192 PolarHBondContact O-ND2 3.14Å |
| 189 | L | 91.1 | Very high | 86.6 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 47% | 0.466 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.1 | -177.2 | 135.2 | 0 | 0 | 0 | 112 | M185 D186 L187 N192 Q193 | M185-L189 PolarHBondContact O-N 3.4Å; D186-L189 WeakPolarHBondContact O-CB 3.36Å; D186-L189 PolarHBondContact O-N 3.1Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.27Å; L189-N192 PolarHBondContact O-N 3.42Å; L189-Q193 VanDerWaalsContact O-CG 3.29Å; L189-Q193 WeakPolarHBondContact O-CG 3.4Å; L189-Q193 PolarHBondContact O-N 2.99Å |
| 190 | F | 89.3 | Confident | 86.9 | Confident | 20 Ų | 20 | 76.3 Ų | 76.3 | 9% | 0.088 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 172.4 | -74.2 | -60.4 | 0 | 0 | 0 | 112.3 | R174 A175 A178 D186 L187 N192 Q193 V194 | R174-F190 HydrophobicContact CG-CE1 4.03Å; A175-F190 HydrophobicContact CB-CB 4.08Å; A175-F190 HydrophobicContact CB-CD1 4.48Å; A178-F190 HydrophobicContact CB-CD2 3.85Å; A178-F190 HydrophobicContact CB-CE2 3.69Å; A178-F190 HydrophobicContact CB-CZ 4.28Å; D186-F190 WeakPolarHBondContact O-CD2 3.3Å; D186-F190 PolarHBondContact O-N 3Å; D186-F190 VanDerWaalsContact O-N 3.14Å; L187-F190 PolarHBondContact O-N 2.92Å; F190-N192 VanDerWaalsContact C-N 3.34Å; F190-N192 PolarHBondContact O-N 2.95Å; F190-Q193 PolarHBondContact O-N 3.47Å; F190-V194 WeakPolarHBondContact O-CG2 3.38Å; F190-V194 PolarHBondContact O-N 3.39Å |
| 191 | D | 88.2 | Confident | 87.3 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 31% | 0.31 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | -178.9 | -60.9 | -17 | 0 | 0 | 0 | 110.8 | L187 Q188 V194 K195 R437 | L187-D191 VanDerWaalsContact O-CG 3.23Å; L187-D191 PolarHBondContact O-N 2.89Å; L187-D191 VanDerWaalsContact O-N 3.09Å; Q188-D191 PolarHBondContact O-N 3.32Å; D191-V194 PolarHBondContact O-N 3.2Å; D191-K195 PolarHBondContact O-N 3.39Å; D191-R437 IonicContact OD1-CZ 3.35Å; D191-R437 IonicContact OD1-NH1 2.73Å; D191-R437 PolarHBondContact OD1-NH1 3.39Å; D191-R437 IonicContact OD1-NH2 3.79Å; D191-R437 PolarHBondContact OD1-NH2 3.37Å; D191-R437 IonicContact OD2-CZ 3.29Å; D191-R437 IonicContact OD2-NH1 3.58Å; D191-R437 IonicContact OD2-NH2 3.77Å; D191-R437 PolarHBondContact OD2-NH2 3.36Å |
| 192 | N | 90.5 | Very high | 87.6 | Confident | 106 Ų | 106 | 71 Ų | 71 | 57% | 0.567 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 173.5 | -72.3 | -19.7 | 0 | 0 | 0 | 112.4 | Q188 L189 F190 V194 K195 E196 | Q188-N192 WeakPolarHBondContact O-CB 3.4Å; Q188-N192 VanDerWaalsContact O-CG 3.25Å; Q188-N192 PolarHBondContact O-N 3.29Å; Q188-N192 PolarHBondContact O-ND2 3.14Å; L189-N192 PolarHBondContact O-N 3.42Å; F190-N192 VanDerWaalsContact C-N 3.34Å; F190-N192 PolarHBondContact O-N 2.95Å; N192-V194 VanDerWaalsContact C-N 3.34Å; N192-V194 PolarHBondContact O-N 3.44Å; N192-K195 PolarHBondContact O-N 3.44Å; N192-E196 WeakPolarHBondContact O-CB 3.48Å; N192-E196 PolarHBondContact O-N 3.09Å |
| 193 | Q | 92.1 | Very high | 87.7 | Confident | 62 Ų | 62 | 72.8 Ų | 72.8 | 29% | 0.29 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.3 | -76 | 177.8 | -9 | 0 | 0 | 112.1 | V171 L189 F190 K195 E196 A197 | V171-Q193 HydrophobicContact CG1-CB 3.89Å; L189-Q193 VanDerWaalsContact O-CG 3.29Å; L189-Q193 WeakPolarHBondContact O-CG 3.4Å; L189-Q193 PolarHBondContact O-N 2.99Å; F190-Q193 PolarHBondContact O-N 3.47Å; Q193-K195 VanDerWaalsContact C-N 3.34Å; Q193-E196 PolarHBondContact O-N 2.9Å; Q193-A197 WeakPolarHBondContact O-CB 3.29Å; Q193-A197 PolarHBondContact O-N 3.1Å |
| 194 | V | 89.1 | Confident | 87.8 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | V171 V172 A175 F190 D191 N192 A197 Q198 I455 | V171-V194 HydrophobicContact CG1-CG2 3.88Å; V172-V194 HydrophobicContact CG2-CG1 4.07Å; V172-V194 HydrophobicContact CG2-CG2 4.39Å; A175-V194 HydrophobicContact CB-CG2 3.55Å; F190-V194 WeakPolarHBondContact O-CG2 3.38Å; F190-V194 PolarHBondContact O-N 3.39Å; D191-V194 PolarHBondContact O-N 3.2Å; N192-V194 VanDerWaalsContact C-N 3.34Å; N192-V194 PolarHBondContact O-N 3.44Å; V194-A197 PolarHBondContact O-N 3.23Å; V194-Q198 HydrophobicContact CG1-CG 4.45Å; V194-Q198 WeakPolarHBondContact O-CB 3.44Å; V194-Q198 VanDerWaalsContact O-CG 3.26Å; V194-Q198 WeakPolarHBondContact O-CG 3.44Å; V194-Q198 PolarHBondContact O-N 3.44Å; V194-I455 HydrophobicContact CG1-CG2 4.42Å |
| 195 | K | 86.9 | Confident | 87.8 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 52% | 0.522 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 178.1 | -173.4 | -178.3 | 175.7 | -173.1 | 0 | 112.1 | D191 N192 Q193 A197 Q198 E199 | D191-K195 PolarHBondContact O-N 3.39Å; N192-K195 PolarHBondContact O-N 3.44Å; Q193-K195 VanDerWaalsContact C-N 3.34Å; K195-A197 PolarHBondContact O-N 2.91Å; K195-Q198 WeakPolarHBondContact O-CB 3.35Å; K195-Q198 PolarHBondContact O-N 3.03Å; K195-E199 WeakPolarHBondContact CE-OE1 3.34Å; K195-E199 WeakPolarHBondContact O-CG 3Å; K195-E199 PolarHBondContact O-N 3.02Å |
| 196 | E | 90.2 | Very high | 87.6 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 176.8 | -176 | -176.8 | 176.3 | 0 | 0 | 111.5 | N192 Q193 Q198 E199 I200 | N192-E196 WeakPolarHBondContact O-CB 3.48Å; N192-E196 PolarHBondContact O-N 3.09Å; Q193-E196 PolarHBondContact O-N 2.9Å; E196-Q198 VanDerWaalsContact C-N 3.28Å; E196-Q198 PolarHBondContact O-N 2.92Å; E196-E199 PolarHBondContact O-N 2.91Å; E196-I200 HydrophobicContact CG-CD1 4.09Å; E196-I200 WeakPolarHBondContact O-CG1 3.47Å; E196-I200 PolarHBondContact O-N 3.46Å |
| 197 | A | 89.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L168 V171 Q193 V194 K195 Y201 | L168-A197 HydrophobicContact CB-CB 4.43Å; L168-A197 HydrophobicContact CD1-CB 3.89Å; V171-A197 HydrophobicContact CB-CB 4.28Å; V171-A197 HydrophobicContact CG1-CB 4.34Å; V171-A197 HydrophobicContact CG2-CB 4.37Å; Q193-A197 WeakPolarHBondContact O-CB 3.29Å; Q193-A197 PolarHBondContact O-N 3.1Å; V194-A197 PolarHBondContact O-N 3.23Å; K195-A197 PolarHBondContact O-N 2.91Å; A197-Y201 WeakPolarHBondContact O-CB 3.44Å; A197-Y201 PolarHBondContact O-N 3.18Å |
| 198 | Q | 87.4 | Confident | 87.6 | Confident | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 174.1 | -75.7 | 173 | -19.5 | 0 | 0 | 111.7 | L168 V194 K195 E196 Y201 Q202 | L168-Q198 HydrophobicContact CD1-CB 4.47Å; L168-Q198 HydrophobicContact CD1-CG 3.67Å; V194-Q198 HydrophobicContact CG1-CG 4.45Å; V194-Q198 WeakPolarHBondContact O-CB 3.44Å; V194-Q198 VanDerWaalsContact O-CG 3.26Å; V194-Q198 WeakPolarHBondContact O-CG 3.44Å; V194-Q198 PolarHBondContact O-N 3.44Å; K195-Q198 WeakPolarHBondContact O-CB 3.35Å; K195-Q198 PolarHBondContact O-N 3.03Å; E196-Q198 VanDerWaalsContact C-N 3.28Å; E196-Q198 PolarHBondContact O-N 2.92Å; Q198-Y201 PolarHBondContact O-N 2.73Å; Q198-Q202 WeakPolarHBondContact O-CB 3.35Å; Q198-Q202 VanDerWaalsContact O-CG 3.27Å; Q198-Q202 WeakPolarHBondContact O-CG 3.49Å; Q198-Q202 PolarHBondContact O-N 3.32Å |
| 199 | E | 86 | Confident | 87.4 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 178.2 | -70.9 | 175.2 | -169.3 | 0 | 0 | 112.1 | K195 E196 R203 | K195-E199 WeakPolarHBondContact CE-OE1 3.34Å; K195-E199 WeakPolarHBondContact O-CG 3Å; K195-E199 PolarHBondContact O-N 3.02Å; E196-E199 PolarHBondContact O-N 2.91Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 PolarHBondContact O-N 2.87Å |
| 200 | I | 87.4 | Confident | 86.9 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 28% | 0.282 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 175.3 | -67.6 | 167.8 | 0 | 0 | 0 | 110.5 | A164 E196 R203 T204 | A164-I200 HydrophobicContact CB-CG2 4.22Å; E196-I200 HydrophobicContact CG-CD1 4.09Å; E196-I200 WeakPolarHBondContact O-CG1 3.47Å; E196-I200 PolarHBondContact O-N 3.46Å; I200-R203 PolarHBondContact O-N 3.38Å; I200-T204 WeakPolarHBondContact O-CB 3.48Å; I200-T204 PolarHBondContact O-N 3.2Å; I200-T204 PolarHBondContact O-OG1 3.07Å |
| 201 | Y | 88 | Confident | 86.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 178.5 | 173.5 | -107.6 | 0 | 0 | 0 | 111.5 | A36 D37 F161 A164 Y165 L168 A197 Q198 R203 T204 T205 | A36-Y201 HydrophobicContact CB-CD1 4.22Å; A36-Y201 HydrophobicContact CB-CE1 3.93Å; A36-Y201 WeakPolarHBondContact O-CE1 3.5Å; A36-Y201 PolarHBondContact O-OH 3.49Å; A36-Y201 VanDerWaalsContact O-OH 3.06Å; D37-Y201 HydrophobicContact CB-CE1 4.03Å; D37-Y201 PolarHBondContact OD1-OH 3.32Å; F161-Y201 HydrophobicContact CD2-CE2 4.1Å; F161-Y201 AromaticContact CE2-CE2 3.62Å; F161-Y201 HydrophobicContact CE2-CE2 3.62Å; F161-Y201 HydrophobicContact CZ-CE2 4.35Å; A164-Y201 HydrophobicContact CB-CD2 4.41Å; Y165-Y201 HydrophobicContact CD2-CE2 4.02Å; Y165-Y201 HydrophobicContact CG-CE2 4.33Å; L168-Y201 HydrophobicContact CD2-CD1 3.68Å; L168-Y201 HydrophobicContact CD2-CE1 4.33Å; L168-Y201 HydrophobicContact CD2-CG 3.78Å; A197-Y201 WeakPolarHBondContact O-CB 3.44Å; A197-Y201 PolarHBondContact O-N 3.18Å; Q198-Y201 PolarHBondContact O-N 2.73Å; Y201-R203 PolarHBondContact O-N 2.99Å; Y201-T204 PolarHBondContact O-N 2.78Å; Y201-T205 WeakPolarHBondContact CE2-OG1 3.35Å; Y201-T205 WeakPolarHBondContact O-CB 3.37Å; Y201-T205 PolarHBondContact O-N 3.16Å; Y201-T205 PolarHBondContact O-OG1 2.92Å |
| 202 | Q | 83.6 | Confident | 86.5 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.7 | -49.2 | 177.4 | -76.3 | 172.9 | -2.1 | 0 | 0 | 112.5 | Q198 T204 T205 I206 | Q198-Q202 WeakPolarHBondContact O-CB 3.35Å; Q198-Q202 VanDerWaalsContact O-CG 3.27Å; Q198-Q202 WeakPolarHBondContact O-CG 3.49Å; Q198-Q202 PolarHBondContact O-N 3.32Å; Q202-T204 VanDerWaalsContact C-N 3.29Å; Q202-T204 PolarHBondContact O-N 3.29Å; Q202-T205 PolarHBondContact O-N 2.66Å; Q202-I206 VanDerWaalsContact O-CG1 3.3Å; Q202-I206 WeakPolarHBondContact O-CG1 3.36Å; Q202-I206 PolarHBondContact O-N 3.12Å |
| 203 | R | 84.4 | Confident | 85.8 | Confident | 164 Ų | 164 | 48.6 Ų | 48.6 | 62% | 0.619 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.2 | -42.3 | 179.6 | -169.8 | -178.6 | -57.4 | 115.1 | 5.7 | 111.8 | E199 I200 Y201 G207 | E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 PolarHBondContact O-N 2.87Å; I200-R203 PolarHBondContact O-N 3.38Å; Y201-R203 PolarHBondContact O-N 2.99Å; R203-G207 PolarHBondContact O-N 3.36Å |
| 204 | T | 87.2 | Confident | 85.1 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 23% | 0.233 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.2 | -41.8 | -179.2 | -48.5 | 0 | 0 | 0 | 0 | 111.5 | N160 F161 A164 I200 Y201 Q202 G207 Y208 | N160-T204 VanDerWaalsContact C-CG2 3.48Å; N160-T204 HydrophobicContact CB-CG2 3.93Å; F161-T204 HydrophobicContact CB-CG2 4.2Å; A164-T204 HydrophobicContact CB-CG2 4.28Å; I200-T204 WeakPolarHBondContact O-CB 3.48Å; I200-T204 PolarHBondContact O-N 3.2Å; I200-T204 PolarHBondContact O-OG1 3.07Å; Y201-T204 PolarHBondContact O-N 2.78Å; Q202-T204 VanDerWaalsContact C-N 3.29Å; Q202-T204 PolarHBondContact O-N 3.29Å; T204-G207 PolarHBondContact O-N 3.41Å; T204-Y208 PolarHBondContact O-N 3.5Å |
| 205 | T | 84.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.4 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | L25 L41 F161 Y201 Q202 G207 Y208 L209 | L25-T205 HydrophobicContact CD1-CG2 3.82Å; L41-T205 HydrophobicContact CD2-CG2 4.46Å; F161-T205 HydrophobicContact CD2-CG2 4.37Å; F161-T205 WeakPolarHBondContact CD2-OG1 3.4Å; F161-T205 HydrophobicContact CE2-CG2 3.96Å; F161-T205 VanDerWaalsContact CE2-OG1 3.27Å; F161-T205 WeakPolarHBondContact CE2-OG1 3.42Å; Y201-T205 WeakPolarHBondContact CE2-OG1 3.35Å; Y201-T205 WeakPolarHBondContact O-CB 3.37Å; Y201-T205 PolarHBondContact O-N 3.16Å; Y201-T205 PolarHBondContact O-OG1 2.92Å; Q202-T205 PolarHBondContact O-N 2.66Å; T205-G207 VanDerWaalsContact C-N 3.33Å; T205-G207 PolarHBondContact O-N 3.04Å; T205-Y208 PolarHBondContact O-N 2.9Å; T205-L209 HydrophobicContact CG2-CD1 3.75Å; T205-L209 HydrophobicContact CG2-CG 4.08Å; T205-L209 WeakPolarHBondContact O-CB 3.36Å; T205-L209 VanDerWaalsContact O-CG 3.3Å; T205-L209 WeakPolarHBondContact O-CG 3.43Å; T205-L209 PolarHBondContact O-N 3.22Å |
| 206 | I | 82.4 | Confident | 83.9 | Confident | 53 Ų | 53 | 45 Ų | 45 | 27% | 0.272 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 176.8 | -69.7 | 166.1 | 0 | 0 | 0 | 110.7 | L25 Q202 Y208 S210 | L25-I206 HydrophobicContact CB-CD1 4.16Å; L25-I206 HydrophobicContact CB-CG1 3.88Å; L25-I206 HydrophobicContact CD1-CG1 4.43Å; Q202-I206 VanDerWaalsContact O-CG1 3.3Å; Q202-I206 WeakPolarHBondContact O-CG1 3.36Å; Q202-I206 PolarHBondContact O-N 3.12Å; I206-Y208 VanDerWaalsContact C-N 3.33Å; I206-Y208 PolarHBondContact O-N 3.17Å; I206-S210 WeakPolarHBondContact O-CB 3.47Å; I206-S210 PolarHBondContact O-N 2.9Å |
| 207 | G | 84.5 | Confident | 82.9 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R203 T204 T205 H211 | R203-G207 PolarHBondContact O-N 3.36Å; T204-G207 PolarHBondContact O-N 3.41Å; T205-G207 VanDerWaalsContact C-N 3.33Å; T205-G207 PolarHBondContact O-N 3.04Å; G207-H211 PolarHBondContact O-N 3.38Å |
| 208 | Y | 89.3 | Confident | 81.7 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -50 | 178.8 | -177.8 | -139.6 | 0 | 0 | 0 | 112.5 | L45 E49 L154 L157 R158 F161 T204 T205 I206 S210 H211 L212 | L45-Y208 HydrophobicContact CD1-CD1 4.21Å; L45-Y208 HydrophobicContact CD1-CE1 3.46Å; L45-Y208 VanDerWaalsContact CD1-CE1 3.46Å; L45-Y208 HydrophobicContact CD2-CE1 4.22Å; L45-Y208 HydrophobicContact CG-CE1 4.43Å; E49-Y208 PolarHBondContact OE1-OH 2.86Å; L154-Y208 HydrophobicContact CD2-CD2 4.26Å; L154-Y208 HydrophobicContact CD2-CE2 3.87Å; L157-Y208 HydrophobicContact CB-CD2 3.86Å; R158-Y208 HydrophobicContact CB-CE1 4.47Å; R158-Y208 HydrophobicContact CB-CE2 3.8Å; R158-Y208 HydrophobicContact CG-CE1 4.37Å; R158-Y208 HydrophobicContact CG-CE2 4.43Å; F161-Y208 HydrophobicContact CB-CD1 3.9Å; F161-Y208 HydrophobicContact CB-CG 4.2Å; F161-Y208 AromaticContact CD1-CD1 3.81Å; F161-Y208 HydrophobicContact CD1-CD1 3.81Å; F161-Y208 AromaticContact CD1-CE1 3.93Å; F161-Y208 HydrophobicContact CD1-CE1 3.93Å; F161-Y208 HydrophobicContact CD2-CD1 4.18Å; F161-Y208 HydrophobicContact CE1-CD1 4.4Å; F161-Y208 HydrophobicContact CE1-CE1 4.38Å; F161-Y208 AromaticContact CG-CD1 3.69Å; F161-Y208 HydrophobicContact CG-CD1 3.69Å; F161-Y208 HydrophobicContact CG-CE1 4.28Å; F161-Y208 HydrophobicContact CG-CG 4.43Å; T204-Y208 PolarHBondContact O-N 3.5Å; T205-Y208 PolarHBondContact O-N 2.9Å; I206-Y208 VanDerWaalsContact C-N 3.33Å; I206-Y208 PolarHBondContact O-N 3.17Å; Y208-S210 VanDerWaalsContact C-N 3.33Å; Y208-S210 PolarHBondContact O-N 2.92Å; Y208-H211 PolarHBondContact O-N 2.87Å; Y208-L212 HydrophobicContact CD1-CD1 4.03Å; Y208-L212 HydrophobicContact CD2-CD1 4.14Å; Y208-L212 HydrophobicContact CD2-CG 4.06Å; Y208-L212 HydrophobicContact CE1-CD1 3.75Å; Y208-L212 HydrophobicContact CE2-CD1 3.83Å; Y208-L212 HydrophobicContact CE2-CD2 3.94Å; Y208-L212 HydrophobicContact CE2-CG 3.74Å; Y208-L212 HydrophobicContact CG-CD1 4.23Å; Y208-L212 WeakPolarHBondContact O-CG 3.08Å; Y208-L212 PolarHBondContact O-N 3.44Å |
| 209 | L | 83.8 | Confident | 80.8 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -38.6 | 179.5 | -65.8 | 178.7 | 0 | 0 | 0 | 112.2 | L18 F21 V22 L25 L41 L45 T205 H211 L212 R213 | L18-L209 HydrophobicContact CD2-CD2 3.85Å; F21-L209 HydrophobicContact CB-CD1 4.24Å; V22-L209 HydrophobicContact CG2-CB 3.82Å; L25-L209 HydrophobicContact CD1-CD1 3.62Å; L41-L209 HydrophobicContact CD1-CD1 3.98Å; L41-L209 HydrophobicContact CD1-CD2 4.2Å; L45-L209 HydrophobicContact CD1-CD2 4.48Å; T205-L209 HydrophobicContact CG2-CD1 3.75Å; T205-L209 HydrophobicContact CG2-CG 4.08Å; T205-L209 WeakPolarHBondContact O-CB 3.36Å; T205-L209 VanDerWaalsContact O-CG 3.3Å; T205-L209 WeakPolarHBondContact O-CG 3.43Å; T205-L209 PolarHBondContact O-N 3.22Å; L209-H211 PolarHBondContact O-N 3.37Å; L209-L212 HydrophobicContact CD2-CD1 4.19Å; L209-L212 PolarHBondContact O-N 2.97Å; L209-R213 WeakPolarHBondContact O-CB 3.42Å; L209-R213 PolarHBondContact O-N 2.99Å |
| 210 | S | 81.4 | Confident | 80.1 | Confident | 60 Ų | 60 | 38 Ų | 38 | 42% | 0.42 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | I206 Y208 R213 Q214 | I206-S210 WeakPolarHBondContact O-CB 3.47Å; I206-S210 PolarHBondContact O-N 2.9Å; Y208-S210 VanDerWaalsContact C-N 3.33Å; Y208-S210 PolarHBondContact O-N 2.92Å; S210-R213 PolarHBondContact O-N 3.18Å; S210-Q214 PolarHBondContact O-N 3.48Å |
| 211 | H | 84.1 | Confident | 79.1 | Confident | 26 Ų | 26 | 36 Ų | 36 | 12% | 0.12 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.8 | -36.1 | 177.3 | -160.5 | 64.1 | 0 | 0 | 0 | 112.2 | S150 L154 L157 G207 Y208 L209 Q214 V215 | S150-H211 PolarHBondContact O-NE2 3.48Å; L154-H211 HydrophobicContact CD2-CB 4.34Å; L154-H211 VanDerWaalsContact CD2-CD2 3.46Å; L154-H211 WeakPolarHBondContact CD2-CD2 3.12Å; L157-H211 HydrophobicContact CD1-CB 3.41Å; L157-H211 VanDerWaalsContact CD1-CB 3.41Å; L157-H211 VanDerWaalsContact CD1-CG 3.5Å; G207-H211 PolarHBondContact O-N 3.38Å; Y208-H211 PolarHBondContact O-N 2.87Å; L209-H211 PolarHBondContact O-N 3.37Å; H211-Q214 PolarHBondContact ND1-OE1 2.93Å; H211-Q214 WeakPolarHBondContact O-CB 3.37Å; H211-Q214 PolarHBondContact O-N 2.75Å; H211-V215 WeakPolarHBondContact O-CG2 3.33Å; H211-V215 PolarHBondContact O-N 2.95Å |
| 212 | L | 83.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -47.9 | 170.9 | -75.6 | 171.8 | 0 | 0 | 0 | 111.6 | L18 L45 I52 L154 Y208 L209 Q214 V215 I216 | L18-L212 HydrophobicContact CD1-CB 4.45Å; L45-L212 HydrophobicContact CD1-CD1 3.41Å; L45-L212 VanDerWaalsContact CD1-CD1 3.41Å; I52-L212 HydrophobicContact CD1-CD2 3.14Å; L154-L212 HydrophobicContact CD1-CD2 4.36Å; L154-L212 HydrophobicContact CD2-CD2 3.64Å; L154-L212 HydrophobicContact CD2-CG 3.95Å; Y208-L212 HydrophobicContact CD1-CD1 4.03Å; Y208-L212 HydrophobicContact CD2-CD1 4.14Å; Y208-L212 HydrophobicContact CD2-CG 4.06Å; Y208-L212 HydrophobicContact CE1-CD1 3.75Å; Y208-L212 HydrophobicContact CE2-CD1 3.83Å; Y208-L212 HydrophobicContact CE2-CD2 3.94Å; Y208-L212 HydrophobicContact CE2-CG 3.74Å; Y208-L212 HydrophobicContact CG-CD1 4.23Å; Y208-L212 WeakPolarHBondContact O-CG 3.08Å; Y208-L212 PolarHBondContact O-N 3.44Å; L209-L212 HydrophobicContact CD2-CD1 4.19Å; L209-L212 PolarHBondContact O-N 2.97Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 3.01Å; L212-V215 PolarHBondContact O-N 2.68Å; L212-I216 WeakPolarHBondContact O-CB 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.48Å; L212-I216 PolarHBondContact O-N 2.77Å |
| 213 | R | 77.6 | Confident | 77.8 | Confident | 68 Ų | 68 | 34.1 Ų | 34.1 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.8 | -46.9 | 174.5 | -177.3 | -144 | 174.1 | 146.6 | -5.5 | 110.9 | S15 L18 D19 L209 S210 V215 G217 E278 | S15-R213 WeakPolarHBondContact OG-CG 3.5Å; L18-R213 HydrophobicContact CB-CB 4.45Å; L18-R213 HydrophobicContact CD1-CB 4.45Å; D19-R213 WeakPolarHBondContact OD1-CD 3.47Å; D19-R213 WeakPolarHBondContact OD1-CG 3.37Å; D19-R213 IonicContact OD1-CZ 3.3Å; D19-R213 IonicContact OD1-NE 3.06Å; D19-R213 PolarHBondContact OD1-NE 3.39Å; D19-R213 IonicContact OD1-NH1 2.94Å; D19-R213 PolarHBondContact OD1-NH1 3.4Å; D19-R213 IonicContact OD1-NH2 3.87Å; D19-R213 IonicContact OD2-CZ 3.71Å; D19-R213 IonicContact OD2-NE 3.95Å; D19-R213 PolarHBondContact OD2-NE 2.88Å; D19-R213 IonicContact OD2-NH1 3.77Å; D19-R213 PolarHBondContact OD2-NH1 3.42Å; D19-R213 IonicContact OD2-NH2 2.75Å; D19-R213 PolarHBondContact OD2-NH2 3.15Å; L209-R213 WeakPolarHBondContact O-CB 3.42Å; L209-R213 PolarHBondContact O-N 2.99Å; S210-R213 PolarHBondContact O-N 3.18Å; R213-V215 VanDerWaalsContact C-N 3.26Å; R213-V215 PolarHBondContact O-N 3.18Å; R213-G217 PolarHBondContact O-N 3.23Å; R213-E278 IonicContact NH2-OE2 2.85Å |
| 214 | Q | 76.6 | Confident | 77.2 | Confident | 106 Ų | 106 | 31 Ų | 31 | 50% | 0.495 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.1 | -38.1 | 179.5 | -175.1 | 178.4 | 7.6 | 0 | 0 | 112.2 | S210 H211 L212 N219 | S210-Q214 PolarHBondContact O-N 3.48Å; H211-Q214 PolarHBondContact ND1-OE1 2.93Å; H211-Q214 WeakPolarHBondContact O-CB 3.37Å; H211-Q214 PolarHBondContact O-N 2.75Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 3.01Å; Q214-N219 WeakPolarHBondContact CG-ND2 3.38Å; Q214-N219 WeakPolarHBondContact O-CB 3.33Å; Q214-N219 PolarHBondContact O-ND2 3.38Å |
| 215 | V | 78.4 | Confident | 76.5 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -78 | -47.9 | -178.5 | 166 | 0 | 0 | 0 | 0 | 112.5 | I52 L151 L154 H211 L212 R213 | I52-V215 HydrophobicContact CG1-CG1 4.13Å; L151-V215 HydrophobicContact CD2-CG1 3.26Å; L151-V215 HydrophobicContact CD2-CG2 4.46Å; L154-V215 HydrophobicContact CD1-CB 4.28Å; L154-V215 HydrophobicContact CD1-CG1 4.09Å; L154-V215 HydrophobicContact CD1-CG2 3.99Å; L154-V215 HydrophobicContact CG-CG2 4.41Å; H211-V215 WeakPolarHBondContact O-CG2 3.33Å; H211-V215 PolarHBondContact O-N 2.95Å; L212-V215 PolarHBondContact O-N 2.68Å; R213-V215 VanDerWaalsContact C-N 3.26Å; R213-V215 PolarHBondContact O-N 3.18Å |
| 216 | I | 72.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76.1 | -31 | -173 | -66.3 | 174.2 | 0 | 0 | 0 | 111.7 | F11 T14 A48 T51 I52 L212 | F11-I216 HydrophobicContact CD1-CG2 3.81Å; T14-I216 HydrophobicContact CG2-CG2 4.5Å; A48-I216 HydrophobicContact CB-CD1 3.51Å; A48-I216 WeakPolarHBondContact O-CD1 3.41Å; T51-I216 HydrophobicContact CG2-CG2 4.08Å; I52-I216 HydrophobicContact CD1-CD1 3.9Å; I52-I216 HydrophobicContact CD1-CG1 4.05Å; I52-I216 HydrophobicContact CG1-CD1 4.07Å; I52-I216 HydrophobicContact CG1-CG1 3.83Å; L212-I216 WeakPolarHBondContact O-CB 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.48Å; L212-I216 PolarHBondContact O-N 2.77Å |
| 217 | G | 68.4 | Low | 76.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -143.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R213 N219 Y220 | R213-G217 PolarHBondContact O-N 3.23Å; G217-N219 PolarHBondContact O-N 3.29Å; G217-Y220 PolarHBondContact O-N 3.36Å |
| 218 | P | 64.8 | Low | 75.8 | Confident | 28 Ų | 28 | 34.7 Ų | 34.7 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -22.5 | -165.4 | 17.9 | -29.4 | 0 | 0 | 0 | 114.9 | Y220 I221 I222 F271 T275 | P218-Y220 VanDerWaalsContact C-N 3.31Å; P218-Y220 PolarHBondContact O-N 3.4Å; P218-I221 PolarHBondContact O-N 3.38Å; P218-I222 HydrophobicContact CB-CD1 4.33Å; P218-I222 WeakPolarHBondContact O-CB 3.43Å; P218-I222 WeakPolarHBondContact O-CD1 3.46Å; P218-I222 WeakPolarHBondContact O-CG1 3.37Å; P218-I222 PolarHBondContact O-N 3.37Å; P218-F271 HydrophobicContact CB-CD1 4.31Å; P218-T275 HydrophobicContact CB-CG2 3.74Å; P218-T275 HydrophobicContact CG-CG2 3.07Å |
| 219 | N | 68.9 | Low | 75.2 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 36% | 0.358 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.6 | -36.6 | 178.6 | -71.7 | -33.7 | 0 | 0 | 0 | 113 | Q214 G217 S223 | Q214-N219 WeakPolarHBondContact CG-ND2 3.38Å; Q214-N219 WeakPolarHBondContact O-CB 3.33Å; Q214-N219 PolarHBondContact O-ND2 3.38Å; G217-N219 PolarHBondContact O-N 3.29Å; N219-S223 VanDerWaalsContact O-CB 3.23Å; N219-S223 WeakPolarHBondContact O-CB 3.27Å; N219-S223 PolarHBondContact O-N 2.97Å; N219-S223 PolarHBondContact O-OG 3.28Å |
| 220 | Y | 69.4 | Low | 75.1 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 175.5 | 168.8 | -105.7 | 0 | 0 | 0 | 110.9 | F11 I55 Y59 G217 P218 S223 Y224 | F11-Y220 HydrophobicContact CD2-CD1 4.28Å; F11-Y220 HydrophobicContact CD2-CE1 4.32Å; F11-Y220 HydrophobicContact CE1-CD1 4.28Å; F11-Y220 HydrophobicContact CE1-CE1 4.35Å; F11-Y220 AromaticContact CE2-CD1 3.9Å; F11-Y220 HydrophobicContact CE2-CD1 3.9Å; F11-Y220 AromaticContact CE2-CE1 3.54Å; F11-Y220 HydrophobicContact CE2-CE1 3.54Å; F11-Y220 AromaticContact CZ-CD1 3.9Å; F11-Y220 HydrophobicContact CZ-CD1 3.9Å; F11-Y220 AromaticContact CZ-CE1 3.56Å; F11-Y220 HydrophobicContact CZ-CE1 3.56Å; I55-Y220 HydrophobicContact CB-CD2 4.24Å; I55-Y220 HydrophobicContact CB-CE2 4.12Å; I55-Y220 HydrophobicContact CD1-CD1 4.4Å; I55-Y220 HydrophobicContact CD1-CD2 3.84Å; I55-Y220 HydrophobicContact CD1-CE2 4.3Å; I55-Y220 HydrophobicContact CD1-CG 3.9Å; I55-Y220 HydrophobicContact CG1-CD2 3.74Å; I55-Y220 HydrophobicContact CG1-CE2 3.69Å; I55-Y220 HydrophobicContact CG1-CG 4.19Å; I55-Y220 HydrophobicContact CG2-CD2 3.54Å; I55-Y220 HydrophobicContact CG2-CE2 3.67Å; Y59-Y220 HydrophobicContact CE1-CD2 4.26Å; Y59-Y220 HydrophobicContact CE1-CE2 4.01Å; G217-Y220 PolarHBondContact O-N 3.36Å; P218-Y220 VanDerWaalsContact C-N 3.31Å; P218-Y220 PolarHBondContact O-N 3.4Å; Y220-S223 WeakPolarHBondContact O-CB 3.45Å; Y220-S223 PolarHBondContact O-N 3.42Å; Y220-Y224 WeakPolarHBondContact O-CB 3.38Å; Y220-Y224 PolarHBondContact O-N 3.25Å |
| 221 | I | 67.2 | Low | 75 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 178.9 | -60.5 | 174 | 0 | 0 | 0 | 110.6 | A8 P218 S223 Y224 M225 F271 | A8-I221 HydrophobicContact CB-CD1 3.69Å; P218-I221 PolarHBondContact O-N 3.38Å; I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 3.42Å; I221-Y224 PolarHBondContact O-N 2.9Å; I221-M225 HydrophobicContact CG2-CE 4.41Å; I221-M225 HydrophobicContact CG2-CG 4.42Å; I221-M225 VanDerWaalsContact O-CG 3.26Å; I221-M225 WeakPolarHBondContact O-CG 3.3Å; I221-M225 PolarHBondContact O-N 3.47Å; I221-F271 HydrophobicContact CG2-CD2 4.41Å; I221-F271 HydrophobicContact CG2-CE2 4.04Å; I221-F271 HydrophobicContact CG2-CZ 4.26Å |
| 222 | I | 70.6 | Confident | 74.7 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 176.6 | -69.7 | 164 | 0 | 0 | 0 | 110.3 | P218 M225 R226 I268 F271 E272 | P218-I222 HydrophobicContact CB-CD1 4.33Å; P218-I222 WeakPolarHBondContact O-CB 3.43Å; P218-I222 WeakPolarHBondContact O-CD1 3.46Å; P218-I222 WeakPolarHBondContact O-CG1 3.37Å; P218-I222 PolarHBondContact O-N 3.37Å; I222-M225 PolarHBondContact O-N 3.22Å; I222-R226 HydrophobicContact CG2-CG 4.47Å; I222-R226 VanDerWaalsContact O-CG 3.31Å; I222-R226 WeakPolarHBondContact O-CG 3.45Å; I222-R226 PolarHBondContact O-N 3.07Å; I222-I268 HydrophobicContact CG2-CG2 4.24Å; I222-F271 HydrophobicContact CD1-CB 4.08Å; I222-F271 HydrophobicContact CG1-CB 4.03Å; I222-E272 HydrophobicContact CD1-CG 3.92Å |
| 223 | S | 73.4 | Confident | 74.5 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 178 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | N147 N219 Y220 I221 M225 R226 L227 | N147-S223 VanDerWaalsContact ND2-CB 3.35Å; N147-S223 WeakPolarHBondContact ND2-CB 3.49Å; N147-S223 PolarHBondContact ND2-OG 2.83Å; N219-S223 VanDerWaalsContact O-CB 3.23Å; N219-S223 WeakPolarHBondContact O-CB 3.27Å; N219-S223 PolarHBondContact O-N 2.97Å; N219-S223 PolarHBondContact O-OG 3.28Å; Y220-S223 WeakPolarHBondContact O-CB 3.45Å; Y220-S223 PolarHBondContact O-N 3.42Å; I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 3.42Å; S223-M225 PolarHBondContact O-N 3.3Å; S223-R226 PolarHBondContact O-N 3.39Å; S223-L227 WeakPolarHBondContact O-CG 3.41Å; S223-L227 PolarHBondContact O-N 2.83Å; S223-L227 VanDerWaalsContact O-N 3.07Å |
| 224 | Y | 72.6 | Confident | 74.6 | Confident | 99 Ų | 99 | 36.5 Ų | 36.5 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.9 | 176.7 | -94.3 | 0 | 0 | 0 | 112 | Y220 I221 R226 L227 V228 | Y220-Y224 WeakPolarHBondContact O-CB 3.38Å; Y220-Y224 PolarHBondContact O-N 3.25Å; I221-Y224 PolarHBondContact O-N 2.9Å; Y224-R226 VanDerWaalsContact C-N 3.33Å; Y224-R226 PolarHBondContact O-N 2.96Å; Y224-L227 PolarHBondContact O-N 2.96Å; Y224-V228 HydrophobicContact CD1-CG2 4.32Å; Y224-V228 HydrophobicContact CE1-CG2 3.83Å; Y224-V228 HydrophobicContact CE2-CG2 4.47Å; Y224-V228 WeakPolarHBondContact O-CG2 3.41Å; Y224-V228 PolarHBondContact O-N 3.36Å |
| 225 | M | 72.4 | Confident | 74.7 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 178.6 | -67.4 | -64.2 | -178.7 | 0 | 0 | 112.3 | I221 I222 S223 V228 I229 C264 L267 I268 | I221-M225 HydrophobicContact CG2-CE 4.41Å; I221-M225 HydrophobicContact CG2-CG 4.42Å; I221-M225 VanDerWaalsContact O-CG 3.26Å; I221-M225 WeakPolarHBondContact O-CG 3.3Å; I221-M225 PolarHBondContact O-N 3.47Å; I222-M225 PolarHBondContact O-N 3.22Å; S223-M225 PolarHBondContact O-N 3.3Å; M225-V228 PolarHBondContact O-N 2.88Å; M225-I229 WeakPolarHBondContact O-CG1 3.33Å; M225-I229 PolarHBondContact O-N 3.48Å; M225-C264 HydrophobicContact SD-CB 4.5Å; M225-L267 HydrophobicContact CE-CD1 4.21Å; M225-I268 HydrophobicContact CB-CD1 3.81Å; M225-I268 HydrophobicContact CB-CG1 3.78Å |
| 226 | R | 80.5 | Confident | 74.5 | Confident | 121 Ų | 121 | 39 Ų | 39 | 46% | 0.457 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.3 | -73.6 | 174 | -179.1 | 175.9 | 2.3 | 111.9 | I222 S223 Y224 I229 L230 I268 E272 | I222-R226 HydrophobicContact CG2-CG 4.47Å; I222-R226 VanDerWaalsContact O-CG 3.31Å; I222-R226 WeakPolarHBondContact O-CG 3.45Å; I222-R226 PolarHBondContact O-N 3.07Å; S223-R226 PolarHBondContact O-N 3.39Å; Y224-R226 VanDerWaalsContact C-N 3.33Å; Y224-R226 PolarHBondContact O-N 2.96Å; R226-I229 PolarHBondContact O-N 3.38Å; R226-L230 WeakPolarHBondContact O-CB 3.37Å; R226-L230 PolarHBondContact O-N 2.88Å; R226-I268 HydrophobicContact CG-CD1 3.96Å; R226-E272 IonicContact CZ-OE1 3.35Å; R226-E272 IonicContact NH2-OE1 2.76Å; R226-E272 PolarHBondContact NH2-OE1 2.94Å |
| 227 | L | 80.9 | Confident | 74.8 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.4 | -65.2 | 164.9 | 0 | 0 | 0 | 111.8 | I140 V143 L144 S223 Y224 L230 A231 | I140-L227 HydrophobicContact CG2-CD2 3.74Å; V143-L227 HydrophobicContact CB-CD2 4.15Å; V143-L227 HydrophobicContact CG1-CD2 3.91Å; L144-L227 HydrophobicContact CD2-CD1 3.52Å; L144-L227 HydrophobicContact CD2-CD2 4.12Å; L144-L227 HydrophobicContact CD2-CG 4.47Å; L144-L227 HydrophobicContact CG-CD1 4.21Å; L144-L227 HydrophobicContact CG-CD2 3.88Å; S223-L227 WeakPolarHBondContact O-CG 3.41Å; S223-L227 PolarHBondContact O-N 2.83Å; S223-L227 VanDerWaalsContact O-N 3.07Å; Y224-L227 PolarHBondContact O-N 2.96Å; L227-L230 PolarHBondContact O-N 3.33Å; L227-A231 WeakPolarHBondContact O-CB 3.38Å; L227-A231 PolarHBondContact O-N 3.02Å |
| 228 | V | 74.9 | Confident | 75.4 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 26% | 0.255 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62 | -46.4 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | Y224 M225 L230 A231 L232 | Y224-V228 HydrophobicContact CD1-CG2 4.32Å; Y224-V228 HydrophobicContact CE1-CG2 3.83Å; Y224-V228 HydrophobicContact CE2-CG2 4.47Å; Y224-V228 WeakPolarHBondContact O-CG2 3.41Å; Y224-V228 PolarHBondContact O-N 3.36Å; M225-V228 PolarHBondContact O-N 2.88Å; V228-L230 VanDerWaalsContact C-N 3.31Å; V228-L230 PolarHBondContact O-N 3.17Å; V228-A231 PolarHBondContact O-N 3.08Å; V228-L232 HydrophobicContact CG1-CD1 3.97Å; V228-L232 HydrophobicContact CG1-CG 4.44Å; V228-L232 WeakPolarHBondContact O-CB 3.17Å; V228-L232 WeakPolarHBondContact O-CG 3.43Å; V228-L232 PolarHBondContact O-N 3.24Å |
| 229 | I | 77.3 | Confident | 75.8 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 176.8 | -70.8 | 165.7 | 0 | 0 | 0 | 110.7 | M225 R226 L232 S233 V261 C264 K265 I268 | M225-I229 WeakPolarHBondContact O-CG1 3.33Å; M225-I229 PolarHBondContact O-N 3.48Å; R226-I229 PolarHBondContact O-N 3.38Å; I229-L232 PolarHBondContact O-N 2.89Å; I229-S233 WeakPolarHBondContact O-CB 3.37Å; I229-S233 PolarHBondContact O-N 3.35Å; I229-S233 PolarHBondContact O-OG 3.19Å; I229-V261 HydrophobicContact CG2-CG1 4.03Å; I229-V261 HydrophobicContact CG2-CG2 4.49Å; I229-C264 HydrophobicContact CD1-CB 3.64Å; I229-C264 HydrophobicContact CG1-CB 3.59Å; I229-K265 HydrophobicContact CD1-CG 3.89Å; I229-I268 HydrophobicContact CD1-CD1 3.64Å |
| 230 | L | 82 | Confident | 76.3 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | -179.5 | -177.2 | 57.2 | 0 | 0 | 0 | 111.1 | D139 I140 V143 R226 L227 V228 L232 S233 I234 | D139-L230 HydrophobicContact CB-CD2 4.1Å; I140-L230 HydrophobicContact CB-CD2 4.35Å; I140-L230 HydrophobicContact CG1-CD2 3.68Å; I140-L230 HydrophobicContact CG1-CG 3.96Å; V143-L230 HydrophobicContact CG2-CD2 4.3Å; R226-L230 WeakPolarHBondContact O-CB 3.37Å; R226-L230 PolarHBondContact O-N 2.88Å; L227-L230 PolarHBondContact O-N 3.33Å; V228-L230 VanDerWaalsContact C-N 3.31Å; V228-L230 PolarHBondContact O-N 3.17Å; L230-L232 PolarHBondContact O-N 3.36Å; L230-S233 PolarHBondContact O-N 3.32Å; L230-I234 HydrophobicContact CD1-CD1 4Å; L230-I234 HydrophobicContact CD1-CG1 4.25Å; L230-I234 HydrophobicContact CG-CD1 3.88Å; L230-I234 VanDerWaalsContact O-CG1 3.22Å; L230-I234 WeakPolarHBondContact O-CG1 3.46Å; L230-I234 PolarHBondContact O-N 2.97Å |
| 231 | A | 79.4 | Confident | 76.7 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I140 L227 V228 S233 I234 Q235 | I140-A231 HydrophobicContact CD1-CB 4.42Å; L227-A231 WeakPolarHBondContact O-CB 3.38Å; L227-A231 PolarHBondContact O-N 3.02Å; V228-A231 PolarHBondContact O-N 3.08Å; A231-S233 VanDerWaalsContact C-N 3.34Å; A231-S233 PolarHBondContact O-N 2.99Å; A231-I234 PolarHBondContact O-N 2.77Å; A231-Q235 PolarHBondContact O-N 3.19Å |
| 232 | L | 77.7 | Confident | 77.1 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63 | -40 | 176.7 | -71.8 | 174.6 | 0 | 0 | 0 | 112.2 | V228 I229 L230 Q235 Q236 L260 V261 | V228-L232 HydrophobicContact CG1-CD1 3.97Å; V228-L232 HydrophobicContact CG1-CG 4.44Å; V228-L232 WeakPolarHBondContact O-CB 3.17Å; V228-L232 WeakPolarHBondContact O-CG 3.43Å; V228-L232 PolarHBondContact O-N 3.24Å; I229-L232 PolarHBondContact O-N 2.89Å; L230-L232 PolarHBondContact O-N 3.36Å; L232-Q235 PolarHBondContact O-N 3.01Å; L232-Q236 WeakPolarHBondContact O-CB 3.34Å; L232-Q236 PolarHBondContact O-N 3.39Å; L232-L260 HydrophobicContact CD1-CB 4.02Å; L232-V261 HydrophobicContact CB-CG2 4.02Å; L232-V261 HydrophobicContact CD1-CG2 4.09Å |
| 233 | S | 78.9 | Confident | 77.2 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 35% | 0.35 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 179 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | I229 L230 A231 S237 | I229-S233 WeakPolarHBondContact O-CB 3.37Å; I229-S233 PolarHBondContact O-N 3.35Å; I229-S233 PolarHBondContact O-OG 3.19Å; L230-S233 PolarHBondContact O-N 3.32Å; A231-S233 VanDerWaalsContact C-N 3.34Å; A231-S233 PolarHBondContact O-N 2.99Å; S233-S237 VanDerWaalsContact O-CB 3.29Å; S233-S237 WeakPolarHBondContact O-CB 3.16Å; S233-S237 PolarHBondContact O-N 3.46Å |
| 234 | I | 79.8 | Confident | 77.3 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -48.3 | 175.7 | -68.1 | 168.1 | 0 | 0 | 0 | 110.2 | L133 K136 I137 I140 L230 A231 Q236 S237 Y238 | L133-I234 HydrophobicContact CD1-CG2 3.31Å; K136-I234 HydrophobicContact CB-CD1 4.24Å; K136-I234 HydrophobicContact CB-CG1 4.03Å; K136-I234 HydrophobicContact CB-CG2 4.15Å; K136-I234 WeakPolarHBondContact O-CD1 3.23Å; I137-I234 HydrophobicContact CG1-CG2 4.25Å; I140-I234 HydrophobicContact CD1-CD1 4.03Å; I140-I234 HydrophobicContact CG1-CD1 4.06Å; L230-I234 HydrophobicContact CD1-CD1 4Å; L230-I234 HydrophobicContact CD1-CG1 4.25Å; L230-I234 HydrophobicContact CG-CD1 3.88Å; L230-I234 VanDerWaalsContact O-CG1 3.22Å; L230-I234 WeakPolarHBondContact O-CG1 3.46Å; L230-I234 PolarHBondContact O-N 2.97Å; A231-I234 PolarHBondContact O-N 2.77Å; I234-Q236 PolarHBondContact O-N 3.07Å; I234-S237 PolarHBondContact O-N 3.36Å; I234-Y238 PolarHBondContact O-N 2.84Å |
| 235 | Q | 77.5 | Confident | 77.3 | Confident | 121 Ų | 121 | 51.8 Ų | 51.8 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.5 | -46.1 | 177.8 | -178 | -177.9 | -36.6 | 0 | 0 | 111.8 | A231 L232 Y238 S239 | A231-Q235 PolarHBondContact O-N 3.19Å; L232-Q235 PolarHBondContact O-N 3.01Å; Q235-Y238 PolarHBondContact O-N 3.31Å; Q235-S239 WeakPolarHBondContact O-CB 3.27Å; Q235-S239 PolarHBondContact O-N 3.43Å |
| 236 | Q | 75.5 | Confident | 77.4 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 23% | 0.229 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 177.9 | 179.5 | 175.5 | -9 | 0 | 0 | 111.2 | L232 I234 Y238 S239 E240 | L232-Q236 WeakPolarHBondContact O-CB 3.34Å; L232-Q236 PolarHBondContact O-N 3.39Å; I234-Q236 PolarHBondContact O-N 3.07Å; Q236-Y238 VanDerWaalsContact C-N 3.27Å; Q236-Y238 PolarHBondContact O-N 2.64Å; Q236-S239 PolarHBondContact O-N 3.21Å; Q236-E240 HydrophobicContact CG-CG 4.45Å; Q236-E240 VanDerWaalsContact CG-OE1 3.31Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.4Å; Q236-E240 PolarHBondContact NE2-OE1 3.39Å; Q236-E240 WeakPolarHBondContact O-CG 3.49Å; Q236-E240 PolarHBondContact O-N 3.49Å |
| 237 | S | 78.7 | Confident | 76.8 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 112 | K136 S233 I234 Q241 | K136-S237 PolarHBondContact NZ-OG 3.33Å; S233-S237 VanDerWaalsContact O-CB 3.29Å; S233-S237 WeakPolarHBondContact O-CB 3.16Å; S233-S237 PolarHBondContact O-N 3.46Å; I234-S237 PolarHBondContact O-N 3.36Å; S237-Q241 WeakPolarHBondContact O-CG 3.44Å; S237-Q241 PolarHBondContact O-N 2.93Å |
| 238 | Y | 80.6 | Confident | 75.6 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 176.8 | -177.5 | -113.7 | 0 | 0 | 0 | 112.2 | F126 Q129 L133 I234 Q235 Q236 E240 Q241 L242 | F126-Y238 VanDerWaalsContact CE2-OH 3.3Å; F126-Y238 WeakPolarHBondContact CE2-OH 3.12Å; Q129-Y238 HydrophobicContact CB-CE2 4.12Å; L133-Y238 HydrophobicContact CB-CD2 3.79Å; L133-Y238 HydrophobicContact CB-CE2 4.09Å; L133-Y238 HydrophobicContact CB-CG 4.34Å; L133-Y238 HydrophobicContact CD1-CG 4.34Å; L133-Y238 HydrophobicContact CD2-CD1 3.88Å; L133-Y238 HydrophobicContact CD2-CD2 3.89Å; L133-Y238 HydrophobicContact CD2-CE1 3.92Å; L133-Y238 HydrophobicContact CD2-CE2 3.94Å; L133-Y238 HydrophobicContact CD2-CG 3.85Å; L133-Y238 HydrophobicContact CG-CD2 4.3Å; L133-Y238 HydrophobicContact CG-CG 4.4Å; I234-Y238 PolarHBondContact O-N 2.84Å; Q235-Y238 PolarHBondContact O-N 3.31Å; Q236-Y238 VanDerWaalsContact C-N 3.27Å; Q236-Y238 PolarHBondContact O-N 2.64Å; Y238-E240 VanDerWaalsContact C-N 3.32Å; Y238-E240 PolarHBondContact O-N 3.14Å; Y238-Q241 PolarHBondContact O-N 2.9Å; Y238-L242 HydrophobicContact CD1-CD1 3.95Å; Y238-L242 HydrophobicContact CD1-CG 4.42Å; Y238-L242 HydrophobicContact CE1-CD1 3.39Å; Y238-L242 HydrophobicContact CE1-CG 4.11Å; Y238-L242 HydrophobicContact CE2-CD1 4.29Å; Y238-L242 HydrophobicContact CE2-CD2 4.23Å; Y238-L242 HydrophobicContact CE2-CG 4.2Å; Y238-L242 WeakPolarHBondContact O-CG 3.43Å; Y238-L242 PolarHBondContact O-N 3.01Å |
| 239 | S | 74.3 | Confident | 74.5 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | Q235 Q236 G243 | Q235-S239 WeakPolarHBondContact O-CB 3.27Å; Q235-S239 PolarHBondContact O-N 3.43Å; Q236-S239 PolarHBondContact O-N 3.21Å; S239-G243 PolarHBondContact O-N 2.86Å |
| 240 | E | 77.9 | Confident | 73.3 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 177 | -73.1 | 171.2 | -174.3 | 0 | 0 | 111.5 | Q236 Y238 L242 G243 L244 | Q236-E240 HydrophobicContact CG-CG 4.45Å; Q236-E240 VanDerWaalsContact CG-OE1 3.31Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.4Å; Q236-E240 PolarHBondContact NE2-OE1 3.39Å; Q236-E240 WeakPolarHBondContact O-CG 3.49Å; Q236-E240 PolarHBondContact O-N 3.49Å; Y238-E240 VanDerWaalsContact C-N 3.32Å; Y238-E240 PolarHBondContact O-N 3.14Å; E240-L242 PolarHBondContact O-N 3.04Å; E240-G243 PolarHBondContact O-N 3.01Å; E240-L244 WeakPolarHBondContact O-CG 3.45Å; E240-L244 PolarHBondContact O-N 2.97Å |
| 241 | Q | 78.2 | Confident | 71.9 | Confident | 72 Ų | 72 | 72 Ų | 72 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 177.7 | -68.4 | -68.5 | -47 | 0 | 0 | 112.1 | Q129 S237 Y238 L245 | Q129-Q241 HydrophobicContact CG-CB 4.35Å; Q129-Q241 VanDerWaalsContact NE2-OE1 3.11Å; S237-Q241 WeakPolarHBondContact O-CG 3.44Å; S237-Q241 PolarHBondContact O-N 2.93Å; Y238-Q241 PolarHBondContact O-N 2.9Å; Q241-L245 WeakPolarHBondContact O-CG 3.45Å; Q241-L245 PolarHBondContact O-N 2.93Å |
| 242 | L | 76 | Confident | 70.6 | Confident | 35 Ų | 35 | 75 Ų | 75 | 18% | 0.183 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 173.2 | -68.1 | -173.3 | 0 | 0 | 0 | 112.2 | F126 Y238 E240 L244 L245 F246 | F126-L242 HydrophobicContact CD2-CD2 3.64Å; F126-L242 HydrophobicContact CE2-CD1 4.46Å; F126-L242 HydrophobicContact CE2-CD2 3.75Å; Y238-L242 HydrophobicContact CD1-CD1 3.95Å; Y238-L242 HydrophobicContact CD1-CG 4.42Å; Y238-L242 HydrophobicContact CE1-CD1 3.39Å; Y238-L242 HydrophobicContact CE1-CG 4.11Å; Y238-L242 HydrophobicContact CE2-CD1 4.29Å; Y238-L242 HydrophobicContact CE2-CD2 4.23Å; Y238-L242 HydrophobicContact CE2-CG 4.2Å; Y238-L242 WeakPolarHBondContact O-CG 3.43Å; Y238-L242 PolarHBondContact O-N 3.01Å; E240-L242 PolarHBondContact O-N 3.04Å; L242-L244 VanDerWaalsContact C-N 3.29Å; L242-L244 PolarHBondContact O-N 3.27Å; L242-L245 HydrophobicContact CD2-CD1 4.27Å; L242-L245 WeakPolarHBondContact O-CB 3.49Å; L242-L245 PolarHBondContact O-N 3.35Å; L242-L245 VanDerWaalsContact O-N 3.08Å; L242-F246 HydrophobicContact CB-CD2 4.43Å; L242-F246 HydrophobicContact CD2-CE2 4.21Å; L242-F246 WeakPolarHBondContact O-CD2 3.44Å; L242-F246 PolarHBondContact O-N 2.92Å |
| 243 | G | 72.9 | Confident | 69.5 | Low | 14 Ų | 14 | 78.4 Ų | 78.4 | 14% | 0.144 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S239 E240 L245 N247 S248 | S239-G243 PolarHBondContact O-N 2.86Å; E240-G243 PolarHBondContact O-N 3.01Å; G243-L245 VanDerWaalsContact C-N 3.35Å; G243-N247 WeakPolarHBondContact O-CA 3.42Å; G243-N247 PolarHBondContact O-N 2.91Å; G243-S248 PolarHBondContact O-N 2.74Å |
| 244 | L | 75.1 | Confident | 68.5 | Low | 133 Ų | 133 | 78.5 Ų | 78.5 | 70% | 0.696 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.3 | -34 | 173.5 | -68.5 | 172.5 | 0 | 0 | 0 | 112.8 | E240 L242 | E240-L244 WeakPolarHBondContact O-CG 3.45Å; E240-L244 PolarHBondContact O-N 2.97Å; L242-L244 VanDerWaalsContact C-N 3.29Å; L242-L244 PolarHBondContact O-N 3.27Å |
| 245 | L | 73.1 | Confident | 67.4 | Low | 40 Ų | 40 | 83.3 Ų | 83.3 | 21% | 0.209 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -73.5 | -39.6 | 178.1 | -74 | 171.5 | 0 | 0 | 0 | 112.9 | L125 Q129 Q241 L242 G243 | L125-L245 HydrophobicContact CB-CD1 4.41Å; L125-L245 HydrophobicContact CB-CD2 3.8Å; L125-L245 HydrophobicContact CD1-CD2 3.62Å; L125-L245 HydrophobicContact CG-CD2 4.29Å; Q129-L245 HydrophobicContact CG-CD1 3.72Å; Q241-L245 WeakPolarHBondContact O-CG 3.45Å; Q241-L245 PolarHBondContact O-N 2.93Å; L242-L245 HydrophobicContact CD2-CD1 4.27Å; L242-L245 WeakPolarHBondContact O-CB 3.49Å; L242-L245 PolarHBondContact O-N 3.35Å; L242-L245 VanDerWaalsContact O-N 3.08Å; G243-L245 VanDerWaalsContact C-N 3.35Å |
| 246 | F | 74.1 | Confident | 66.5 | Low | 121 Ų | 121 | 81.8 Ų | 81.8 | 53% | 0.531 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -102.8 | 5.4 | -174 | -64.7 | -67 | 0 | 0 | 0 | 114.3 | L242 S248 | L242-F246 HydrophobicContact CB-CD2 4.43Å; L242-F246 HydrophobicContact CD2-CE2 4.21Å; L242-F246 WeakPolarHBondContact O-CD2 3.44Å; L242-F246 PolarHBondContact O-N 2.92Å; F246-S248 PolarHBondContact O-N 3.44Å; F246-S248 VanDerWaalsContact O-N 3.14Å |
| 247 | N | 68.3 | Low | 66 | Low | 158 Ų | 158 | 80.1 Ų | 80.1 | 85% | 0.845 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 27.7 | -177.7 | -116.7 | 1.4 | 0 | 0 | 0 | 113.6 | G243 | G243-N247 WeakPolarHBondContact O-CA 3.42Å; G243-N247 PolarHBondContact O-N 2.91Å |
| 248 | S | 56 | Low | 65.5 | Low | 61 Ų | 61 | 81.4 Ų | 81.4 | 43% | 0.427 | 45% | 0.452 | S | S | . | . | trans | -91 | 114.8 | -178.9 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | G243 F246 S250 | G243-S248 PolarHBondContact O-N 2.74Å; F246-S248 PolarHBondContact O-N 3.44Å; F246-S248 VanDerWaalsContact O-N 3.14Å; S248-S250 VanDerWaalsContact C-N 3.26Å; S248-S250 PolarHBondContact O-N 3.32Å | ||
| 249 | S | 50.6 | Low | 65.1 | Low | 112 Ų | 112 | 82.8 Ų | 82.8 | 78% | 0.783 | 46% | 0.462 | S | S | * | . | trans | -81.3 | 44.3 | -176.3 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | K251 | S249-K251 VanDerWaalsContact C-N 3.3Å; S249-K251 PolarHBondContact O-N 3.31Å | ||
| 250 | S | 52.4 | Low | 64.9 | Low | 59 Ų | 59 | 83.3 Ų | 83.3 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | trans | -76.3 | 76.8 | -177.9 | 71.6 | 0 | 0 | 0 | 0 | 112 | S248 T252 | S248-S250 VanDerWaalsContact C-N 3.26Å; S248-S250 PolarHBondContact O-N 3.32Å; S250-T252 VanDerWaalsContact C-N 3.25Å; S250-T252 PolarHBondContact O-N 3.36Å | ||
| 251 | K | 53.8 | Low | 64.8 | Low | 179 Ų | 179 | 79.4 Ų | 79.4 | 78% | 0.778 | 44% | 0.444 | S | S | * | . | trans | -70 | -16.3 | 177.1 | -74.9 | -179.3 | 177.4 | 176.5 | 0 | 114.1 | S249 | S249-K251 VanDerWaalsContact C-N 3.3Å; S249-K251 PolarHBondContact O-N 3.31Å | ||
| 252 | T | 51.3 | Low | 64.6 | Low | 107 Ų | 107 | 82.3 Ų | 82.3 | 66% | 0.656 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | -170.7 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | S250 S254 | S250-T252 VanDerWaalsContact C-N 3.25Å; S250-T252 PolarHBondContact O-N 3.36Å; T252-S254 VanDerWaalsContact C-N 3.32Å; T252-S254 PolarHBondContact O-N 3.31Å |
| 253 | N | 54.6 | Low | 64.5 | Low | 101 Ų | 101 | 85 Ų | 85 | 54% | 0.54 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.4 | -27.5 | -177.4 | -70.1 | -7.6 | 0 | 0 | 0 | 113.3 | ||
| 254 | S | 57.9 | Low | 64.5 | Low | 51 Ų | 51 | 84.4 Ų | 84.4 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | -177.8 | 128.2 | 0 | 0 | 0 | 0 | 112.4 | T252 S258 | T252-S254 VanDerWaalsContact C-N 3.32Å; T252-S254 PolarHBondContact O-N 3.31Å; S254-S258 WeakPolarHBondContact O-CB 3.36Å; S254-S258 PolarHBondContact O-N 3.07Å; S254-S258 VanDerWaalsContact O-N 3.11Å |
| 255 | L | 57.3 | Low | 64.7 | Low | 113 Ų | 113 | 83.9 Ų | 83.9 | 59% | 0.592 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.4 | -43.7 | -175.3 | -171 | 68.7 | 0 | 0 | 0 | 111.8 | S258 I259 | L255-S258 PolarHBondContact O-N 3.09Å; L255-I259 HydrophobicContact CG-CD1 4.11Å; L255-I259 WeakPolarHBondContact O-CG1 3.44Å; L255-I259 PolarHBondContact O-N 3.34Å; L255-I259 VanDerWaalsContact O-N 3.08Å |
| 256 | T | 58.6 | Low | 64.9 | Low | 88 Ų | 88 | 87.6 Ų | 87.6 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | -179.1 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | I259 L260 | T256-I259 PolarHBondContact O-N 3.16Å; T256-L260 HydrophobicContact CG2-CD1 4.28Å; T256-L260 PolarHBondContact O-N 2.99Å; T256-L260 VanDerWaalsContact O-N 3.15Å |
| 257 | S | 64.6 | Low | 64.8 | Low | 15 Ų | 15 | 84.9 Ų | 84.9 | 11% | 0.105 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 176 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | L260 V261 | S257-L260 PolarHBondContact O-N 3.5Å; S257-V261 WeakPolarHBondContact O-CB 3.47Å; S257-V261 VanDerWaalsContact O-CG2 3.26Å; S257-V261 WeakPolarHBondContact O-CG2 3.27Å; S257-V261 PolarHBondContact O-N 3.35Å |
| 258 | S | 68.8 | Low | 65 | Low | 58 Ų | 58 | 78.1 Ų | 78.1 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | S254 L255 L260 V261 Q262 | S254-S258 WeakPolarHBondContact O-CB 3.36Å; S254-S258 PolarHBondContact O-N 3.07Å; S254-S258 VanDerWaalsContact O-N 3.11Å; L255-S258 PolarHBondContact O-N 3.09Å; S258-L260 PolarHBondContact O-N 3.36Å; S258-V261 PolarHBondContact O-N 3.41Å; S258-Q262 WeakPolarHBondContact O-CB 3.19Å; S258-Q262 PolarHBondContact O-N 2.91Å |
| 259 | I | 72.5 | Confident | 66.1 | Low | 80 Ų | 80 | 78.2 Ų | 78.2 | 41% | 0.41 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 177.2 | -66.8 | 165.9 | 0 | 0 | 0 | 110.9 | L255 T256 Q262 Q263 | L255-I259 HydrophobicContact CG-CD1 4.11Å; L255-I259 WeakPolarHBondContact O-CG1 3.44Å; L255-I259 PolarHBondContact O-N 3.34Å; L255-I259 VanDerWaalsContact O-N 3.08Å; T256-I259 PolarHBondContact O-N 3.16Å; I259-Q262 PolarHBondContact O-N 3.43Å; I259-Q263 WeakPolarHBondContact O-CG 3.49Å; I259-Q263 PolarHBondContact O-N 3.44Å |
| 260 | L | 69 | Low | 67.2 | Low | 55 Ų | 55 | 76.3 Ų | 76.3 | 29% | 0.288 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 177.2 | -87.2 | 156.7 | 0 | 0 | 0 | 112 | M1 L232 T256 S257 S258 Q262 Q263 C264 | M1-L260 HydrophobicContact CE-CD2 3.74Å; M1-L260 HydrophobicContact SD-CD2 4.44Å; L232-L260 HydrophobicContact CD1-CB 4.02Å; T256-L260 HydrophobicContact CG2-CD1 4.28Å; T256-L260 PolarHBondContact O-N 2.99Å; T256-L260 VanDerWaalsContact O-N 3.15Å; S257-L260 PolarHBondContact O-N 3.5Å; S258-L260 PolarHBondContact O-N 3.36Å; L260-Q262 VanDerWaalsContact C-N 3.32Å; L260-Q262 PolarHBondContact O-N 2.91Å; L260-Q263 PolarHBondContact O-N 3.17Å; L260-C264 PolarHBondContact O-N 3.23Å; L260-C264 PolarHBondContact O-SG 3.09Å; L260-C264 VanDerWaalsContact O-SG 3.38Å |
| 261 | V | 75.2 | Confident | 67.8 | Low | 15 Ų | 15 | 75.4 Ų | 75.4 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.7 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | I229 L232 S257 S258 C264 K265 | I229-V261 HydrophobicContact CG2-CG1 4.03Å; I229-V261 HydrophobicContact CG2-CG2 4.49Å; L232-V261 HydrophobicContact CB-CG2 4.02Å; L232-V261 HydrophobicContact CD1-CG2 4.09Å; S257-V261 WeakPolarHBondContact O-CB 3.47Å; S257-V261 VanDerWaalsContact O-CG2 3.26Å; S257-V261 WeakPolarHBondContact O-CG2 3.27Å; S257-V261 PolarHBondContact O-N 3.35Å; S258-V261 PolarHBondContact O-N 3.41Å; V261-C264 PolarHBondContact O-N 3.37Å; V261-K265 HydrophobicContact CG1-CD 4.2Å; V261-K265 WeakPolarHBondContact O-CG 3.35Å; V261-K265 PolarHBondContact O-N 3.1Å |
| 262 | Q | 75.7 | Confident | 68.8 | Low | 133 Ų | 133 | 69.7 Ų | 69.7 | 62% | 0.621 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 177.1 | -172.8 | 176.4 | -3.2 | 0 | 0 | 112 | S258 I259 L260 K265 Q266 | S258-Q262 WeakPolarHBondContact O-CB 3.19Å; S258-Q262 PolarHBondContact O-N 2.91Å; I259-Q262 PolarHBondContact O-N 3.43Å; L260-Q262 VanDerWaalsContact C-N 3.32Å; L260-Q262 PolarHBondContact O-N 2.91Å; Q262-K265 PolarHBondContact O-N 3.08Å; Q262-Q266 PolarHBondContact O-N 2.87Å |
| 263 | Q | 73.8 | Confident | 69.7 | Low | 91 Ų | 91 | 70.6 Ų | 70.6 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 175.7 | -74.1 | 179.4 | -15.4 | 0 | 0 | 111.9 | I259 L260 K265 Q266 L267 | I259-Q263 WeakPolarHBondContact O-CG 3.49Å; I259-Q263 PolarHBondContact O-N 3.44Å; L260-Q263 PolarHBondContact O-N 3.17Å; Q263-K265 VanDerWaalsContact C-N 3.34Å; Q263-K265 PolarHBondContact O-N 3.49Å; Q263-Q266 PolarHBondContact O-N 2.74Å; Q263-L267 WeakPolarHBondContact O-CG 3.38Å; Q263-L267 PolarHBondContact O-N 2.6Å |
| 264 | C | 71.5 | Confident | 70.1 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.014 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176.1 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | M225 I229 L260 V261 L267 I268 | M225-C264 HydrophobicContact SD-CB 4.5Å; I229-C264 HydrophobicContact CD1-CB 3.64Å; I229-C264 HydrophobicContact CG1-CB 3.59Å; L260-C264 PolarHBondContact O-N 3.23Å; L260-C264 PolarHBondContact O-SG 3.09Å; L260-C264 VanDerWaalsContact O-SG 3.38Å; V261-C264 PolarHBondContact O-N 3.37Å; C264-L267 PolarHBondContact O-N 3.13Å; C264-I268 VanDerWaalsContact O-CG1 3.31Å; C264-I268 WeakPolarHBondContact O-CG1 3.28Å; C264-I268 PolarHBondContact O-N 3.44Å |
| 265 | K | 78.9 | Confident | 70.1 | Confident | 123 Ų | 123 | 71.4 Ų | 71.4 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.7 | -75.9 | 176.6 | 179.5 | 179.3 | 0 | 112.2 | I229 V261 Q262 Q263 L267 I268 T269 | I229-K265 HydrophobicContact CD1-CG 3.89Å; V261-K265 HydrophobicContact CG1-CD 4.2Å; V261-K265 WeakPolarHBondContact O-CG 3.35Å; V261-K265 PolarHBondContact O-N 3.1Å; Q262-K265 PolarHBondContact O-N 3.08Å; Q263-K265 VanDerWaalsContact C-N 3.34Å; Q263-K265 PolarHBondContact O-N 3.49Å; K265-L267 VanDerWaalsContact C-N 3.35Å; K265-I268 PolarHBondContact O-N 3.49Å; K265-T269 PolarHBondContact O-N 3.01Å; K265-T269 PolarHBondContact O-OG1 3.09Å |
| 266 | Q | 77.6 | Confident | 70 | Confident | 117 Ų | 117 | 72.2 Ų | 72.2 | 55% | 0.547 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 177.7 | -171.7 | 178.8 | 5.5 | 0 | 0 | 112.2 | Q262 Q263 T269 N270 | Q262-Q266 PolarHBondContact O-N 2.87Å; Q263-Q266 PolarHBondContact O-N 2.74Å; Q266-T269 WeakPolarHBondContact CA-OG1 3.27Å; Q266-T269 PolarHBondContact O-N 3.41Å; Q266-T269 PolarHBondContact O-OG1 3.42Å; Q266-N270 PolarHBondContact O-N 2.93Å; Q266-N270 VanDerWaalsContact O-N 3.12Å; Q266-N270 PolarHBondContact O-OD1 2.79Å |
| 267 | L | 71.7 | Confident | 69.5 | Low | 65 Ų | 65 | 73.7 Ų | 73.7 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 174.4 | -71.9 | 173.6 | 0 | 0 | 0 | 111.5 | M225 Q263 C264 K265 T269 N270 F271 | M225-L267 HydrophobicContact CE-CD1 4.21Å; Q263-L267 WeakPolarHBondContact O-CG 3.38Å; Q263-L267 PolarHBondContact O-N 2.6Å; C264-L267 PolarHBondContact O-N 3.13Å; K265-L267 VanDerWaalsContact C-N 3.35Å; L267-T269 VanDerWaalsContact C-N 3.33Å; L267-T269 PolarHBondContact O-N 3.18Å; L267-N270 PolarHBondContact O-N 3.45Å; L267-N270 VanDerWaalsContact O-N 3.15Å; L267-F271 HydrophobicContact CB-CE2 4.45Å; L267-F271 WeakPolarHBondContact O-CD2 3.44Å; L267-F271 PolarHBondContact O-N 3.2Å |
| 268 | I | 74.3 | Confident | 68.4 | Low | 16 Ų | 16 | 78.6 Ų | 78.6 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.9 | -48.3 | 176.1 | -70.1 | 165.3 | 0 | 0 | 0 | 110.6 | I222 M225 R226 I229 C264 K265 N270 F271 E272 | I222-I268 HydrophobicContact CG2-CG2 4.24Å; M225-I268 HydrophobicContact CB-CD1 3.81Å; M225-I268 HydrophobicContact CB-CG1 3.78Å; R226-I268 HydrophobicContact CG-CD1 3.96Å; I229-I268 HydrophobicContact CD1-CD1 3.64Å; C264-I268 VanDerWaalsContact O-CG1 3.31Å; C264-I268 WeakPolarHBondContact O-CG1 3.28Å; C264-I268 PolarHBondContact O-N 3.44Å; K265-I268 PolarHBondContact O-N 3.49Å; I268-N270 VanDerWaalsContact C-N 3.29Å; I268-N270 PolarHBondContact O-N 3.16Å; I268-F271 PolarHBondContact O-N 2.83Å; I268-E272 HydrophobicContact CG2-CG 4.13Å; I268-E272 WeakPolarHBondContact CG2-OE1 3.47Å; I268-E272 WeakPolarHBondContact O-CB 3.31Å; I268-E272 WeakPolarHBondContact O-CG 3.49Å; I268-E272 PolarHBondContact O-N 3.28Å |
| 269 | T | 78.3 | Confident | 66.9 | Low | 63 Ų | 63 | 80.3 Ų | 80.3 | 39% | 0.387 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 179.1 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | K265 Q266 L267 Q273 | K265-T269 PolarHBondContact O-N 3.01Å; K265-T269 PolarHBondContact O-OG1 3.09Å; Q266-T269 WeakPolarHBondContact CA-OG1 3.27Å; Q266-T269 PolarHBondContact O-N 3.41Å; Q266-T269 PolarHBondContact O-OG1 3.42Å; L267-T269 VanDerWaalsContact C-N 3.33Å; L267-T269 PolarHBondContact O-N 3.18Å; T269-Q273 WeakPolarHBondContact O-CB 3.47Å; T269-Q273 VanDerWaalsContact O-CG 3.24Å; T269-Q273 WeakPolarHBondContact O-CG 3.23Å; T269-Q273 PolarHBondContact O-N 3.07Å |
| 270 | N | 72.8 | Confident | 65 | Low | 72 Ų | 72 | 82.4 Ų | 82.4 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 176.8 | -67.4 | -7.3 | 0 | 0 | 0 | 111.9 | Q266 L267 I268 Q273 K274 | Q266-N270 PolarHBondContact O-N 2.93Å; Q266-N270 VanDerWaalsContact O-N 3.12Å; Q266-N270 PolarHBondContact O-OD1 2.79Å; L267-N270 PolarHBondContact O-N 3.45Å; L267-N270 VanDerWaalsContact O-N 3.15Å; I268-N270 VanDerWaalsContact C-N 3.29Å; I268-N270 PolarHBondContact O-N 3.16Å; N270-Q273 PolarHBondContact O-N 3.21Å; N270-K274 PolarHBondContact O-N 3.4Å; N270-K274 VanDerWaalsContact O-N 3.09Å |
| 271 | F | 66.6 | Low | 63.2 | Low | 39 Ų | 39 | 84.8 Ų | 84.8 | 17% | 0.171 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 176.8 | -76.9 | -69.7 | 0 | 0 | 0 | 112.2 | P218 I221 I222 L267 I268 Q273 K274 T275 | P218-F271 HydrophobicContact CB-CD1 4.31Å; I221-F271 HydrophobicContact CG2-CD2 4.41Å; I221-F271 HydrophobicContact CG2-CE2 4.04Å; I221-F271 HydrophobicContact CG2-CZ 4.26Å; I222-F271 HydrophobicContact CD1-CB 4.08Å; I222-F271 HydrophobicContact CG1-CB 4.03Å; L267-F271 HydrophobicContact CB-CE2 4.45Å; L267-F271 WeakPolarHBondContact O-CD2 3.44Å; L267-F271 PolarHBondContact O-N 3.2Å; I268-F271 PolarHBondContact O-N 2.83Å; F271-Q273 VanDerWaalsContact C-N 3.31Å; F271-Q273 PolarHBondContact O-N 3.33Å; F271-K274 PolarHBondContact O-N 3.41Å; F271-T275 WeakPolarHBondContact O-CG2 3.42Å; F271-T275 PolarHBondContact O-N 3.32Å; F271-T275 PolarHBondContact O-OG1 2.97Å |
| 272 | E | 74.3 | Confident | 61.1 | Low | 60 Ų | 60 | 92.4 Ų | 92.4 | 28% | 0.28 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 174.6 | -73 | 177.2 | 171 | 0 | 0 | 111.8 | I222 R226 I268 T275 N276 | I222-E272 HydrophobicContact CD1-CG 3.92Å; R226-E272 IonicContact CZ-OE1 3.35Å; R226-E272 IonicContact NH2-OE1 2.76Å; R226-E272 PolarHBondContact NH2-OE1 2.94Å; I268-E272 HydrophobicContact CG2-CG 4.13Å; I268-E272 WeakPolarHBondContact CG2-OE1 3.47Å; I268-E272 WeakPolarHBondContact O-CB 3.31Å; I268-E272 WeakPolarHBondContact O-CG 3.49Å; I268-E272 PolarHBondContact O-N 3.28Å; E272-T275 VanDerWaalsContact CA-OG1 3.3Å; E272-T275 WeakPolarHBondContact CA-OG1 3.35Å; E272-T275 PolarHBondContact O-OG1 3.41Å; E272-N276 PolarHBondContact O-N 3.02Å; E272-N276 PolarHBondContact O-ND2 3.43Å |
| 273 | Q | 70.9 | Confident | 58.9 | Low | 126 Ų | 126 | 94.1 Ų | 94.1 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.9 | -46.8 | 173.2 | -76.7 | 174.5 | 0.4 | 0 | 0 | 112.2 | T269 N270 F271 T275 N276 T277 | T269-Q273 WeakPolarHBondContact O-CB 3.47Å; T269-Q273 VanDerWaalsContact O-CG 3.24Å; T269-Q273 WeakPolarHBondContact O-CG 3.23Å; T269-Q273 PolarHBondContact O-N 3.07Å; N270-Q273 PolarHBondContact O-N 3.21Å; F271-Q273 VanDerWaalsContact C-N 3.31Å; F271-Q273 PolarHBondContact O-N 3.33Å; Q273-T275 VanDerWaalsContact C-N 3.33Å; Q273-T275 PolarHBondContact O-N 3.37Å; Q273-N276 PolarHBondContact O-N 3.48Å; Q273-T277 PolarHBondContact O-N 3.18Å; Q273-T277 PolarHBondContact O-OG1 3.04Å; Q273-T277 VanDerWaalsContact O-OG1 3.1Å |
| 274 | K | 61.5 | Low | 56.6 | Low | 132 Ų | 132 | 99 Ų | 99 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.3 | -43.5 | 177.3 | -78 | -175 | 175.9 | -172.9 | 0 | 112.6 | N270 F271 N276 T277 E278 | N270-K274 PolarHBondContact O-N 3.4Å; N270-K274 VanDerWaalsContact O-N 3.09Å; F271-K274 PolarHBondContact O-N 3.41Å; K274-N276 PolarHBondContact O-N 2.95Å; K274-T277 PolarHBondContact O-N 3.4Å; K274-T277 PolarHBondContact O-OG1 3.48Å; K274-E278 PolarHBondContact O-N 2.99Å |
| 275 | T | 58.2 | Low | 54.7 | Low | 37 Ų | 37 | 104.7 Ų | 104.7 | 23% | 0.227 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 178.4 | 43.8 | 0 | 0 | 0 | 0 | 113.2 | P218 F271 E272 Q273 V279 | P218-T275 HydrophobicContact CB-CG2 3.74Å; P218-T275 HydrophobicContact CG-CG2 3.07Å; F271-T275 WeakPolarHBondContact O-CG2 3.42Å; F271-T275 PolarHBondContact O-N 3.32Å; F271-T275 PolarHBondContact O-OG1 2.97Å; E272-T275 VanDerWaalsContact CA-OG1 3.3Å; E272-T275 WeakPolarHBondContact CA-OG1 3.35Å; E272-T275 PolarHBondContact O-OG1 3.41Å; Q273-T275 VanDerWaalsContact C-N 3.33Å; Q273-T275 PolarHBondContact O-N 3.37Å; T275-V279 WeakPolarHBondContact O-CG2 3.49Å |
| 276 | N | 54.4 | Low | 52.2 | Low | 130 Ų | 130 | 103.3 Ų | 103.3 | 70% | 0.695 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74 | -26.6 | 178.6 | -74.2 | -39.3 | 0 | 0 | 0 | 113.2 | E272 Q273 K274 | E272-N276 PolarHBondContact O-N 3.02Å; E272-N276 PolarHBondContact O-ND2 3.43Å; Q273-N276 PolarHBondContact O-N 3.48Å; K274-N276 PolarHBondContact O-N 2.95Å |
| 277 | T | 49.3 | Very low | 49.8 | Very low | 118 Ų | 118 | 106.3 Ų | 106.3 | 72% | 0.724 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -80.8 | -22 | 177.4 | 40.9 | 0 | 0 | 0 | 0 | 114.4 | Q273 K274 | Q273-T277 PolarHBondContact O-N 3.18Å; Q273-T277 PolarHBondContact O-OG1 3.04Å; Q273-T277 VanDerWaalsContact O-OG1 3.1Å; K274-T277 PolarHBondContact O-N 3.4Å; K274-T277 PolarHBondContact O-OG1 3.48Å |
| 278 | E | 41.8 | Very low | 47.9 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -103.6 | 2.5 | -172.8 | -72.5 | -177 | -179 | 0 | 0 | 115.2 | R213 K274 P280 | R213-E278 IonicContact NH2-OE2 2.85Å; K274-E278 PolarHBondContact O-N 2.99Å; E278-P280 VanDerWaalsContact O-CD 3.32Å; E278-P280 WeakPolarHBondContact O-CD 3.46Å |
| 279 | V | 37.1 | Very low | 45.6 | Very low | 94 Ų | 94 | 113.3 Ų | 113.3 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -99.1 | 107.3 | 174.7 | 180 | 0 | 0 | 0 | 0 | 108.6 | T275 S281 | T275-V279 WeakPolarHBondContact O-CG2 3.49Å; V279-S281 VanDerWaalsContact C-N 3.34Å; V279-S281 PolarHBondContact O-N 3.04Å |
| 280 | P | 31.9 | Very low | 43.1 | Very low | 124 Ų | 124 | 115 Ų | 115 | 81% | 0.805 | 64% | 0.635 | S | S | * | * | trans | -59.3 | 104.2 | 165.6 | -15.5 | 28.7 | 0 | 0 | 0 | 107.2 | E278 K282 | E278-P280 VanDerWaalsContact O-CD 3.32Å; E278-P280 WeakPolarHBondContact O-CD 3.46Å; P280-K282 PolarHBondContact O-N 3.5Å; P280-K282 VanDerWaalsContact O-N 3.11Å | ||
| 281 | S | 31.6 | Very low | 40.9 | Very low | 104 Ų | 104 | 118 Ų | 118 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | trans | -58 | 116.7 | -177 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | V279 | V279-S281 VanDerWaalsContact C-N 3.34Å; V279-S281 PolarHBondContact O-N 3.04Å | ||
| 282 | K | 31.5 | Very low | 38.9 | Very low | 176 Ų | 176 | 124.1 Ų | 124.1 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | trans | 59.2 | 92.3 | 158.4 | -62.7 | 175.2 | 178.8 | 175.4 | 0 | 114.6 | P280 R284 | P280-K282 PolarHBondContact O-N 3.5Å; P280-K282 VanDerWaalsContact O-N 3.11Å; K282-R284 PolarHBondContact O-N 3.28Å | ||
| 283 | I | 29.6 | Very low | 36.6 | Very low | 168 Ų | 168 | 129 Ų | 129 | 86% | 0.862 | 71% | 0.711 | S | S | * | * | trans | -60.9 | 93.8 | 147.3 | -57.5 | 171 | 0 | 0 | 0 | 106 | ||||
| 284 | R | 24.8 | Very low | 34.4 | Very low | 193 Ų | 193 | 131.6 Ų | 131.6 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | -66.4 | 131.2 | 170.6 | -79.1 | -177.7 | 174.8 | -178.3 | -1 | 107 | K282 S286 | K282-R284 PolarHBondContact O-N 3.28Å; R284-S286 PolarHBondContact O-N 3.33Å | ||
| 285 | P | 32.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -71.9 | 15.6 | -175.6 | -6.6 | 19.8 | 0 | 0 | 0 | 114.9 | ||
| 286 | S | 26.9 | Very low | 31.1 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -118.4 | 57.4 | -172.4 | 64 | 0 | 0 | 0 | 0 | 111.1 | R284 | R284-S286 PolarHBondContact O-N 3.33Š| ||
| 287 | E | 27.2 | Very low | 30 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -158.8 | 52.4 | 166.6 | -110.1 | 167.1 | -139.4 | 0 | 0 | 109 | A289 | E287-A289 VanDerWaalsContact C-N 3.27Š| ||
| 288 | T | 30.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -89.4 | 12.6 | 167.4 | 42.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 289 | A | 25.8 | Very low | 28.3 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -103.4 | 105.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E287 | E287-A289 VanDerWaalsContact C-N 3.27Š|
| 290 | A | 26.8 | Very low | 27.9 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 53.6 | 63.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | E292 | A290-E292 PolarHBondContact O-N 3.31Š| ||
| 291 | V | 26.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -81.2 | 94.5 | 152.6 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | I293 | V291-I293 PolarHBondContact O-N 2.91Š| ||
| 292 | E | 24.6 | Very low | 27.8 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -50.2 | 121.8 | 170.1 | -87.7 | -177.7 | 148.2 | 0 | 0 | 110.5 | A290 K294 | A290-E292 PolarHBondContact O-N 3.31Å; E292-K294 VanDerWaalsContact C-N 3.27Å; E292-K294 PolarHBondContact O-N 2.97Å | ||
| 293 | I | 25.9 | Very low | 27.9 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -67.8 | 84.6 | 177.3 | -59 | 166.2 | 0 | 0 | 0 | 107.8 | V291 A295 | V291-I293 PolarHBondContact O-N 2.91Å; I293-A295 VanDerWaalsContact C-N 3.32Å; I293-A295 PolarHBondContact O-N 2.95Å | ||
| 294 | K | 24.4 | Very low | 28.3 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | trans | -69 | 99.9 | 158.2 | -80.2 | -174.7 | 178.8 | 176.2 | 0 | 106.9 | E292 V296 | E292-K294 VanDerWaalsContact C-N 3.27Å; E292-K294 PolarHBondContact O-N 2.97Å; K294-V296 PolarHBondContact O-N 3.27Å | ||
| 295 | A | 26.3 | Very low | 29.4 | Very low | 74 Ų | 74 | 127 Ų | 127 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | trans | -44.2 | 102.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I293 T297 | I293-A295 VanDerWaalsContact C-N 3.32Å; I293-A295 PolarHBondContact O-N 2.95Å; A295-T297 HydrophobicContact CB-CG2 4.31Å; A295-T297 PolarHBondContact O-N 2.97Å | ||
| 296 | V | 25.1 | Very low | 30.7 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -72.4 | 82.3 | 163.6 | 179 | 0 | 0 | 0 | 0 | 106.6 | K294 N298 | K294-V296 PolarHBondContact O-N 3.27Å; V296-N298 VanDerWaalsContact C-N 3.3Å; V296-N298 PolarHBondContact O-N 2.95Å; V296-N298 VanDerWaalsContact O-N 3.1Å | ||
| 297 | T | 30.2 | Very low | 33.2 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | trans | -73.2 | 83.3 | 166.4 | 48.5 | 0 | 0 | 0 | 0 | 108.3 | A295 | A295-T297 HydrophobicContact CB-CG2 4.31Å; A295-T297 PolarHBondContact O-N 2.97Å | ||
| 298 | N | 27.4 | Very low | 35.9 | Very low | 125 Ų | 125 | 116.5 Ų | 116.5 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | trans | -176.3 | 79.8 | 156.6 | -96.8 | -26.4 | 0 | 0 | 0 | 111.1 | V296 | V296-N298 VanDerWaalsContact C-N 3.3Å; V296-N298 PolarHBondContact O-N 2.95Å; V296-N298 VanDerWaalsContact O-N 3.1Å | ||
| 299 | L | 28.3 | Very low | 38.5 | Very low | 156 Ų | 156 | 110 Ų | 110 | 82% | 0.817 | 63% | 0.627 | S | S | * | * | trans | -138.2 | 79.4 | 151.4 | -96.7 | 113.1 | 0 | 0 | 0 | 107.6 | N301 | L299-N301 PolarHBondContact O-N 2.8Š| ||
| 300 | N | 28.6 | Very low | 41.5 | Very low | 142 Ų | 142 | 106.7 Ų | 106.7 | 76% | 0.759 | 60% | 0.596 | S | S | * | * | trans | -65 | 108.7 | 165.6 | -70.6 | -35.8 | 0 | 0 | 0 | 108.1 | ||||
| 301 | N | 30.2 | Very low | 44.5 | Very low | 147 Ų | 147 | 102 Ų | 102 | 79% | 0.786 | 56% | 0.558 | S | S | * | * | trans | 52.8 | 92.1 | 159.8 | -65.8 | -17 | 0 | 0 | 0 | 118.2 | L299 | L299-N301 PolarHBondContact O-N 2.8Š| ||
| 302 | P | 30.6 | Very low | 47.6 | Very low | 96 Ų | 96 | 95.7 Ų | 95.7 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | trans | -63.1 | 138.9 | 151.1 | 29.5 | -30.5 | 0 | 0 | 0 | 108.9 | N304 | P302-N304 PolarHBondContact O-N 3.32Š| ||
| 303 | P | 33.8 | Very low | 50.8 | Low | 125 Ų | 125 | 89.7 Ų | 89.7 | 81% | 0.812 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -70.2 | 130 | -178.7 | 29.6 | -31.6 | 0 | 0 | 0 | 109.1 | ||
| 304 | N | 39.5 | Very low | 53.7 | Low | 100 Ų | 100 | 84.9 Ų | 84.9 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | trans | 60 | 90.9 | -177.9 | -73.6 | -24 | 0 | 0 | 0 | 115.1 | P302 R306 | P302-N304 PolarHBondContact O-N 3.32Å; N304-R306 VanDerWaalsContact C-N 3.34Å; N304-R306 PolarHBondContact O-N 3.06Å | ||
| 305 | P | 46.1 | Very low | 56.3 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | trans | -61.2 | 101.9 | 161.7 | 27.5 | -30.1 | 0 | 0 | 0 | 107.6 | L307 L474 | P305-L307 PolarHBondContact O-N 3.39Å; P305-L474 HydrophobicContact CG-CD2 4.47Å | ||
| 306 | R | 60.6 | Low | 58.3 | Low | 151 Ų | 151 | 78 Ų | 78 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | trans | -60.9 | 89.9 | 167.5 | -83.5 | -178 | 161.4 | -177.6 | -3.6 | 106.9 | N304 E308 | N304-R306 VanDerWaalsContact C-N 3.34Å; N304-R306 PolarHBondContact O-N 3.06Å; R306-E308 PolarHBondContact O-N 2.9Å; R306-E308 VanDerWaalsContact O-N 3.13Å | ||
| 307 | L | 78.4 | Confident | 60.2 | Low | 12 Ų | 12 | 79.7 Ų | 79.7 | 6% | 0.063 | 44% | 0.441 | C | S | . | . | trans | -70.1 | 110.4 | 175.8 | -179.3 | 65.2 | 0 | 0 | 0 | 108 | P305 R329 V330 I462 W463 T466 | P305-L307 PolarHBondContact O-N 3.39Å; L307-R329 WeakPolarHBondContact O-CA 3.34Å; L307-V330 HydrophobicContact CB-CB 4.49Å; L307-V330 HydrophobicContact CB-CG2 4.24Å; L307-V330 HydrophobicContact CD2-CG2 4.3Å; L307-V330 PolarHBondContact O-N 3.28Å; L307-I462 HydrophobicContact CD1-CG2 3.7Å; L307-W463 HydrophobicContact CD1-CD2 4.43Å; L307-W463 HydrophobicContact CD1-CZ2 4.45Å; L307-W463 HydrophobicContact CD2-CD2 3.87Å; L307-W463 HydrophobicContact CD2-CE3 3.5Å; L307-W463 HydrophobicContact CD2-CH2 4.26Å; L307-W463 HydrophobicContact CD2-CZ3 3.71Å; L307-W463 HydrophobicContact CG-CD2 4.21Å; L307-W463 HydrophobicContact CG-CE3 4.06Å; L307-W463 HydrophobicContact CG-CH2 3.95Å; L307-W463 HydrophobicContact CG-CZ2 4.12Å; L307-W463 HydrophobicContact CG-CZ3 3.92Å; L307-T466 HydrophobicContact CB-CG2 4.4Å; L307-T466 HydrophobicContact CD2-CG2 3.53Å | ||
| 308 | E | 83.9 | Confident | 61.5 | Low | 14 Ų | 14 | 84 Ų | 84 | 7% | 0.065 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 156.8 | 177.6 | 66.9 | -178.2 | 162 | 0 | 0 | 111.7 | A34 R306 W327 F328 R329 | A34-E308 HydrophobicContact CB-CG 4.04Å; R306-E308 PolarHBondContact O-N 2.9Å; R306-E308 VanDerWaalsContact O-N 3.13Å; E308-W327 HydrophobicContact CB-CZ2 4.36Å; E308-W327 HydrophobicContact CG-CZ2 3.98Å; E308-W327 PolarHBondContact OE2-NE1 2.88Å; E308-F328 CarbonylContact C-O 3.53Å; E308-F328 WeakPolarHBondContact CA-O 3.33Å; E308-F328 WeakPolarHBondContact CB-O 3.45Å; E308-R329 HydrophobicContact CB-CB 3.97Å; E308-R329 HydrophobicContact CB-CG 4.1Å; E308-R329 IonicContact OE1-NH2 2.63Å; E308-R329 IonicContact OE2-CZ 2.74Å; E308-R329 IonicContact OE2-NE 3.19Å; E308-R329 PolarHBondContact OE2-NE 3.28Å; E308-R329 IonicContact OE2-NH2 3.28Å; E308-R329 PolarHBondContact OE2-NH2 3Å |
| 309 | G | 85.7 | Confident | 63 | Low | 6 Ų | 6 | 81.9 Ų | 81.9 | 6% | 0.062 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | 177.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | F328 | G309-F328 PolarHBondContact N-O 3.37Å; G309-F328 PolarHBondContact O-N 3.48Å |
| 310 | Y | 88.5 | Confident | 63.8 | Low | 15 Ų | 15 | 83.3 Ų | 83.3 | 6% | 0.059 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 131 | 177.7 | -81.3 | -67.6 | 0 | 0 | 0 | 112 | D37 R325 R326 W327 R340 | D37-Y310 HydrophobicContact CB-CE2 4.1Å; D37-Y310 VanDerWaalsContact O-CE2 3.28Å; D37-Y310 WeakPolarHBondContact O-CE2 3.4Å; D37-Y310 PolarHBondContact O-OH 3.02Å; D37-Y310 WeakPolarHBondContact OD2-CE2 3.49Å; Y310-R325 HydrophobicContact CD1-CG 3.71Å; Y310-R325 HydrophobicContact CE1-CG 4.45Å; Y310-R325 HydrophobicContact CG-CG 4.18Å; Y310-R326 WeakPolarHBondContact CA-O 3.32Å; Y310-R326 WeakPolarHBondContact CD1-O 3.45Å; Y310-W327 HydrophobicContact CD1-CE3 4Å; Y310-W327 AromaticContact CD2-CE3 3.46Å; Y310-W327 HydrophobicContact CD2-CE3 3.46Å; Y310-W327 VanDerWaalsContact CD2-CE3 3.46Å; Y310-W327 AromaticContact CD2-CZ3 3.43Å; Y310-W327 HydrophobicContact CD2-CZ3 3.43Å; Y310-W327 VanDerWaalsContact CD2-CZ3 3.43Å; Y310-W327 HydrophobicContact CE1-CB 4.19Å; Y310-W327 AromaticContact CE1-CE3 3.89Å; Y310-W327 HydrophobicContact CE1-CE3 3.89Å; Y310-W327 AromaticContact CE2-CE3 3.34Å; Y310-W327 HydrophobicContact CE2-CE3 3.34Å; Y310-W327 AromaticContact CE2-CZ3 3.38Å; Y310-W327 HydrophobicContact CE2-CZ3 3.38Å; Y310-W327 AromaticContact CG-CE3 3.78Å; Y310-W327 HydrophobicContact CG-CE3 3.78Å; Y310-W327 HydrophobicContact CG-CZ3 4.14Å; Y310-W327 AromaticContact CZ-CE3 3.53Å; Y310-R340 PolarHBondContact OH-NH1 2.87Å |
| 311 | L | 90.9 | Very high | 65.6 | Low | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154 | 164.6 | -58.7 | 170.9 | 0 | 0 | 0 | 109.7 | R326 F328 F440 L452 Q453 A454 W463 | L311-R326 PolarHBondContact N-O 2.86Å; L311-R326 PolarHBondContact O-N 3.47Å; L311-F328 HydrophobicContact CB-CD2 3.55Å; L311-F328 HydrophobicContact CB-CE2 3.67Å; L311-F328 HydrophobicContact CB-CG 4.42Å; L311-F328 HydrophobicContact CD1-CB 4.22Å; L311-F328 HydrophobicContact CD1-CD2 3.91Å; L311-F328 HydrophobicContact CD1-CE2 4.44Å; L311-F328 HydrophobicContact CD1-CG 3.95Å; L311-F328 HydrophobicContact CG-CD2 3.95Å; L311-F328 HydrophobicContact CG-CE2 4.49Å; L311-F328 HydrophobicContact CG-CG 4.41Å; L311-F440 HydrophobicContact CD1-CZ 3.95Å; L311-F440 HydrophobicContact CD2-CE1 4.22Å; L311-F440 HydrophobicContact CD2-CZ 4.34Å; L311-L452 HydrophobicContact CD1-CB 4.46Å; L311-L452 HydrophobicContact CD1-CD1 3.98Å; L311-Q453 WeakPolarHBondContact CA-O 3.33Å; L311-Q453 WeakPolarHBondContact CD2-O 3.36Å; L311-A454 HydrophobicContact CD2-CB 4.12Å; L311-W463 HydrophobicContact CD1-CD2 3.83Å; L311-W463 HydrophobicContact CD1-CE3 4.05Å; L311-W463 HydrophobicContact CD1-CG 4.34Å; L311-W463 HydrophobicContact CD1-CH2 4.29Å; L311-W463 HydrophobicContact CD1-CZ2 4.05Å; L311-W463 HydrophobicContact CD1-CZ3 4.29Å; L311-W463 HydrophobicContact CD2-CD2 4.36Å; L311-W463 HydrophobicContact CD2-CG 4.19Å; L311-W463 HydrophobicContact CG-CD2 4.45Å; L311-W463 HydrophobicContact CG-CZ2 4.27Å |
| 312 | F | 91.5 | Very high | 68 | Low | 2 Ų | 2 | 81.4 Ų | 81.4 | 1% | 0.009 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.3 | 165.4 | -62.2 | -102.1 | 0 | 0 | 0 | 110.3 | V172 N173 A176 W323 S324 R325 L452 Q453 | V172-F312 HydrophobicContact CG1-CE2 4.11Å; V172-F312 HydrophobicContact CG1-CZ 4.04Å; N173-F312 WeakPolarHBondContact OD1-CE1 3.48Å; A176-F312 HydrophobicContact CB-CD2 4.02Å; A176-F312 HydrophobicContact CB-CE1 4.26Å; A176-F312 HydrophobicContact CB-CE2 3.46Å; A176-F312 VanDerWaalsContact CB-CE2 3.46Å; A176-F312 HydrophobicContact CB-CZ 3.6Å; F312-W323 HydrophobicContact CB-CE3 3.86Å; F312-S324 WeakPolarHBondContact CA-O 3.42Å; F312-R325 HydrophobicContact CD1-CB 3.92Å; F312-R325 HydrophobicContact CE1-CB 3.69Å; F312-R325 HydrophobicContact CE1-CG 4.2Å; F312-R325 HydrophobicContact CE2-CG 4.34Å; F312-R325 HydrophobicContact CZ-CB 4.1Å; F312-R325 HydrophobicContact CZ-CG 4.09Å; F312-L452 CarbonylContact O-C 3.4Å; F312-L452 WeakPolarHBondContact O-CA 3.42Å; F312-Q453 HydrophobicContact CB-CB 3.86Å; F312-Q453 HydrophobicContact CD2-CB 4.42Å; F312-Q453 PolarHBondContact N-O 3.02Å; F312-Q453 PolarHBondContact O-N 3.23Å |
| 313 | K | 90.7 | Very high | 70.6 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 18% | 0.178 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.1 | 174.8 | 179.7 | 172.2 | 177.9 | -72.4 | 0 | 110.7 | W323 S324 F328 Y337 M402 L452 | K313-W323 WeakPolarHBondContact O-CA 3.29Å; K313-S324 PolarHBondContact N-O 2.99Å; K313-S324 PolarHBondContact O-N 2.91Å; K313-F328 HydrophobicContact CB-CZ 4.03Å; K313-F328 HydrophobicContact CD-CZ 4.07Å; K313-Y337 HydrophobicContact CD-CE1 4.44Å; K313-M402 HydrophobicContact CD-SD 3.98Å; K313-L452 HydrophobicContact CB-CD2 3.89Å; K313-L452 HydrophobicContact CG-CD2 4.02Å |
| 314 | R | 87.2 | Confident | 73.2 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 142.7 | 172.6 | -158.3 | 172.4 | 77 | -177 | 4.7 | 111.6 | W323 Y451 | R314-W323 HydrophobicContact CB-CD2 4.09Å; R314-W323 HydrophobicContact CB-CE3 4.02Å; R314-W323 HydrophobicContact CB-CH2 4.1Å; R314-W323 HydrophobicContact CB-CZ2 4.15Å; R314-W323 HydrophobicContact CB-CZ3 4.02Å; R314-W323 HydrophobicContact CG-CD2 4.19Å; R314-W323 HydrophobicContact CG-CZ2 4.1Å; R314-Y451 PolarHBondContact N-O 3.39Å |
| 315 | S | 80 | Confident | 75.6 | Confident | 31 Ų | 31 | 72 Ų | 72 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | trans | -65.8 | 136.7 | 171.1 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | W320 T322 | S315-W320 PolarHBondContact OG-O 2.78Å; S315-T322 PolarHBondContact N-O 2.83Å; S315-T322 PolarHBondContact OG-N 2.65Å; S315-T322 PolarHBondContact OG-O 3.16Å; S315-T322 PolarHBondContact OG-OG1 3.5Å | ||
| 316 | G | 67.3 | Low | 77.8 | Confident | 79 Ų | 79 | 70.9 Ų | 70.9 | 81% | 0.814 | 35% | 0.352 | S | S | * | . | trans | -86.5 | -4.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K318 | G316-K318 PolarHBondContact O-N 3.4Š| ||
| 317 | K | 66 | Low | 79.2 | Confident | 167 Ų | 167 | 63.7 Ų | 63.7 | 73% | 0.726 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -73.3 | 122.6 | -178.5 | -70.6 | -173.4 | 177.7 | -176.9 | 0 | 110.1 | G319 W320 | K317-G319 PolarHBondContact O-N 2.77Å; K317-W320 PolarHBondContact O-N 2.66Å; K317-W320 VanDerWaalsContact O-O 3.14Å |
| 318 | K | 56.7 | Low | 79.8 | Confident | 208 Ų | 208 | 63.1 Ų | 63.1 | 90% | 0.904 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 131.3 | 173.6 | -73.5 | -177.2 | 175.7 | -179.5 | 0 | 109.5 | G316 | G316-K318 PolarHBondContact O-N 3.4Š|
| 319 | G | 57.9 | Low | 79.8 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 83% | 0.825 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | -15 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | K317 | K317-G319 PolarHBondContact O-N 2.77Š|
| 320 | W | 45.9 | Very low | 79.7 | Confident | 187 Ų | 187 | 63.9 Ų | 63.9 | 71% | 0.708 | 32% | 0.323 | S | S | * | . | trans | -126.4 | 107.1 | -179.2 | -60 | 79.9 | 0 | 0 | 0 | 109.3 | S315 K317 | S315-W320 PolarHBondContact OG-O 2.78Å; K317-W320 PolarHBondContact O-N 2.66Å; K317-W320 VanDerWaalsContact O-O 3.14Å | ||
| 321 | R | 65.8 | Low | 79.1 | Confident | 171 Ų | 171 | 67 Ų | 67 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | trans | -104.9 | 61.2 | -178.8 | -65.4 | -176.2 | -178.2 | 133.8 | -1.2 | 111.5 | N432 | R321-N432 PolarHBondContact NH1-ND2 2.96Š| ||
| 322 | T | 80.3 | Confident | 78.4 | Confident | 77 Ų | 77 | 74 Ų | 74 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | trans | -89.3 | 139.8 | 177 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | S315 | S315-T322 PolarHBondContact N-O 2.83Å; S315-T322 PolarHBondContact OG-N 2.65Å; S315-T322 PolarHBondContact OG-O 3.16Å; S315-T322 PolarHBondContact OG-OG1 3.5Å | ||
| 323 | W | 87 | Confident | 77.8 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 19% | 0.193 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.9 | 171.2 | -69 | 84.3 | 0 | 0 | 0 | 109.3 | F312 K313 R314 R436 V439 Q453 | F312-W323 HydrophobicContact CB-CE3 3.86Å; K313-W323 WeakPolarHBondContact O-CA 3.29Å; R314-W323 HydrophobicContact CB-CD2 4.09Å; R314-W323 HydrophobicContact CB-CE3 4.02Å; R314-W323 HydrophobicContact CB-CH2 4.1Å; R314-W323 HydrophobicContact CB-CZ2 4.15Å; R314-W323 HydrophobicContact CB-CZ3 4.02Å; R314-W323 HydrophobicContact CG-CD2 4.19Å; R314-W323 HydrophobicContact CG-CZ2 4.1Å; W323-R436 VanDerWaalsContact CB-NH1 3.35Å; W323-R436 VanDerWaalsContact CD1-NE 3.34Å; W323-V439 HydrophobicContact CH2-CG1 3.88Å; W323-V439 HydrophobicContact CH2-CG2 3.93Å; W323-V439 HydrophobicContact CZ2-CG2 4.42Å; W323-Q453 HydrophobicContact CE3-CB 4.35Å; W323-Q453 HydrophobicContact CZ3-CB 3.91Å |
| 324 | S | 87.8 | Confident | 77.5 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128 | 179.3 | -58 | 0 | 0 | 0 | 0 | 110.4 | F312 K313 | F312-S324 WeakPolarHBondContact CA-O 3.42Å; K313-S324 PolarHBondContact N-O 2.99Å; K313-S324 PolarHBondContact O-N 2.91Å |
| 325 | R | 90.3 | Very high | 77.6 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 131 | 173.5 | -162.7 | 176.8 | 176.6 | -163.8 | -0.1 | 110.2 | D169 Y310 F312 | D169-R325 IonicContact OD1-CZ 3.23Å; D169-R325 IonicContact OD1-NH1 3.02Å; D169-R325 PolarHBondContact OD1-NH1 3.42Å; Y310-R325 HydrophobicContact CD1-CG 3.71Å; Y310-R325 HydrophobicContact CE1-CG 4.45Å; Y310-R325 HydrophobicContact CG-CG 4.18Å; F312-R325 HydrophobicContact CD1-CB 3.92Å; F312-R325 HydrophobicContact CE1-CB 3.69Å; F312-R325 HydrophobicContact CE1-CG 4.2Å; F312-R325 HydrophobicContact CE2-CG 4.34Å; F312-R325 HydrophobicContact CZ-CB 4.1Å; F312-R325 HydrophobicContact CZ-CG 4.09Å |
| 326 | R | 90.7 | Very high | 78 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 150.1 | -179.5 | -60.2 | -67.3 | 175.4 | -130.6 | 5.7 | 109.8 | Y310 L311 F328 Y337 | Y310-R326 WeakPolarHBondContact CA-O 3.32Å; Y310-R326 WeakPolarHBondContact CD1-O 3.45Å; L311-R326 PolarHBondContact N-O 2.86Å; L311-R326 PolarHBondContact O-N 3.47Å; R326-F328 HydrophobicContact CB-CD2 4.31Å; R326-F328 HydrophobicContact CB-CE2 3.69Å; R326-F328 HydrophobicContact CB-CZ 4.28Å; R326-F328 VanDerWaalsContact O-CD2 3.3Å; R326-F328 WeakPolarHBondContact O-CD2 3.47Å; R326-Y337 HydrophobicContact CB-CD2 3.95Å; R326-Y337 HydrophobicContact CG-CD2 3.89Å; R326-Y337 HydrophobicContact CG-CE2 4.32Å |
| 327 | W | 90.2 | Very high | 79.2 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.3 | 172.2 | -168.4 | -95.1 | 0 | 0 | 0 | 109 | A34 P39 E308 Y310 Y337 C338 W399 | A34-W327 HydrophobicContact CB-CH2 4.21Å; A34-W327 HydrophobicContact CB-CZ2 4.27Å; A34-W327 WeakPolarHBondContact O-CH2 3.29Å; P39-W327 VanDerWaalsContact CD-CD2 3.45Å; P39-W327 VanDerWaalsContact CD-CE2 3.5Å; P39-W327 HydrophobicContact CG-CB 3.85Å; P39-W327 HydrophobicContact CG-CD2 4.05Å; P39-W327 HydrophobicContact CG-CG 3.55Å; E308-W327 HydrophobicContact CB-CZ2 4.36Å; E308-W327 HydrophobicContact CG-CZ2 3.98Å; E308-W327 PolarHBondContact OE2-NE1 2.88Å; Y310-W327 HydrophobicContact CD1-CE3 4Å; Y310-W327 AromaticContact CD2-CE3 3.46Å; Y310-W327 HydrophobicContact CD2-CE3 3.46Å; Y310-W327 VanDerWaalsContact CD2-CE3 3.46Å; Y310-W327 AromaticContact CD2-CZ3 3.43Å; Y310-W327 HydrophobicContact CD2-CZ3 3.43Å; Y310-W327 VanDerWaalsContact CD2-CZ3 3.43Å; Y310-W327 HydrophobicContact CE1-CB 4.19Å; Y310-W327 AromaticContact CE1-CE3 3.89Å; Y310-W327 HydrophobicContact CE1-CE3 3.89Å; Y310-W327 AromaticContact CE2-CE3 3.34Å; Y310-W327 HydrophobicContact CE2-CE3 3.34Å; Y310-W327 AromaticContact CE2-CZ3 3.38Å; Y310-W327 HydrophobicContact CE2-CZ3 3.38Å; Y310-W327 AromaticContact CG-CE3 3.78Å; Y310-W327 HydrophobicContact CG-CE3 3.78Å; Y310-W327 HydrophobicContact CG-CZ3 4.14Å; Y310-W327 AromaticContact CZ-CE3 3.53Å; W327-Y337 CarbonylContact O-C 3.49Å; W327-Y337 WeakPolarHBondContact O-CA 3.34Å; W327-Y337 VanDerWaalsContact O-CB 3.25Å; W327-Y337 WeakPolarHBondContact O-CB 3.38Å; W327-C338 PolarHBondContact N-O 3.18Å; W327-C338 PolarHBondContact O-N 2.83Å; W327-W399 AromaticContact CD1-CH2 3.78Å |
| 328 | F | 90.7 | Very high | 80.4 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 147 | 176 | -73.5 | -96.9 | 0 | 0 | 0 | 109.8 | E308 G309 L311 K313 R326 L335 V336 Y337 M402 L452 W463 | E308-F328 CarbonylContact C-O 3.53Å; E308-F328 WeakPolarHBondContact CA-O 3.33Å; E308-F328 WeakPolarHBondContact CB-O 3.45Å; G309-F328 PolarHBondContact N-O 3.37Å; G309-F328 PolarHBondContact O-N 3.48Å; L311-F328 HydrophobicContact CB-CD2 3.55Å; L311-F328 HydrophobicContact CB-CE2 3.67Å; L311-F328 HydrophobicContact CB-CG 4.42Å; L311-F328 HydrophobicContact CD1-CB 4.22Å; L311-F328 HydrophobicContact CD1-CD2 3.91Å; L311-F328 HydrophobicContact CD1-CE2 4.44Å; L311-F328 HydrophobicContact CD1-CG 3.95Å; L311-F328 HydrophobicContact CG-CD2 3.95Å; L311-F328 HydrophobicContact CG-CE2 4.49Å; L311-F328 HydrophobicContact CG-CG 4.41Å; K313-F328 HydrophobicContact CB-CZ 4.03Å; K313-F328 HydrophobicContact CD-CZ 4.07Å; R326-F328 HydrophobicContact CB-CD2 4.31Å; R326-F328 HydrophobicContact CB-CE2 3.69Å; R326-F328 HydrophobicContact CB-CZ 4.28Å; R326-F328 VanDerWaalsContact O-CD2 3.3Å; R326-F328 WeakPolarHBondContact O-CD2 3.47Å; F328-L335 HydrophobicContact CB-CD1 4.37Å; F328-L335 HydrophobicContact CD1-CD1 4.08Å; F328-L335 HydrophobicContact CD1-CG 4.22Å; F328-V336 WeakPolarHBondContact CA-O 3.34Å; F328-Y337 HydrophobicContact CD1-CG 4.45Å; F328-Y337 HydrophobicContact CE1-CD1 4.01Å; F328-Y337 AromaticContact CE1-CG 3.9Å; F328-Y337 HydrophobicContact CE1-CG 3.9Å; F328-Y337 HydrophobicContact CZ-CD1 4.47Å; F328-Y337 HydrophobicContact CZ-CG 4.07Å; F328-M402 HydrophobicContact CD1-CE 4.09Å; F328-M402 HydrophobicContact CE1-CE 3.52Å; F328-M402 HydrophobicContact CE1-SD 3.83Å; F328-M402 HydrophobicContact CZ-CE 4.5Å; F328-M402 HydrophobicContact CZ-SD 4.47Å; F328-L452 HydrophobicContact CE1-CD2 4.2Å; F328-L452 HydrophobicContact CE2-CD2 4.46Å; F328-L452 HydrophobicContact CZ-CD2 3.82Å; F328-W463 HydrophobicContact CB-CH2 3.58Å; F328-W463 HydrophobicContact CB-CZ2 4.07Å; F328-W463 HydrophobicContact CB-CZ3 4.32Å |
| 329 | R | 85.7 | Confident | 81.8 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 141.1 | 171.1 | 177.8 | -175.8 | -69.4 | 175.7 | -5.7 | 109 | E40 L307 E308 H331 V336 W399 | E40-R329 IonicContact OE1-CZ 3.39Å; E40-R329 IonicContact OE1-NH1 2.93Å; E40-R329 PolarHBondContact OE1-NH1 2.98Å; E40-R329 IonicContact OE1-NH2 3.41Å; E40-R329 PolarHBondContact OE1-NH2 3.14Å; L307-R329 WeakPolarHBondContact O-CA 3.34Å; E308-R329 HydrophobicContact CB-CB 3.97Å; E308-R329 HydrophobicContact CB-CG 4.1Å; E308-R329 IonicContact OE1-NH2 2.63Å; E308-R329 IonicContact OE2-CZ 2.74Å; E308-R329 IonicContact OE2-NE 3.19Å; E308-R329 PolarHBondContact OE2-NE 3.28Å; E308-R329 IonicContact OE2-NH2 3.28Å; E308-R329 PolarHBondContact OE2-NH2 3Å; R329-H331 HydrophobicContact CG-CB 4.31Å; R329-V336 HydrophobicContact CB-CG2 4.21Å; R329-V336 PolarHBondContact N-O 2.91Å; R329-V336 VanDerWaalsContact O-CG2 3.29Å; R329-V336 WeakPolarHBondContact O-CG2 3.37Å; R329-V336 PolarHBondContact O-N 3.01Å; R329-W399 HydrophobicContact CB-CH2 3.76Å; R329-W399 HydrophobicContact CB-CZ3 3.8Å |
| 330 | V | 82.6 | Confident | 83 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.7 | 164.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | L307 Q334 L335 L406 W463 F471 | L307-V330 HydrophobicContact CB-CB 4.49Å; L307-V330 HydrophobicContact CB-CG2 4.24Å; L307-V330 HydrophobicContact CD2-CG2 4.3Å; L307-V330 PolarHBondContact O-N 3.28Å; V330-Q334 WeakPolarHBondContact CA-O 3.45Å; V330-L335 HydrophobicContact CG2-CD1 4.02Å; V330-L406 HydrophobicContact CG1-CD1 3.62Å; V330-L406 HydrophobicContact CG2-CD1 4.45Å; V330-W463 HydrophobicContact CG2-CZ3 4.17Å; V330-F471 HydrophobicContact CG1-CD2 3.91Å; V330-F471 HydrophobicContact CG1-CE2 3.56Å |
| 331 | H | 75 | Confident | 84.8 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 130.1 | -178.9 | -170.5 | 59.2 | 0 | 0 | 0 | 109.5 | R329 N333 Q334 V336 | R329-H331 HydrophobicContact CG-CB 4.31Å; H331-N333 PolarHBondContact O-N 3.21Å; H331-Q334 PolarHBondContact N-O 3.26Å; H331-Q334 WeakPolarHBondContact O-CA 3.27Å; H331-Q334 WeakPolarHBondContact O-CB 3.36Å; H331-Q334 PolarHBondContact O-N 3Å; H331-V336 HydrophobicContact CB-CG2 4.38Å |
| 332 | E | 76.2 | Confident | 85.6 | Confident | 148 Ų | 148 | 48.6 Ų | 48.6 | 69% | 0.692 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 45.9 | 176 | -60.5 | -177.4 | 163.3 | 0 | 0 | 114.5 | Q334 | E332-Q334 PolarHBondContact O-N 3.35Å; E332-Q334 VanDerWaalsContact O-N 3.12Å |
| 333 | N | 79.4 | Confident | 85.8 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 17.7 | -176.3 | -175.4 | 58.5 | 0 | 0 | 0 | 114 | H331 D405 L406 | H331-N333 PolarHBondContact O-N 3.21Å; N333-D405 PolarHBondContact ND2-OD1 3.4Å; N333-L406 WeakPolarHBondContact O-CG 3.15Å; N333-L406 PolarHBondContact O-N 3.27Å; N333-L406 WeakPolarHBondContact OD1-CB 3.26Å; N333-L406 PolarHBondContact OD1-N 3.3Å |
| 334 | Q | 84.4 | Confident | 85.8 | Confident | 60 Ų | 60 | 43.5 Ų | 43.5 | 28% | 0.28 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148.4 | 173.4 | -51.2 | -171.3 | 2.8 | 0 | 0 | 110.7 | V330 H331 E332 V336 V401 V403 | V330-Q334 WeakPolarHBondContact CA-O 3.45Å; H331-Q334 PolarHBondContact N-O 3.26Å; H331-Q334 WeakPolarHBondContact O-CA 3.27Å; H331-Q334 WeakPolarHBondContact O-CB 3.36Å; H331-Q334 PolarHBondContact O-N 3Å; E332-Q334 PolarHBondContact O-N 3.35Å; E332-Q334 VanDerWaalsContact O-N 3.12Å; Q334-V336 HydrophobicContact CB-CG1 4.09Å; Q334-V401 VanDerWaalsContact OE1-CG2 3.31Å; Q334-V403 CarbonylContact C-O 3.49Å; Q334-V403 VanDerWaalsContact CA-O 3.27Å; Q334-V403 WeakPolarHBondContact CA-O 3.17Å; Q334-V403 WeakPolarHBondContact CB-O 3.46Å |
| 335 | L | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108.7 | 164.4 | -177.3 | 60.2 | 0 | 0 | 0 | 108.3 | F328 V330 M402 V403 L406 W463 L467 | F328-L335 HydrophobicContact CB-CD1 4.37Å; F328-L335 HydrophobicContact CD1-CD1 4.08Å; F328-L335 HydrophobicContact CD1-CG 4.22Å; V330-L335 HydrophobicContact CG2-CD1 4.02Å; L335-M402 HydrophobicContact CD2-CE 3.19Å; L335-M402 HydrophobicContact CG-CE 3.72Å; L335-M402 WeakPolarHBondContact O-CB 3.49Å; L335-M402 PolarHBondContact O-N 3.08Å; L335-V403 HydrophobicContact CB-CB 4.12Å; L335-V403 HydrophobicContact CB-CG2 4.47Å; L335-V403 PolarHBondContact N-O 2.83Å; L335-V403 PolarHBondContact O-N 3.42Å; L335-V403 VanDerWaalsContact O-N 3.17Å; L335-L406 HydrophobicContact CB-CD1 4.5Å; L335-L406 HydrophobicContact CB-CD2 4.04Å; L335-W463 HydrophobicContact CD1-CH2 4.41Å; L335-W463 HydrophobicContact CD1-CZ3 3.83Å; L335-L467 HydrophobicContact CD2-CD1 4.39Å; L335-L467 HydrophobicContact CD2-CD2 4.11Å |
| 336 | V | 89.1 | Confident | 85.6 | Confident | 12 Ų | 12 | 47 Ų | 47 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 153.7 | -178.7 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | F328 R329 H331 Q334 W399 T400 V401 | F328-V336 WeakPolarHBondContact CA-O 3.34Å; R329-V336 HydrophobicContact CB-CG2 4.21Å; R329-V336 PolarHBondContact N-O 2.91Å; R329-V336 VanDerWaalsContact O-CG2 3.29Å; R329-V336 WeakPolarHBondContact O-CG2 3.37Å; R329-V336 PolarHBondContact O-N 3.01Å; H331-V336 HydrophobicContact CB-CG2 4.38Å; Q334-V336 HydrophobicContact CB-CG1 4.09Å; V336-W399 HydrophobicContact CB-CE3 3.88Å; V336-W399 HydrophobicContact CG2-CD2 4.18Å; V336-W399 HydrophobicContact CG2-CE3 3.45Å; V336-W399 VanDerWaalsContact CG2-CE3 3.45Å; V336-W399 HydrophobicContact CG2-CZ3 3.76Å; V336-T400 WeakPolarHBondContact CA-O 3.09Å; V336-V401 HydrophobicContact CG1-CG2 4.13Å |
| 337 | Y | 92.5 | Very high | 85.4 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 152.2 | 172.5 | 71.3 | -80.9 | 0 | 0 | 0 | 111.8 | K313 R326 W327 F328 T400 M402 | K313-Y337 HydrophobicContact CD-CE1 4.44Å; R326-Y337 HydrophobicContact CB-CD2 3.95Å; R326-Y337 HydrophobicContact CG-CD2 3.89Å; R326-Y337 HydrophobicContact CG-CE2 4.32Å; W327-Y337 CarbonylContact O-C 3.49Å; W327-Y337 WeakPolarHBondContact O-CA 3.34Å; W327-Y337 VanDerWaalsContact O-CB 3.25Å; W327-Y337 WeakPolarHBondContact O-CB 3.38Å; F328-Y337 HydrophobicContact CD1-CG 4.45Å; F328-Y337 HydrophobicContact CE1-CD1 4.01Å; F328-Y337 AromaticContact CE1-CG 3.9Å; F328-Y337 HydrophobicContact CE1-CG 3.9Å; F328-Y337 HydrophobicContact CZ-CD1 4.47Å; F328-Y337 HydrophobicContact CZ-CG 4.07Å; Y337-T400 WeakPolarHBondContact CD1-O 3.46Å; Y337-T400 HydrophobicContact CE1-CG2 3.75Å; Y337-T400 PolarHBondContact N-O 3.49Å; Y337-T400 PolarHBondContact O-N 3.42Å; Y337-M402 HydrophobicContact CD1-CB 3.86Å; Y337-M402 HydrophobicContact CE1-CB 3.92Å |
| 338 | C | 90.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 158.8 | 172.1 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | P39 W327 P397 Q398 W399 | P39-C338 VanDerWaalsContact CG-SG 3.57Å; W327-C338 PolarHBondContact N-O 3.18Å; W327-C338 PolarHBondContact O-N 2.83Å; C338-P397 HydrophobicContact CB-CB 4.28Å; C338-Q398 WeakPolarHBondContact CA-O 3.31Å; C338-Q398 VanDerWaalsContact CB-O 3.25Å; C338-Q398 WeakPolarHBondContact CB-O 3.36Å; C338-W399 HydrophobicContact CB-CD2 4.29Å; C338-W399 HydrophobicContact CB-CE3 4.1Å; C338-W399 HydrophobicContact CB-CZ3 4.46Å |
| 339 | K | 87.1 | Confident | 85.3 | Confident | 153 Ų | 153 | 52 Ų | 52 | 67% | 0.665 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 145.4 | 167.6 | -66.2 | -177.7 | -177.1 | 171.2 | 0 | 108.2 | F341 | K339-F341 PolarHBondContact O-N 3.21Š|
| 340 | R | 82.6 | Confident | 85.5 | Confident | 26 Ų | 26 | 55 Ų | 55 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 135.4 | 171.3 | 177 | 176.8 | 178.4 | 79.4 | -5.8 | 110 | D37 H42 Y165 Y310 | D37-R340 IonicContact OD1-CZ 3.05Å; D37-R340 IonicContact OD1-NH1 2.76Å; D37-R340 PolarHBondContact OD1-NH1 2.87Å; D37-R340 IonicContact OD1-NH2 3.68Å; D37-R340 PolarHBondContact OD1-NH2 3.43Å; D37-R340 IonicContact OD2-CZ 3.53Å; D37-R340 VanDerWaalsContact OD2-CZ 3.31Å; D37-R340 IonicContact OD2-NH1 2.79Å; D37-R340 PolarHBondContact OD2-NH1 2.94Å; D37-R340 IonicContact OD2-NH2 3.33Å; D37-R340 PolarHBondContact OD2-NH2 3.32Å; H42-R340 PolarHBondContact CE1-NH2 3.49Å; H42-R340 VanDerWaalsContact NE2-CZ 3.25Å; H42-R340 PolarHBondContact NE2-NH1 2.9Å; H42-R340 PolarHBondContact NE2-NH2 3.04Å; Y165-R340 VanDerWaalsContact CE1-NH2 3.29Å; Y165-R340 WeakPolarHBondContact OH-CD 2.88Å; Y165-R340 PolarHBondContact OH-NE 3.42Å; Y310-R340 PolarHBondContact OH-NH1 2.87Å |
| 341 | F | 84.4 | Confident | 85.7 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 126 | 164.2 | 179.9 | -117.6 | 0 | 0 | 0 | 108.5 | H42 A46 K339 G343 L344 Q394 A395 | H42-F341 HydrophobicContact CB-CD1 4.14Å; A46-F341 HydrophobicContact CB-CE1 4.23Å; K339-F341 PolarHBondContact O-N 3.21Å; F341-G343 VanDerWaalsContact CE1-CA 3.45Å; F341-G343 PolarHBondContact O-N 2.93Å; F341-L344 HydrophobicContact CZ-CD2 3.95Å; F341-L344 HydrophobicContact CZ-CG 4.19Å; F341-Q394 WeakPolarHBondContact CD2-O 3.22Å; F341-Q394 HydrophobicContact CE2-CB 4.03Å; F341-A395 HydrophobicContact CD1-CB 3.99Å; F341-A395 HydrophobicContact CE1-CB 3.6Å; F341-A395 HydrophobicContact CZ-CB 3.92Å |
| 342 | H | 81.7 | Confident | 86.2 | Confident | 129 Ų | 129 | 51.3 Ų | 51.3 | 60% | 0.597 | 26% | 0.264 | S | S | * | . | trans | -80.3 | 6.7 | -174.3 | -71.4 | -81.2 | 0 | 0 | 0 | 113.8 | ||||
| 343 | G | 84.5 | Confident | 86.8 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | trans | 81.6 | 167.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F341 | F341-G343 VanDerWaalsContact CE1-CA 3.45Å; F341-G343 PolarHBondContact O-N 2.93Å | ||
| 344 | L | 87.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | trans | -71.7 | 146.5 | 172.2 | -63.6 | 170.1 | 0 | 0 | 0 | 109.3 | A46 L50 R158 F341 D348 L349 L391 | A46-L344 HydrophobicContact CB-CD1 4.07Å; A46-L344 HydrophobicContact CB-CG 4.36Å; L50-L344 HydrophobicContact CD1-CD1 4.14Å; L50-L344 HydrophobicContact CD2-CD1 3.95Å; L50-L344 HydrophobicContact CG-CD1 3.74Å; R158-L344 PolarHBondContact NH2-O 3.25Å; F341-L344 HydrophobicContact CZ-CD2 3.95Å; F341-L344 HydrophobicContact CZ-CG 4.19Å; L344-D348 HydrophobicContact CB-CB 4.25Å; L344-D348 HydrophobicContact CD2-CB 4.38Å; L344-L349 HydrophobicContact CB-CD2 3.94Å; L344-L349 HydrophobicContact CB-CG 4.19Å; L344-L349 HydrophobicContact CD1-CD2 3.68Å; L344-L349 HydrophobicContact CG-CD2 4.46Å; L344-L391 HydrophobicContact CD2-CB 3.98Å; L344-L391 HydrophobicContact CD2-CD2 3.97Å; L344-L391 HydrophobicContact CD2-CG 4.38Å | ||
| 345 | T | 88.4 | Confident | 87.2 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | trans | -79.7 | 161 | 173.7 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | T347 D348 L349 | T345-T347 PolarHBondContact O-N 3.08Å; T345-T347 PolarHBondContact OG1-OG1 3.23Å; T345-D348 WeakPolarHBondContact CB-OD2 3.27Å; T345-D348 PolarHBondContact N-OD2 3.35Å; T345-D348 WeakPolarHBondContact O-CB 3.42Å; T345-D348 PolarHBondContact O-N 2.95Å; T345-D348 VanDerWaalsContact O-N 3.08Å; T345-D348 PolarHBondContact OG1-N 3.32Å; T345-D348 PolarHBondContact OG1-OD1 3.39Å; T345-D348 PolarHBondContact OG1-OD2 3.39Å; T345-L349 WeakPolarHBondContact O-CG 3.43Å; T345-L349 PolarHBondContact O-N 3.37Å; T345-L349 VanDerWaalsContact O-N 3.08Å | ||
| 346 | S | 85.9 | Confident | 86.8 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 57% | 0.573 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -58.3 | -34.4 | 173 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | L349 Q350 | S346-L349 PolarHBondContact O-N 2.89Å; S346-Q350 WeakPolarHBondContact O-CB 3.43Å; S346-Q350 PolarHBondContact O-N 3.31Å |
| 347 | T | 86.5 | Confident | 86.5 | Confident | 99 Ų | 99 | 44.7 Ų | 44.7 | 61% | 0.607 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.4 | -43.5 | 173 | 43.3 | 0 | 0 | 0 | 0 | 112 | T345 L349 Q350 S351 | T345-T347 PolarHBondContact O-N 3.08Å; T345-T347 PolarHBondContact OG1-OG1 3.23Å; T347-L349 VanDerWaalsContact C-N 3.3Å; T347-L349 PolarHBondContact O-N 2.93Å; T347-Q350 PolarHBondContact O-N 3.05Å; T347-S351 WeakPolarHBondContact O-CB 3.14Å; T347-S351 PolarHBondContact O-N 2.83Å; T347-S351 PolarHBondContact O-OG 3.49Å; T347-S351 VanDerWaalsContact O-OG 3.05Å |
| 348 | D | 89.3 | Confident | 85.9 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | 176.6 | -63.6 | -41.9 | 0 | 0 | 0 | 111.5 | L344 T345 A352 L391 | L344-D348 HydrophobicContact CB-CB 4.25Å; L344-D348 HydrophobicContact CD2-CB 4.38Å; T345-D348 WeakPolarHBondContact CB-OD2 3.27Å; T345-D348 PolarHBondContact N-OD2 3.35Å; T345-D348 WeakPolarHBondContact O-CB 3.42Å; T345-D348 PolarHBondContact O-N 2.95Å; T345-D348 VanDerWaalsContact O-N 3.08Å; T345-D348 PolarHBondContact OG1-N 3.32Å; T345-D348 PolarHBondContact OG1-OD1 3.39Å; T345-D348 PolarHBondContact OG1-OD2 3.39Å; D348-A352 VanDerWaalsContact O-CB 3.24Å; D348-A352 WeakPolarHBondContact O-CB 3.26Å; D348-A352 PolarHBondContact O-N 2.98Å; D348-L391 HydrophobicContact CB-CD1 4.35Å; D348-L391 HydrophobicContact CB-CD2 4.11Å |
| 349 | L | 89.9 | Confident | 85.3 | Confident | 23 Ų | 23 | 49 Ų | 49 | 12% | 0.12 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 178.5 | -63.6 | 179.5 | 0 | 0 | 0 | 112.5 | E49 L50 C53 L344 T345 S346 T347 T353 | E49-L349 HydrophobicContact CB-CD1 4.48Å; E49-L349 HydrophobicContact CB-CD2 3.78Å; L50-L349 HydrophobicContact CD2-CD2 4.46Å; C53-L349 PolarHBondContact SG-O 3.27Å; L344-L349 HydrophobicContact CB-CD2 3.94Å; L344-L349 HydrophobicContact CB-CG 4.19Å; L344-L349 HydrophobicContact CD1-CD2 3.68Å; L344-L349 HydrophobicContact CG-CD2 4.46Å; T345-L349 WeakPolarHBondContact O-CG 3.43Å; T345-L349 PolarHBondContact O-N 3.37Å; T345-L349 VanDerWaalsContact O-N 3.08Å; S346-L349 PolarHBondContact O-N 2.89Å; T347-L349 VanDerWaalsContact C-N 3.3Å; T347-L349 PolarHBondContact O-N 2.93Å; L349-T353 PolarHBondContact O-N 2.66Å; L349-T353 PolarHBondContact O-OG1 3.48Å |
| 350 | Q | 89.2 | Confident | 84.7 | Confident | 85 Ų | 85 | 42.4 Ų | 42.4 | 40% | 0.397 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.4 | -51.1 | 174.7 | -172 | 57.9 | 45.4 | 0 | 0 | 110.4 | S346 T347 A352 T353 D354 | S346-Q350 WeakPolarHBondContact O-CB 3.43Å; S346-Q350 PolarHBondContact O-N 3.31Å; T347-Q350 PolarHBondContact O-N 3.05Å; Q350-A352 VanDerWaalsContact C-N 3.26Å; Q350-A352 PolarHBondContact O-N 3.33Å; Q350-T353 WeakPolarHBondContact O-CA 3.49Å; Q350-T353 WeakPolarHBondContact O-CB 3.25Å; Q350-T353 PolarHBondContact O-N 2.79Å; Q350-D354 PolarHBondContact NE2-OD1 2.76Å; Q350-D354 PolarHBondContact NE2-OD2 2.97Å; Q350-D354 VanDerWaalsContact O-CG 3.26Å; Q350-D354 PolarHBondContact O-N 3.34Å |
| 351 | S | 86.4 | Confident | 84.3 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -36.9 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | T347 T355 | T347-S351 WeakPolarHBondContact O-CB 3.14Å; T347-S351 PolarHBondContact O-N 2.83Å; T347-S351 PolarHBondContact O-OG 3.49Å; T347-S351 VanDerWaalsContact O-OG 3.05Å; S351-T355 VanDerWaalsContact O-CB 3.25Å; S351-T355 WeakPolarHBondContact O-CB 3.48Å; S351-T355 PolarHBondContact O-N 3.39Å; S351-T355 PolarHBondContact O-OG1 2.85Å |
| 352 | A | 86.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L50 C53 D348 Q350 T355 V356 L388 L391 | L50-A352 HydrophobicContact CD2-CB 3.72Å; C53-A352 HydrophobicContact CB-CB 4.22Å; D348-A352 VanDerWaalsContact O-CB 3.24Å; D348-A352 WeakPolarHBondContact O-CB 3.26Å; D348-A352 PolarHBondContact O-N 2.98Å; Q350-A352 VanDerWaalsContact C-N 3.26Å; Q350-A352 PolarHBondContact O-N 3.33Å; A352-T355 PolarHBondContact O-N 3.48Å; A352-V356 VanDerWaalsContact O-CG2 3.29Å; A352-V356 WeakPolarHBondContact O-CG2 3.08Å; A352-V356 PolarHBondContact O-N 3.33Å; A352-L388 HydrophobicContact CB-CD1 4.49Å; A352-L391 HydrophobicContact CB-CD1 4.01Å |
| 353 | T | 88 | Confident | 83.2 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 175.9 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | C53 R56 A57 L349 Q350 T355 V356 S357 | C53-T353 WeakPolarHBondContact CB-OG1 3.27Å; R56-T353 HydrophobicContact CB-CG2 4.3Å; R56-T353 HydrophobicContact CG-CG2 4.08Å; A57-T353 HydrophobicContact CB-CG2 4.2Å; L349-T353 PolarHBondContact O-N 2.66Å; L349-T353 PolarHBondContact O-OG1 3.48Å; Q350-T353 WeakPolarHBondContact O-CA 3.49Å; Q350-T353 WeakPolarHBondContact O-CB 3.25Å; Q350-T353 PolarHBondContact O-N 2.79Å; T353-T355 PolarHBondContact O-N 2.97Å; T353-V356 PolarHBondContact O-N 3.3Å; T353-S357 WeakPolarHBondContact O-CB 3.48Å; T353-S357 PolarHBondContact O-N 2.96Å; T353-S357 PolarHBondContact O-OG 3.01Å |
| 354 | D | 86.8 | Confident | 82.1 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | -178.5 | -60.3 | -24.5 | 0 | 0 | 0 | 112.3 | Q350 V356 S357 T358 | Q350-D354 PolarHBondContact NE2-OD1 2.76Å; Q350-D354 PolarHBondContact NE2-OD2 2.97Å; Q350-D354 VanDerWaalsContact O-CG 3.26Å; Q350-D354 PolarHBondContact O-N 3.34Å; D354-V356 VanDerWaalsContact C-N 3.34Å; D354-V356 PolarHBondContact O-N 2.92Å; D354-S357 PolarHBondContact O-N 3.23Å; D354-T358 WeakPolarHBondContact O-CB 3.44Å; D354-T358 WeakPolarHBondContact O-CG2 3.46Å; D354-T358 PolarHBondContact O-N 2.8Å; D354-T358 PolarHBondContact O-OG1 3.42Å |
| 355 | T | 85 | Confident | 80.8 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | S351 A352 T353 T358 E359 L387 | S351-T355 VanDerWaalsContact O-CB 3.25Å; S351-T355 WeakPolarHBondContact O-CB 3.48Å; S351-T355 PolarHBondContact O-N 3.39Å; S351-T355 PolarHBondContact O-OG1 2.85Å; A352-T355 PolarHBondContact O-N 3.48Å; T353-T355 PolarHBondContact O-N 2.97Å; T355-T358 WeakPolarHBondContact CA-OG1 3.38Å; T355-T358 PolarHBondContact O-OG1 3.48Å; T355-E359 PolarHBondContact O-N 3.03Å; T355-L387 HydrophobicContact CG2-CB 4.25Å; T355-L387 HydrophobicContact CG2-CD2 4.29Å; T355-L387 VanDerWaalsContact OG1-CD2 3.22Å; T355-L387 WeakPolarHBondContact OG1-CD2 3.44Å |
| 356 | V | 80.9 | Confident | 79.2 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | R54 A57 A352 T353 D354 T358 E359 L360 L388 | R54-V356 HydrophobicContact CG-CG1 4.44Å; R54-V356 HydrophobicContact CG-CG2 4.16Å; A57-V356 HydrophobicContact CB-CB 3.8Å; A57-V356 HydrophobicContact CB-CG1 3.58Å; A352-V356 VanDerWaalsContact O-CG2 3.29Å; A352-V356 WeakPolarHBondContact O-CG2 3.08Å; A352-V356 PolarHBondContact O-N 3.33Å; T353-V356 PolarHBondContact O-N 3.3Å; D354-V356 VanDerWaalsContact C-N 3.34Å; D354-V356 PolarHBondContact O-N 2.92Å; V356-T358 PolarHBondContact O-N 2.73Å; V356-E359 PolarHBondContact O-N 2.91Å; V356-L360 HydrophobicContact CG1-CD1 3.85Å; V356-L360 HydrophobicContact CG1-CG 4.13Å; V356-L360 WeakPolarHBondContact O-CB 3.22Å; V356-L360 VanDerWaalsContact O-CG 3.27Å; V356-L360 WeakPolarHBondContact O-CG 3.31Å; V356-L360 PolarHBondContact O-N 3.41Å; V356-L388 HydrophobicContact CG2-CD1 3.62Å; V356-L388 HydrophobicContact CG2-CD2 3.99Å; V356-L388 HydrophobicContact CG2-CG 4.48Å |
| 357 | S | 84 | Confident | 77.4 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 177.8 | -73 | 0 | 0 | 0 | 0 | 112.3 | A57 T353 D354 L360 N361 | A57-S357 WeakPolarHBondContact CA-OG 3.45Å; A57-S357 WeakPolarHBondContact CB-OG 3.44Å; T353-S357 WeakPolarHBondContact O-CB 3.48Å; T353-S357 PolarHBondContact O-N 2.96Å; T353-S357 PolarHBondContact O-OG 3.01Å; D354-S357 PolarHBondContact O-N 3.23Å; S357-L360 PolarHBondContact O-N 3.38Å; S357-N361 WeakPolarHBondContact O-CB 3.23Å; S357-N361 PolarHBondContact O-N 2.96Å; S357-N361 PolarHBondContact O-ND2 3.49Å |
| 358 | T | 79.2 | Confident | 75.4 | Confident | 85 Ų | 85 | 52 Ų | 52 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 177.5 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | D354 T355 V356 N361 R362 | D354-T358 WeakPolarHBondContact O-CB 3.44Å; D354-T358 WeakPolarHBondContact O-CG2 3.46Å; D354-T358 PolarHBondContact O-N 2.8Å; D354-T358 PolarHBondContact O-OG1 3.42Å; T355-T358 WeakPolarHBondContact CA-OG1 3.38Å; T355-T358 PolarHBondContact O-OG1 3.48Å; V356-T358 PolarHBondContact O-N 2.73Å; T358-N361 PolarHBondContact O-N 3.06Å; T358-R362 WeakPolarHBondContact O-CB 3.37Å; T358-R362 PolarHBondContact O-N 2.81Å |
| 359 | E | 77.9 | Confident | 73.1 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.4 | 172.9 | 56.1 | -165.4 | 0 | 0 | 112 | T355 V356 R362 R363 | T355-E359 PolarHBondContact O-N 3.03Å; V356-E359 PolarHBondContact O-N 2.91Å; E359-R362 PolarHBondContact O-N 3.39Å; E359-R362 IonicContact OE1-CZ 3.02Å; E359-R362 IonicContact OE1-NE 3.85Å; E359-R362 IonicContact OE1-NH2 2.97Å; E359-R362 PolarHBondContact OE1-NH2 3.25Å; E359-R362 IonicContact OE2-CZ 3.15Å; E359-R362 IonicContact OE2-NE 2.65Å; E359-R362 PolarHBondContact OE2-NE 3.46Å; E359-R362 IonicContact OE2-NH2 2.94Å; E359-R362 PolarHBondContact OE2-NH2 2.88Å; E359-R362 VanDerWaalsContact OE2-NH2 3.12Å; E359-R363 WeakPolarHBondContact O-CG 3.39Å; E359-R363 PolarHBondContact O-N 2.9Å; E359-R363 VanDerWaalsContact O-N 3.08Å; E359-R363 IonicContact OE1-CZ 2.82Å; E359-R363 VanDerWaalsContact OE1-CZ 3.3Å; E359-R363 IonicContact OE1-NE 2.79Å; E359-R363 PolarHBondContact OE1-NE 2.96Å; E359-R363 IonicContact OE1-NH2 3.33Å; E359-R363 PolarHBondContact OE1-NH2 3.49Å |
| 360 | L | 75.1 | Confident | 70.3 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.8 | -67.7 | 173.7 | 0 | 0 | 0 | 111.5 | A57 Y58 L61 V356 S357 R362 R363 V364 | A57-L360 HydrophobicContact CB-CD1 4.27Å; Y58-L360 HydrophobicContact CD1-CD1 3.68Å; Y58-L360 HydrophobicContact CD1-CD2 4.26Å; Y58-L360 HydrophobicContact CD2-CD1 4.36Å; Y58-L360 HydrophobicContact CE1-CD1 3.74Å; Y58-L360 HydrophobicContact CE1-CD2 3.49Å; Y58-L360 VanDerWaalsContact CE1-CD2 3.49Å; Y58-L360 HydrophobicContact CE1-CG 4.28Å; Y58-L360 HydrophobicContact CE2-CD1 4.4Å; Y58-L360 HydrophobicContact CG-CD1 3.99Å; L61-L360 HydrophobicContact CD2-CB 3.56Å; L61-L360 HydrophobicContact CD2-CD1 4.3Å; L61-L360 HydrophobicContact CD2-CG 4.49Å; V356-L360 HydrophobicContact CG1-CD1 3.85Å; V356-L360 HydrophobicContact CG1-CG 4.13Å; V356-L360 WeakPolarHBondContact O-CB 3.22Å; V356-L360 VanDerWaalsContact O-CG 3.27Å; V356-L360 WeakPolarHBondContact O-CG 3.31Å; V356-L360 PolarHBondContact O-N 3.41Å; S357-L360 PolarHBondContact O-N 3.38Å; L360-R362 VanDerWaalsContact C-N 3.33Å; L360-R362 PolarHBondContact O-N 3.05Å; L360-R363 WeakPolarHBondContact O-CB 3.35Å; L360-R363 PolarHBondContact O-N 3.21Å; L360-R363 VanDerWaalsContact O-N 3.15Å; L360-V364 WeakPolarHBondContact O-CG2 3.23Å; L360-V364 PolarHBondContact O-N 2.94Å |
| 361 | N | 74.5 | Confident | 67.6 | Low | 51 Ų | 51 | 60.9 Ų | 60.9 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 174.8 | -93.6 | -39 | 0 | 0 | 0 | 111.8 | L61 S357 T358 R363 V364 C365 | L61-N361 WeakPolarHBondContact CD1-OD1 3.46Å; S357-N361 WeakPolarHBondContact O-CB 3.23Å; S357-N361 PolarHBondContact O-N 2.96Å; S357-N361 PolarHBondContact O-ND2 3.49Å; T358-N361 PolarHBondContact O-N 3.06Å; N361-R363 VanDerWaalsContact C-N 3.32Å; N361-R363 PolarHBondContact O-N 3.18Å; N361-V364 PolarHBondContact O-N 3.05Å; N361-C365 PolarHBondContact O-N 3.37Å; N361-C365 PolarHBondContact O-SG 3.19Å; N361-C365 VanDerWaalsContact O-SG 3.37Å |
| 362 | R | 71.9 | Confident | 64.9 | Low | 119 Ų | 119 | 67.7 Ų | 67.7 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 175.4 | -171 | -170.1 | 68.7 | 82.7 | -1.3 | 111.9 | T358 E359 L360 S366 | T358-R362 WeakPolarHBondContact O-CB 3.37Å; T358-R362 PolarHBondContact O-N 2.81Å; E359-R362 PolarHBondContact O-N 3.39Å; E359-R362 IonicContact OE1-CZ 3.02Å; E359-R362 IonicContact OE1-NE 3.85Å; E359-R362 IonicContact OE1-NH2 2.97Å; E359-R362 PolarHBondContact OE1-NH2 3.25Å; E359-R362 IonicContact OE2-CZ 3.15Å; E359-R362 IonicContact OE2-NE 2.65Å; E359-R362 PolarHBondContact OE2-NE 3.46Å; E359-R362 IonicContact OE2-NH2 2.94Å; E359-R362 PolarHBondContact OE2-NH2 2.88Å; E359-R362 VanDerWaalsContact OE2-NH2 3.12Å; L360-R362 VanDerWaalsContact C-N 3.33Å; L360-R362 PolarHBondContact O-N 3.05Å; R362-S366 WeakPolarHBondContact O-CB 3.46Å; R362-S366 PolarHBondContact O-N 3.06Å; R362-S366 PolarHBondContact O-OG 3.46Å |
| 363 | R | 69.1 | Low | 62 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 42% | 0.415 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 177.6 | -71.3 | 175.9 | -171.5 | -170.9 | 1.8 | 111.8 | E359 L360 N361 S366 S367 | E359-R363 WeakPolarHBondContact O-CG 3.39Å; E359-R363 PolarHBondContact O-N 2.9Å; E359-R363 VanDerWaalsContact O-N 3.08Å; E359-R363 IonicContact OE1-CZ 2.82Å; E359-R363 VanDerWaalsContact OE1-CZ 3.3Å; E359-R363 IonicContact OE1-NE 2.79Å; E359-R363 PolarHBondContact OE1-NE 2.96Å; E359-R363 IonicContact OE1-NH2 3.33Å; E359-R363 PolarHBondContact OE1-NH2 3.49Å; L360-R363 WeakPolarHBondContact O-CB 3.35Å; L360-R363 PolarHBondContact O-N 3.21Å; L360-R363 VanDerWaalsContact O-N 3.15Å; N361-R363 VanDerWaalsContact C-N 3.32Å; N361-R363 PolarHBondContact O-N 3.18Å; R363-S366 PolarHBondContact O-N 2.62Å; R363-S366 PolarHBondContact O-OG 3.29Å; R363-S367 PolarHBondContact O-N 3.18Å |
| 364 | V | 63.4 | Low | 59.3 | Low | 55 Ų | 55 | 86.4 Ų | 86.4 | 33% | 0.333 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.1 | -51.8 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | L61 I65 L360 N361 S366 S367 | L61-V364 HydrophobicContact CD2-CG2 4.1Å; I65-V364 HydrophobicContact CD1-CG1 4.26Å; I65-V364 HydrophobicContact CD1-CG2 4.44Å; L360-V364 WeakPolarHBondContact O-CG2 3.23Å; L360-V364 PolarHBondContact O-N 2.94Å; N361-V364 PolarHBondContact O-N 3.05Å; V364-S366 PolarHBondContact O-N 2.96Å; V364-S367 PolarHBondContact O-N 3.05Å; V364-S367 PolarHBondContact O-OG 3.01Å |
| 365 | C | 59.6 | Low | 56.7 | Low | 88 Ų | 88 | 89 Ų | 89 | 60% | 0.595 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.7 | -39 | -179.8 | -67.2 | 0 | 0 | 0 | 0 | 113.2 | N361 S367 V368 | N361-C365 PolarHBondContact O-N 3.37Å; N361-C365 PolarHBondContact O-SG 3.19Å; N361-C365 VanDerWaalsContact O-SG 3.37Å; C365-S367 VanDerWaalsContact C-N 3.27Å; C365-S367 PolarHBondContact O-N 3.19Å; C365-V368 PolarHBondContact O-N 3.26Å |
| 366 | S | 54.8 | Low | 53.9 | Low | 61 Ų | 61 | 95.6 Ų | 95.6 | 43% | 0.427 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67 | -27.5 | 179 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | R362 R363 V364 S369 | R362-S366 WeakPolarHBondContact O-CB 3.46Å; R362-S366 PolarHBondContact O-N 3.06Å; R362-S366 PolarHBondContact O-OG 3.46Å; R363-S366 PolarHBondContact O-N 2.62Å; R363-S366 PolarHBondContact O-OG 3.29Å; V364-S366 PolarHBondContact O-N 2.96Å; S366-S369 PolarHBondContact O-OG 2.8Å; S366-S369 VanDerWaalsContact O-OG 3.07Å |
| 367 | S | 46.3 | Very low | 51.3 | Low | 73 Ų | 73 | 98.7 Ų | 98.7 | 51% | 0.51 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -73.9 | -29.1 | -180 | 71.5 | 0 | 0 | 0 | 0 | 113.1 | R363 V364 C365 S369 N370 | R363-S367 PolarHBondContact O-N 3.18Å; V364-S367 PolarHBondContact O-N 3.05Å; V364-S367 PolarHBondContact O-OG 3.01Å; C365-S367 VanDerWaalsContact C-N 3.27Å; C365-S367 PolarHBondContact O-N 3.19Å; S367-S369 VanDerWaalsContact C-N 3.31Å; S367-S369 PolarHBondContact O-N 3.17Å; S367-N370 PolarHBondContact O-N 3Å |
| 368 | V | 44.9 | Very low | 48.6 | Very low | 105 Ų | 105 | 104.7 Ų | 104.7 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69 | -28.7 | -176.8 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | C365 N370 | C365-V368 PolarHBondContact O-N 3.26Å; V368-N370 VanDerWaalsContact C-N 3.31Å; V368-N370 PolarHBondContact O-N 3.29Å |
| 369 | S | 40.5 | Very low | 46.5 | Very low | 97 Ų | 97 | 105.8 Ų | 105.8 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -8.3 | 177.1 | 27.4 | 0 | 0 | 0 | 0 | 115.1 | S366 S367 | S366-S369 PolarHBondContact O-OG 2.8Å; S366-S369 VanDerWaalsContact O-OG 3.07Å; S367-S369 VanDerWaalsContact C-N 3.31Å; S367-S369 PolarHBondContact O-N 3.17Å |
| 370 | N | 31.4 | Very low | 44.2 | Very low | 125 Ų | 125 | 109.6 Ų | 109.6 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | trans | -126.7 | 66.6 | -177.7 | -76.5 | -29.7 | 0 | 0 | 0 | 111 | S367 V368 D372 | S367-N370 PolarHBondContact O-N 3Å; V368-N370 VanDerWaalsContact C-N 3.31Å; V368-N370 PolarHBondContact O-N 3.29Å; N370-D372 PolarHBondContact O-N 2.99Å; N370-D372 VanDerWaalsContact O-N 3.1Å | ||
| 371 | T | 32.4 | Very low | 42.1 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 0.5 | 179.1 | 43 | 0 | 0 | 0 | 0 | 115.4 | ||
| 372 | D | 29.8 | Very low | 40.4 | Very low | 158 Ų | 158 | 122 Ų | 122 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 6.9 | -176 | -79.2 | -14 | 0 | 0 | 0 | 116.3 | N370 | N370-D372 PolarHBondContact O-N 2.99Å; N370-D372 VanDerWaalsContact O-N 3.1Å |
| 373 | R | 27.4 | Very low | 39.1 | Very low | 225 Ų | 225 | 121.8 Ų | 121.8 | 85% | 0.849 | 68% | 0.68 | S | S | * | * | trans | -135.4 | 66.4 | 178.3 | -68.4 | -170.9 | 179 | 171.1 | 0.8 | 113.6 | ||||
| 374 | L | 30 | Very low | 38.2 | Very low | 171 Ų | 171 | 121.4 Ų | 121.4 | 90% | 0.895 | 68% | 0.683 | S | S | * | * | trans | -94.8 | 22.7 | 166 | -81.6 | 172.9 | 0 | 0 | 0 | 113.9 | ||||
| 375 | T | 31.9 | Very low | 37.8 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -126.2 | 126 | 167.2 | 56.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 376 | N | 27.5 | Very low | 38.5 | Very low | 154 Ų | 154 | 117 Ų | 117 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | trans | 84.5 | 72.7 | -179.9 | -51.2 | -23.5 | 0 | 0 | 0 | 115.7 | I378 | N376-I378 PolarHBondContact O-N 2.94Š| ||
| 377 | G | 26.8 | Very low | 39.7 | Very low | 81 Ų | 81 | 114.2 Ų | 114.2 | 84% | 0.835 | 64% | 0.638 | S | S | * | * | trans | -67.6 | 87.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 378 | I | 27.3 | Very low | 41.1 | Very low | 146 Ų | 146 | 110.9 Ų | 110.9 | 75% | 0.749 | 62% | 0.615 | S | S | * | * | trans | -95.5 | 91.8 | 152.4 | -59.4 | 175.6 | 0 | 0 | 0 | 105.2 | N376 N380 | N376-I378 PolarHBondContact O-N 2.94Å; I378-N380 PolarHBondContact O-N 3.22Å | ||
| 379 | V | 34.5 | Very low | 42.6 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 65% | 0.648 | 60% | 0.6 | S | S | * | * | trans | -68.2 | 101.9 | 169.1 | 178.2 | 0 | 0 | 0 | 0 | 105.9 | K381 | V379-K381 PolarHBondContact O-N 2.91Š| ||
| 380 | N | 28.6 | Very low | 44.7 | Very low | 129 Ų | 129 | 107 Ų | 107 | 69% | 0.69 | 58% | 0.582 | S | S | * | * | trans | -51.5 | 118.2 | 168.2 | -87.5 | -21 | 0 | 0 | 0 | 107.6 | I378 Q382 | I378-N380 PolarHBondContact O-N 3.22Å; N380-Q382 PolarHBondContact O-N 3.22Å | ||
| 381 | K | 31.8 | Very low | 47.2 | Very low | 198 Ų | 198 | 101.2 Ų | 101.2 | 86% | 0.861 | 55% | 0.551 | S | S | * | * | trans | -60.1 | 82.4 | 167.4 | -77.7 | -178.2 | 176.1 | 178.6 | 0 | 107.7 | V379 | V379-K381 PolarHBondContact O-N 2.91Š| ||
| 382 | Q | 39.1 | Very low | 49.5 | Very low | 127 Ų | 127 | 97.6 Ų | 97.6 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | trans | -69.5 | 140.5 | 165.6 | -78.3 | -168.9 | -24.6 | 0 | 0 | 108.1 | N380 E384 | N380-Q382 PolarHBondContact O-N 3.22Å; Q382-E384 PolarHBondContact O-N 2.87Å | ||
| 383 | S | 44.1 | Very low | 52 | Low | 114 Ų | 114 | 93.8 Ų | 93.8 | 80% | 0.797 | 51% | 0.512 | S | S | * | . | trans | -42.7 | 130 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 384 | E | 49.9 | Very low | 54.7 | Low | 103 Ų | 103 | 87.3 Ų | 87.3 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | trans | -44 | 146 | 171.1 | -69.3 | -169.3 | 128.2 | 0 | 0 | 110.8 | R54 Q382 G386 T389 | R54-E384 IonicContact CZ-OE1 2.8Å; R54-E384 IonicContact NH1-OE1 2.66Å; R54-E384 IonicContact NH2-OE1 3.93Å; R54-E384 PolarHBondContact NH2-OE1 2.74Å; Q382-E384 PolarHBondContact O-N 2.87Å; E384-G386 PolarHBondContact O-N 3.44Å; E384-T389 WeakPolarHBondContact CB-OG1 3.48Å; E384-T389 PolarHBondContact OE2-OG1 3.32Å | ||
| 385 | S | 56.2 | Low | 57.1 | Low | 35 Ų | 35 | 79.3 Ų | 79.3 | 25% | 0.245 | 45% | 0.45 | C | S | . | . | trans | -54.6 | 130.3 | 178 | 80.4 | 0 | 0 | 0 | 0 | 108.4 | L387 L388 T389 | S385-L387 PolarHBondContact O-N 3.37Å; S385-L388 PolarHBondContact O-N 3.21Å; S385-L388 WeakPolarHBondContact OG-CD1 3.06Å; S385-T389 PolarHBondContact O-N 2.84Å | ||
| 386 | G | 72.9 | Confident | 59.5 | Low | 14 Ų | 14 | 78 Ų | 78 | 14% | 0.144 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -52.7 | -31.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E384 Q390 S539 S540 | E384-G386 PolarHBondContact O-N 3.44Å; G386-Q390 WeakPolarHBondContact O-CB 3.29Å; G386-Q390 PolarHBondContact O-N 3.11Å; G386-S539 WeakPolarHBondContact CA-O 3.4Å; G386-S539 PolarHBondContact N-O 2.96Å; G386-S540 WeakPolarHBondContact CA-OG 3.43Å; G386-S540 PolarHBondContact O-OG 3.11Å; G386-S540 VanDerWaalsContact O-OG 3.06Å |
| 387 | L | 79.7 | Confident | 62.2 | Low | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.9 | -52.1 | 176.6 | -174.4 | 56.9 | 0 | 0 | 0 | 113.3 | T355 S385 T389 Q390 L391 S539 S540 I541 | T355-L387 HydrophobicContact CG2-CB 4.25Å; T355-L387 HydrophobicContact CG2-CD2 4.29Å; T355-L387 VanDerWaalsContact OG1-CD2 3.22Å; T355-L387 WeakPolarHBondContact OG1-CD2 3.44Å; S385-L387 PolarHBondContact O-N 3.37Å; L387-T389 VanDerWaalsContact C-N 3.32Å; L387-T389 PolarHBondContact O-N 3.11Å; L387-Q390 WeakPolarHBondContact O-CB 3.2Å; L387-Q390 PolarHBondContact O-N 3.48Å; L387-Q390 VanDerWaalsContact O-N 3.16Å; L387-L391 HydrophobicContact CD1-CD1 4.04Å; L387-L391 HydrophobicContact CD1-CD2 4.4Å; L387-L391 HydrophobicContact CD1-CG 3.94Å; L387-L391 HydrophobicContact CG-CD1 3.96Å; L387-L391 HydrophobicContact CG-CG 4.26Å; L387-L391 WeakPolarHBondContact O-CG 3.49Å; L387-L391 PolarHBondContact O-N 2.94Å; L387-S539 PolarHBondContact N-O 3.29Å; L387-S540 PolarHBondContact N-OG 3.2Å; L387-S540 VanDerWaalsContact N-OG 3.15Å; L387-I541 HydrophobicContact CD1-CB 4.45Å; L387-I541 HydrophobicContact CD1-CD1 4.45Å; L387-I541 HydrophobicContact CD1-CG1 3.43Å; L387-I541 VanDerWaalsContact CD1-CG1 3.43Å; L387-I541 HydrophobicContact CD2-CG1 4.47Å |
| 388 | L | 76.1 | Confident | 65.1 | Low | 3 Ų | 3 | 75.7 Ų | 75.7 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | -174.8 | -89.8 | 80.6 | 0 | 0 | 0 | 110.2 | R54 A352 V356 S385 Q390 L391 L392 | R54-L388 HydrophobicContact CG-CD2 3.98Å; A352-L388 HydrophobicContact CB-CD1 4.49Å; V356-L388 HydrophobicContact CG2-CD1 3.62Å; V356-L388 HydrophobicContact CG2-CD2 3.99Å; V356-L388 HydrophobicContact CG2-CG 4.48Å; S385-L388 PolarHBondContact O-N 3.21Å; S385-L388 WeakPolarHBondContact OG-CD1 3.06Å; L388-Q390 VanDerWaalsContact C-N 3.32Å; L388-Q390 PolarHBondContact O-N 3.16Å; L388-L391 PolarHBondContact O-N 3.14Å; L388-L392 WeakPolarHBondContact O-CB 3.18Å; L388-L392 WeakPolarHBondContact O-CG 3.48Å; L388-L392 PolarHBondContact O-N 3.25Å |
| 389 | T | 77.5 | Confident | 68 | Low | 54 Ų | 54 | 73.1 Ų | 73.1 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 174.5 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | E384 S385 L387 L392 C393 | E384-T389 WeakPolarHBondContact CB-OG1 3.48Å; E384-T389 PolarHBondContact OE2-OG1 3.32Å; S385-T389 PolarHBondContact O-N 2.84Å; L387-T389 VanDerWaalsContact C-N 3.32Å; L387-T389 PolarHBondContact O-N 3.11Å; T389-L392 PolarHBondContact O-N 3.03Å; T389-C393 WeakPolarHBondContact O-CB 3.4Å; T389-C393 PolarHBondContact O-N 3.15Å; T389-C393 PolarHBondContact O-SG 3.13Å |
| 390 | Q | 82.9 | Confident | 70.7 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 30% | 0.304 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 176.9 | 179.7 | 177.7 | -13.1 | 0 | 0 | 112.4 | G386 L387 L388 L392 C393 Q394 S540 | G386-Q390 WeakPolarHBondContact O-CB 3.29Å; G386-Q390 PolarHBondContact O-N 3.11Å; L387-Q390 WeakPolarHBondContact O-CB 3.2Å; L387-Q390 PolarHBondContact O-N 3.48Å; L387-Q390 VanDerWaalsContact O-N 3.16Å; L388-Q390 VanDerWaalsContact C-N 3.32Å; L388-Q390 PolarHBondContact O-N 3.16Å; Q390-L392 VanDerWaalsContact C-N 3.35Å; Q390-C393 WeakPolarHBondContact O-CB 3.48Å; Q390-C393 PolarHBondContact O-N 3.31Å; Q390-Q394 WeakPolarHBondContact O-CG 3.25Å; Q390-Q394 PolarHBondContact O-N 3.41Å; Q390-S540 PolarHBondContact OE1-OG 3.35Å |
| 391 | L | 85 | Confident | 73.5 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 177.8 | -68.5 | 177.6 | 0 | 0 | 0 | 111.3 | L50 L344 D348 A352 L387 L388 Q394 A395 | L50-L391 HydrophobicContact CD1-CB 4Å; L50-L391 HydrophobicContact CD2-CB 4.43Å; L50-L391 HydrophobicContact CD2-CD1 3.91Å; L344-L391 HydrophobicContact CD2-CB 3.98Å; L344-L391 HydrophobicContact CD2-CD2 3.97Å; L344-L391 HydrophobicContact CD2-CG 4.38Å; D348-L391 HydrophobicContact CB-CD1 4.35Å; D348-L391 HydrophobicContact CB-CD2 4.11Å; A352-L391 HydrophobicContact CB-CD1 4.01Å; L387-L391 HydrophobicContact CD1-CD1 4.04Å; L387-L391 HydrophobicContact CD1-CD2 4.4Å; L387-L391 HydrophobicContact CD1-CG 3.94Å; L387-L391 HydrophobicContact CG-CD1 3.96Å; L387-L391 HydrophobicContact CG-CG 4.26Å; L387-L391 WeakPolarHBondContact O-CG 3.49Å; L387-L391 PolarHBondContact O-N 2.94Å; L388-L391 PolarHBondContact O-N 3.14Å; L391-Q394 WeakPolarHBondContact O-CB 3.24Å; L391-Q394 PolarHBondContact O-N 3.31Å; L391-A395 PolarHBondContact O-N 2.94Å |
| 392 | L | 81.4 | Confident | 76.1 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 171.7 | -74.5 | 170.7 | 0 | 0 | 0 | 112.1 | Y47 L50 L388 T389 Q390 Q394 A395 N396 | Y47-L392 HydrophobicContact CD2-CD2 3.87Å; Y47-L392 HydrophobicContact CG-CD2 4.48Å; L50-L392 HydrophobicContact CD1-CD1 4.49Å; L50-L392 HydrophobicContact CD1-CD2 3.68Å; L50-L392 HydrophobicContact CD1-CG 3.59Å; L388-L392 WeakPolarHBondContact O-CB 3.18Å; L388-L392 WeakPolarHBondContact O-CG 3.48Å; L388-L392 PolarHBondContact O-N 3.25Å; T389-L392 PolarHBondContact O-N 3.03Å; Q390-L392 VanDerWaalsContact C-N 3.35Å; L392-Q394 VanDerWaalsContact C-N 3.26Å; L392-Q394 PolarHBondContact O-N 2.99Å; L392-A395 PolarHBondContact O-N 3.21Å; L392-A395 VanDerWaalsContact O-N 3.16Å; L392-N396 PolarHBondContact O-N 2.8Å |
| 393 | C | 82.2 | Confident | 78.3 | Confident | 77 Ų | 77 | 54 Ų | 54 | 52% | 0.52 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -31.6 | 175.9 | -73.2 | 0 | 0 | 0 | 0 | 112.5 | T389 Q390 A395 N396 | T389-C393 WeakPolarHBondContact O-CB 3.4Å; T389-C393 PolarHBondContact O-N 3.15Å; T389-C393 PolarHBondContact O-SG 3.13Å; Q390-C393 WeakPolarHBondContact O-CB 3.48Å; Q390-C393 PolarHBondContact O-N 3.31Å; C393-A395 VanDerWaalsContact C-N 3.34Å; C393-N396 WeakPolarHBondContact O-CB 3.3Å; C393-N396 PolarHBondContact O-N 3.23Å |
| 394 | Q | 83.8 | Confident | 80.1 | Confident | 90 Ų | 90 | 52.5 Ų | 52.5 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.8 | -34.1 | 174.1 | -71 | 176.3 | 13.7 | 0 | 0 | 112.6 | F341 Q390 L391 L392 N396 | F341-Q394 WeakPolarHBondContact CD2-O 3.22Å; F341-Q394 HydrophobicContact CE2-CB 4.03Å; Q390-Q394 WeakPolarHBondContact O-CG 3.25Å; Q390-Q394 PolarHBondContact O-N 3.41Å; L391-Q394 WeakPolarHBondContact O-CB 3.24Å; L391-Q394 PolarHBondContact O-N 3.31Å; L392-Q394 VanDerWaalsContact C-N 3.26Å; L392-Q394 PolarHBondContact O-N 2.99Å; Q394-N396 VanDerWaalsContact C-N 3.27Å; Q394-N396 PolarHBondContact O-N 3.39Å |
| 395 | A | 80.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.4 | -15.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A46 F341 L391 L392 C393 | A46-A395 HydrophobicContact CB-CB 3.38Å; F341-A395 HydrophobicContact CD1-CB 3.99Å; F341-A395 HydrophobicContact CE1-CB 3.6Å; F341-A395 HydrophobicContact CZ-CB 3.92Å; L391-A395 PolarHBondContact O-N 2.94Å; L392-A395 PolarHBondContact O-N 3.21Å; L392-A395 VanDerWaalsContact O-N 3.16Å; C393-A395 VanDerWaalsContact C-N 3.34Å |
| 396 | N | 82.5 | Confident | 82.7 | Confident | 86 Ų | 86 | 47.4 Ų | 47.4 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -72.6 | 122.7 | 179.3 | -165.7 | 6.1 | 0 | 0 | 0 | 110.9 | L392 C393 Q394 Q398 | L392-N396 PolarHBondContact O-N 2.8Å; C393-N396 WeakPolarHBondContact O-CB 3.3Å; C393-N396 PolarHBondContact O-N 3.23Å; Q394-N396 VanDerWaalsContact C-N 3.27Å; Q394-N396 PolarHBondContact O-N 3.39Å; N396-Q398 PolarHBondContact O-N 2.6Å |
| 397 | P | 84.3 | Confident | 82.8 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | trans | -60.6 | 120 | -176.9 | 20.4 | -33.3 | 0 | 0 | 0 | 113.1 | P39 C338 W399 | P39-P397 HydrophobicContact CB-CB 3.87Å; P39-P397 HydrophobicContact CB-CG 4.17Å; C338-P397 HydrophobicContact CB-CB 4.28Å; P397-W399 HydrophobicContact CB-CZ2 4.41Å; P397-W399 VanDerWaalsContact O-CD1 3.3Å; P397-W399 PolarHBondContact O-N 2.87Å | ||
| 398 | Q | 86.2 | Confident | 82.4 | Confident | 164 Ų | 164 | 60.8 Ų | 60.8 | 77% | 0.766 | 31% | 0.31 | S | S | * | . | trans | -85.6 | 99.2 | 173.5 | -63.6 | -132.4 | -22 | 0 | 0 | 111.2 | C338 N396 | C338-Q398 WeakPolarHBondContact CA-O 3.31Å; C338-Q398 VanDerWaalsContact CB-O 3.25Å; C338-Q398 WeakPolarHBondContact CB-O 3.36Å; N396-Q398 PolarHBondContact O-N 2.6Å | ||
| 399 | W | 88.3 | Confident | 82.4 | Confident | 92 Ų | 92 | 61.1 Ų | 61.1 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 132.4 | -178.8 | -64.3 | 100.1 | 0 | 0 | 0 | 112.3 | W327 R329 V336 C338 P397 | W327-W399 AromaticContact CD1-CH2 3.78Å; R329-W399 HydrophobicContact CB-CH2 3.76Å; R329-W399 HydrophobicContact CB-CZ3 3.8Å; V336-W399 HydrophobicContact CB-CE3 3.88Å; V336-W399 HydrophobicContact CG2-CD2 4.18Å; V336-W399 HydrophobicContact CG2-CE3 3.45Å; V336-W399 VanDerWaalsContact CG2-CE3 3.45Å; V336-W399 HydrophobicContact CG2-CZ3 3.76Å; C338-W399 HydrophobicContact CB-CD2 4.29Å; C338-W399 HydrophobicContact CB-CE3 4.1Å; C338-W399 HydrophobicContact CB-CZ3 4.46Å; P397-W399 HydrophobicContact CB-CZ2 4.41Å; P397-W399 VanDerWaalsContact O-CD1 3.3Å; P397-W399 PolarHBondContact O-N 2.87Å |
| 400 | T | 91.2 | Very high | 82.6 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.1 | 172.9 | -57.3 | 0 | 0 | 0 | 0 | 109 | V336 Y337 M402 | V336-T400 WeakPolarHBondContact CA-O 3.09Å; Y337-T400 WeakPolarHBondContact CD1-O 3.46Å; Y337-T400 HydrophobicContact CE1-CG2 3.75Å; Y337-T400 PolarHBondContact N-O 3.49Å; Y337-T400 PolarHBondContact O-N 3.42Å; T400-M402 PolarHBondContact O-N 3.38Å |
| 401 | V | 88.4 | Confident | 82.8 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.3 | 174.8 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | Q334 V336 | Q334-V401 VanDerWaalsContact OE1-CG2 3.31Å; V336-V401 HydrophobicContact CG1-CG2 4.13Å |
| 402 | M | 87 | Confident | 82.7 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.069 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -44.8 | 173.6 | -175.2 | 170.7 | 69.1 | 0 | 0 | 111.7 | K313 F328 L335 Y337 T400 Y450 L452 | K313-M402 HydrophobicContact CD-SD 3.98Å; F328-M402 HydrophobicContact CD1-CE 4.09Å; F328-M402 HydrophobicContact CE1-CE 3.52Å; F328-M402 HydrophobicContact CE1-SD 3.83Å; F328-M402 HydrophobicContact CZ-CE 4.5Å; F328-M402 HydrophobicContact CZ-SD 4.47Å; L335-M402 HydrophobicContact CD2-CE 3.19Å; L335-M402 HydrophobicContact CG-CE 3.72Å; L335-M402 WeakPolarHBondContact O-CB 3.49Å; L335-M402 PolarHBondContact O-N 3.08Å; Y337-M402 HydrophobicContact CD1-CB 3.86Å; Y337-M402 HydrophobicContact CE1-CB 3.92Å; T400-M402 PolarHBondContact O-N 3.38Å; M402-Y450 HydrophobicContact CG-CD1 4.36Å; M402-Y450 HydrophobicContact CG-CD2 4.22Å; M402-Y450 HydrophobicContact CG-CE1 4.34Å; M402-Y450 HydrophobicContact CG-CE2 4.17Å; M402-Y450 HydrophobicContact CG-CG 4.29Å; M402-Y450 HydrophobicContact SD-CD1 4.38Å; M402-Y450 HydrophobicContact SD-CG 4.18Å; M402-L452 HydrophobicContact CE-CD1 3.83Å; M402-L452 HydrophobicContact CE-CD2 4.32Å; M402-L452 HydrophobicContact SD-CD2 4.37Å |
| 403 | V | 85.2 | Confident | 82.9 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 116.5 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | Q334 L335 D405 L406 C409 V442 Y450 | Q334-V403 CarbonylContact C-O 3.49Å; Q334-V403 VanDerWaalsContact CA-O 3.27Å; Q334-V403 WeakPolarHBondContact CA-O 3.17Å; Q334-V403 WeakPolarHBondContact CB-O 3.46Å; L335-V403 HydrophobicContact CB-CB 4.12Å; L335-V403 HydrophobicContact CB-CG2 4.47Å; L335-V403 PolarHBondContact N-O 2.83Å; L335-V403 PolarHBondContact O-N 3.42Å; L335-V403 VanDerWaalsContact O-N 3.17Å; V403-D405 WeakPolarHBondContact CG1-O 3.41Å; V403-L406 HydrophobicContact CB-CD2 4.24Å; V403-L406 HydrophobicContact CG1-CD2 4.02Å; V403-C409 HydrophobicContact CG1-CB 4.3Å; V403-V442 HydrophobicContact CG2-CG1 4.27Å; V403-Y450 HydrophobicContact CG2-CD2 4.45Å; V403-Y450 HydrophobicContact CG2-CE2 4.28Å |
| 404 | S | 82 | Confident | 82.6 | Confident | 82 Ų | 82 | 63 Ų | 63 | 57% | 0.573 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -81.7 | -16 | -176.9 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 405 | D | 80.2 | Confident | 81.5 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | trans | -146.6 | 111.3 | 177.9 | -170.5 | -8 | 0 | 0 | 0 | 110 | N333 V403 R407 | N333-D405 PolarHBondContact ND2-OD1 3.4Å; V403-D405 WeakPolarHBondContact CG1-O 3.41Å; D405-R407 VanDerWaalsContact C-N 3.34Å; D405-R407 VanDerWaalsContact OD1-CB 3.28Å; D405-R407 WeakPolarHBondContact OD1-CB 3.29Å; D405-R407 WeakPolarHBondContact OD1-CG 3.42Å; D405-R407 IonicContact OD1-CZ 2.78Å; D405-R407 PolarHBondContact OD1-N 3.32Å; D405-R407 IonicContact OD1-NE 3.41Å; D405-R407 PolarHBondContact OD1-NE 3.06Å; D405-R407 IonicContact OD1-NH2 3.77Å; D405-R407 IonicContact OD2-CZ 3.55Å; D405-R407 IonicContact OD2-NE 3.92Å; D405-R407 PolarHBondContact OD2-NE 3.48Å; D405-R407 VanDerWaalsContact OD2-NE 3.15Å; D405-R407 IonicContact OD2-NH2 3.71Å; D405-R407 PolarHBondContact OD2-NH2 2.67Å | ||
| 406 | L | 79.5 | Confident | 80.2 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -80.7 | -10.9 | -179.6 | -71.4 | 173.5 | 0 | 0 | 0 | 113.8 | V330 N333 L335 V403 F408 C409 L467 | V330-L406 HydrophobicContact CG1-CD1 3.62Å; V330-L406 HydrophobicContact CG2-CD1 4.45Å; N333-L406 WeakPolarHBondContact O-CG 3.15Å; N333-L406 PolarHBondContact O-N 3.27Å; N333-L406 WeakPolarHBondContact OD1-CB 3.26Å; N333-L406 PolarHBondContact OD1-N 3.3Å; L335-L406 HydrophobicContact CB-CD1 4.5Å; L335-L406 HydrophobicContact CB-CD2 4.04Å; V403-L406 HydrophobicContact CB-CD2 4.24Å; V403-L406 HydrophobicContact CG1-CD2 4.02Å; L406-F408 PolarHBondContact O-N 2.64Å; L406-C409 HydrophobicContact CB-CB 4.48Å; L406-C409 HydrophobicContact CD2-CB 3.84Å; L406-C409 WeakPolarHBondContact O-CB 3.34Å; L406-C409 PolarHBondContact O-N 2.83Å; L406-C409 VanDerWaalsContact O-N 3.08Å; L406-L467 HydrophobicContact CD1-CD2 4.49Å; L406-L467 HydrophobicContact CD2-CD2 3.8Å |
| 407 | R | 74.6 | Confident | 78.4 | Confident | 156 Ų | 156 | 70.7 Ų | 70.7 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -61.7 | -32.2 | -179.1 | -68.1 | 175.9 | -68.2 | -174.4 | -0.6 | 113.5 | D405 | D405-R407 VanDerWaalsContact C-N 3.34Å; D405-R407 VanDerWaalsContact OD1-CB 3.28Å; D405-R407 WeakPolarHBondContact OD1-CB 3.29Å; D405-R407 WeakPolarHBondContact OD1-CG 3.42Å; D405-R407 IonicContact OD1-CZ 2.78Å; D405-R407 PolarHBondContact OD1-N 3.32Å; D405-R407 IonicContact OD1-NE 3.41Å; D405-R407 PolarHBondContact OD1-NE 3.06Å; D405-R407 IonicContact OD1-NH2 3.77Å; D405-R407 IonicContact OD2-CZ 3.55Å; D405-R407 IonicContact OD2-NE 3.92Å; D405-R407 PolarHBondContact OD2-NE 3.48Å; D405-R407 VanDerWaalsContact OD2-NE 3.15Å; D405-R407 IonicContact OD2-NH2 3.71Å; D405-R407 PolarHBondContact OD2-NH2 2.67Å |
| 408 | F | 71.8 | Confident | 76.2 | Confident | 143 Ų | 143 | 78.1 Ų | 78.1 | 63% | 0.627 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -107.8 | 14.4 | 179 | -56.6 | -72.6 | 0 | 0 | 0 | 111.9 | L406 | L406-F408 PolarHBondContact O-N 2.64Š|
| 409 | C | 76.9 | Confident | 73.8 | Confident | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.061 | 39% | 0.391 | C | S | . | . | trans | -89.8 | 141.1 | 178.2 | -168.1 | 0 | 0 | 0 | 0 | 109.5 | V403 L406 V442 I443 | V403-C409 HydrophobicContact CG1-CB 4.3Å; L406-C409 HydrophobicContact CB-CB 4.48Å; L406-C409 HydrophobicContact CD2-CB 3.84Å; L406-C409 WeakPolarHBondContact O-CB 3.34Å; L406-C409 PolarHBondContact O-N 2.83Å; L406-C409 VanDerWaalsContact O-N 3.08Å; C409-V442 WeakPolarHBondContact SG-CG1 3.34Å; C409-I443 WeakPolarHBondContact CA-O 3.42Å; C409-I443 PolarHBondContact SG-O 3.25Å | ||
| 410 | T | 81.4 | Confident | 71.3 | Confident | 67 Ų | 67 | 84.3 Ų | 84.3 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147 | 168.5 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | I443 | T410-I443 HydrophobicContact CG2-CB 3.93Å; T410-I443 HydrophobicContact CG2-CD1 4.21Å; T410-I443 HydrophobicContact CG2-CG1 4.44Å; T410-I443 PolarHBondContact N-O 3.04Å; T410-I443 PolarHBondContact O-N 2.88Å |
| 411 | A | 86.4 | Confident | 68.7 | Low | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F440 E441 V464 L467 R468 | A411-F440 HydrophobicContact CB-CD2 4.43Å; A411-E441 CarbonylContact C-O 3.32Å; A411-E441 WeakPolarHBondContact CA-O 3.15Å; A411-V464 HydrophobicContact CB-CG1 4.3Å; A411-V464 HydrophobicContact CB-CG2 4.45Å; A411-L467 HydrophobicContact CB-CB 3.72Å; A411-L467 HydrophobicContact CB-CD1 4.2Å; A411-R468 HydrophobicContact CB-CG 4.44Å; A411-R468 WeakPolarHBondContact O-CG 3.44Å; A411-R468 PolarHBondContact O-NE 2.99Å; A411-R468 PolarHBondContact O-NH2 3.18Å |
| 412 | R | 83.6 | Confident | 66.6 | Low | 123 Ų | 123 | 88.9 Ų | 88.9 | 46% | 0.464 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 135.8 | 173.6 | 66.2 | -174.8 | -171.1 | -177.4 | 1.8 | 111.5 | T414 F440 E441 | R412-T414 PolarHBondContact O-N 3.48Å; R412-F440 CarbonylContact O-C 3.57Å; R412-F440 WeakPolarHBondContact O-CA 3.47Å; R412-F440 WeakPolarHBondContact O-CB 3.46Å; R412-E441 HydrophobicContact CG-CG 3.54Å; R412-E441 IonicContact CZ-OE1 3.45Å; R412-E441 PolarHBondContact N-O 3.32Å; R412-E441 IonicContact NE-OE1 3.66Å; R412-E441 PolarHBondContact NE-OE1 3.14Å; R412-E441 IonicContact NH2-OE1 2.72Å; R412-E441 PolarHBondContact NH2-OE1 3.26Å; R412-E441 IonicContact NH2-OE2 3.44Å; R412-E441 PolarHBondContact NH2-OE2 3.47Å; R412-E441 PolarHBondContact O-N 3.49Å |
| 413 | I | 84.4 | Confident | 64.2 | Low | 71 Ų | 71 | 92.7 Ų | 92.7 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 131.3 | 174.2 | -59.8 | 172.2 | 0 | 0 | 0 | 108.1 | Q415 L460 V464 | I413-Q415 PolarHBondContact O-N 3.02Å; I413-L460 HydrophobicContact CD1-CD2 4.16Å; I413-L460 HydrophobicContact CD1-CG 4.38Å; I413-L460 HydrophobicContact CG1-CD1 4.37Å; I413-L460 HydrophobicContact CG1-CD2 4.25Å; I413-L460 HydrophobicContact CG1-CG 4.3Å; I413-L460 HydrophobicContact CG2-CD2 4.2Å; I413-V464 HydrophobicContact CG1-CG1 4.32Å; I413-V464 HydrophobicContact CG1-CG2 3.96Å |
| 414 | T | 76.9 | Confident | 61.8 | Low | 21 Ų | 21 | 99.8 Ų | 99.8 | 13% | 0.129 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 117.2 | 178.9 | -44.4 | 0 | 0 | 0 | 0 | 109 | R412 T434 V439 | R412-T414 PolarHBondContact O-N 3.48Å; T414-T434 HydrophobicContact CG2-CG2 3.27Å; T414-V439 PolarHBondContact N-O 3.18Å |
| 415 | Q | 60.5 | Low | 59.4 | Low | 157 Ų | 157 | 105.4 Ų | 105.4 | 73% | 0.734 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 133.8 | 178.5 | -66.6 | -174.3 | -0.2 | 0 | 0 | 110.5 | I413 | I413-Q415 PolarHBondContact O-N 3.02Š|
| 416 | P | 53 | Low | 57.1 | Low | 84 Ų | 84 | 108.9 Ų | 108.9 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 135.9 | 171 | 24.9 | -30.5 | 0 | 0 | 0 | 109.5 | K418 | P416-K418 PolarHBondContact O-N 3.08Š|
| 417 | N | 44.5 | Very low | 54.9 | Low | 100 Ų | 100 | 116.1 Ų | 116.1 | 54% | 0.535 | 59% | 0.591 | S | S | . | * | trans | -49.2 | 98.6 | -177.5 | -80.7 | -22.8 | 0 | 0 | 0 | 110.9 | R419 | N417-R419 PolarHBondContact O-N 2.77Š| ||
| 418 | K | 38.7 | Very low | 52.8 | Low | 180 Ų | 180 | 114.3 Ų | 114.3 | 78% | 0.783 | 59% | 0.593 | S | S | * | * | trans | -63.4 | 120.8 | 159.7 | -80.1 | -177 | 176 | 179.1 | 0 | 105.6 | P416 L420 | P416-K418 PolarHBondContact O-N 3.08Å; K418-L420 PolarHBondContact O-N 3.27Å | ||
| 419 | R | 35 | Very low | 51.1 | Low | 246 Ų | 246 | 114.9 Ų | 114.9 | 93% | 0.928 | 60% | 0.602 | S | S | * | * | trans | -49.8 | 101.7 | 171.5 | -83.5 | 179.8 | 173.7 | 177.3 | -2.1 | 108 | N417 T421 | N417-R419 PolarHBondContact O-N 2.77Å; R419-T421 PolarHBondContact O-N 2.64Å | ||
| 420 | L | 35.8 | Very low | 49 | Very low | 140 Ų | 140 | 119.5 Ų | 119.5 | 73% | 0.733 | 63% | 0.626 | S | S | * | * | trans | -65.4 | 128 | 171.6 | -79.5 | 153.9 | 0 | 0 | 0 | 107 | K418 | K418-L420 PolarHBondContact O-N 3.27Š| ||
| 421 | T | 36.8 | Very low | 46.9 | Very low | 123 Ų | 123 | 122 Ų | 122 | 76% | 0.755 | 64% | 0.637 | S | S | * | * | trans | -56.6 | 148.2 | 176.2 | 44.2 | 0 | 0 | 0 | 0 | 110.3 | R419 A423 | R419-T421 PolarHBondContact O-N 2.64Å; T421-A423 PolarHBondContact O-N 3.05Å | ||
| 422 | A | 43.8 | Very low | 45 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 95% | 0.95 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 13.9 | -161.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 423 | A | 38.1 | Very low | 43.3 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T421 | T421-A423 PolarHBondContact O-N 3.05Š|
| 424 | E | 34.4 | Very low | 41.8 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 72% | 0.715 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -117.1 | 117.2 | 177 | -71.2 | -175.4 | 165 | 0 | 0 | 112 | ||
| 425 | K | 31.8 | Very low | 41.3 | Very low | 200 Ų | 200 | 124 Ų | 124 | 87% | 0.87 | 66% | 0.659 | S | S | * | * | trans | -57.6 | 130 | -179.7 | -77.8 | 176.2 | 176.2 | 174.3 | 0 | 110.4 | I427 | K425-I427 PolarHBondContact O-N 2.71Å; K425-I427 VanDerWaalsContact O-N 3.16Å | ||
| 426 | P | 30.5 | Very low | 42.5 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | trans | -74.5 | 112.5 | -170 | 29.4 | -32.8 | 0 | 0 | 0 | 110.4 | N428 | P426-N428 VanDerWaalsContact C-N 3.31Å; P426-N428 PolarHBondContact O-N 2.84Å | ||
| 427 | I | 33.7 | Very low | 44.1 | Very low | 157 Ų | 157 | 117 Ų | 117 | 81% | 0.805 | 62% | 0.615 | S | S | * | * | trans | -65.7 | 99.2 | 159.8 | -63.1 | 173.5 | 0 | 0 | 0 | 106.3 | K425 L429 | K425-I427 PolarHBondContact O-N 2.71Å; K425-I427 VanDerWaalsContact O-N 3.16Å; I427-L429 PolarHBondContact O-N 3.31Å | ||
| 428 | N | 31.9 | Very low | 46.2 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 37.8 | -168.7 | -95.8 | -28.8 | 0 | 0 | 0 | 116.6 | P426 | P426-N428 VanDerWaalsContact C-N 3.31Å; P426-N428 PolarHBondContact O-N 2.84Å |
| 429 | L | 35 | Very low | 48.6 | Very low | 155 Ų | 155 | 105.8 Ų | 105.8 | 81% | 0.812 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 0.1 | -177.5 | -84.7 | 159.7 | 0 | 0 | 0 | 116.8 | I427 | I427-L429 PolarHBondContact O-N 3.31Š|
| 430 | L | 33.9 | Very low | 51.2 | Low | 107 Ų | 107 | 94.1 Ų | 94.1 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | trans | -116.1 | 18 | 177.2 | -115.5 | 82.3 | 0 | 0 | 0 | 115.4 | N432 S433 | L430-N432 PolarHBondContact O-N 3.49Å; L430-S433 PolarHBondContact O-N 2.96Å; L430-S433 PolarHBondContact O-OG 3.45Å | ||
| 431 | N | 37.4 | Very low | 53.7 | Low | 120 Ų | 120 | 88 Ų | 88 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 25.4 | -173.5 | -97.3 | -3.3 | 0 | 0 | 0 | 116.9 | ||
| 432 | N | 46.5 | Very low | 56.2 | Low | 110 Ų | 110 | 82.1 Ų | 82.1 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160 | 19.6 | 171.4 | -89 | -46.6 | 0 | 0 | 0 | 112.9 | R321 L430 T434 | R321-N432 PolarHBondContact NH1-ND2 2.96Å; L430-N432 PolarHBondContact O-N 3.49Å; N432-T434 PolarHBondContact O-N 3.49Å |
| 433 | S | 46.8 | Very low | 58.1 | Low | 19 Ų | 19 | 78.2 Ų | 78.2 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | trans | -77.5 | 117.2 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | L430 | L430-S433 PolarHBondContact O-N 2.96Å; L430-S433 PolarHBondContact O-OG 3.45Å | ||
| 434 | T | 53.7 | Low | 60.1 | Low | 25 Ų | 25 | 74.4 Ų | 74.4 | 15% | 0.153 | 38% | 0.38 | C | S | . | . | trans | 92.3 | 39.1 | 157.3 | 71.9 | 0 | 0 | 0 | 0 | 121 | T414 N432 R436 V439 | T414-T434 HydrophobicContact CG2-CG2 3.27Å; N432-T434 PolarHBondContact O-N 3.49Å; T434-R436 PolarHBondContact O-N 2.83Å; T434-V439 HydrophobicContact CG2-CG1 4.48Å | ||
| 435 | D | 66.7 | Low | 61.9 | Low | 103 Ų | 103 | 70.6 Ų | 70.6 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -65.1 | 15.6 | 162.3 | -89.3 | -16.8 | 0 | 0 | 0 | 114.7 | N179 P180 | N179-D435 WeakPolarHBondContact CA-O 3.46Å; N179-D435 PolarHBondContact ND2-OD1 3.05Å; P180-D435 VanDerWaalsContact CD-C 3.4Å; P180-D435 WeakPolarHBondContact CD-O 3.49Å |
| 436 | R | 83.9 | Confident | 63.9 | Low | 61 Ų | 61 | 63.6 Ų | 63.6 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -133 | 139.7 | -177.8 | -67.9 | -171.1 | 175.7 | -139.8 | -2.1 | 110.9 | A176 W323 T434 V439 | A176-R436 WeakPolarHBondContact O-CD 3.43Å; W323-R436 VanDerWaalsContact CB-NH1 3.35Å; W323-R436 VanDerWaalsContact CD1-NE 3.34Å; T434-R436 PolarHBondContact O-N 2.83Å; R436-V439 HydrophobicContact CB-CG2 3.88Å; R436-V439 WeakPolarHBondContact O-CG2 3.35Å |
| 437 | R | 86.5 | Confident | 65.9 | Low | 32 Ų | 32 | 66.7 Ų | 66.7 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 152.7 | 178.3 | -64.3 | 170.1 | 68.1 | -158.3 | 4.4 | 111.3 | P180 D191 V439 Q453 | P180-R437 HydrophobicContact CB-CG 4.18Å; P180-R437 HydrophobicContact CG-CG 3.95Å; D191-R437 IonicContact OD1-CZ 3.35Å; D191-R437 IonicContact OD1-NH1 2.73Å; D191-R437 PolarHBondContact OD1-NH1 3.39Å; D191-R437 IonicContact OD1-NH2 3.79Å; D191-R437 PolarHBondContact OD1-NH2 3.37Å; D191-R437 IonicContact OD2-CZ 3.29Å; D191-R437 IonicContact OD2-NH1 3.58Å; D191-R437 IonicContact OD2-NH2 3.77Å; D191-R437 PolarHBondContact OD2-NH2 3.36Å; R437-V439 VanDerWaalsContact C-N 3.33Å; R437-V439 PolarHBondContact O-N 3Å; R437-Q453 WeakPolarHBondContact O-CG 3.41Å; R437-Q453 PolarHBondContact O-NE2 3.24Å |
| 438 | F | 88.5 | Confident | 68.1 | Low | 39 Ų | 39 | 67.5 Ų | 67.5 | 17% | 0.171 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 35.3 | 171 | -40.5 | -52.8 | 0 | 0 | 0 | 115.5 | Q453 A454 I455 E457 L460 | F438-Q453 WeakPolarHBondContact O-CA 3.37Å; F438-A454 HydrophobicContact CB-CB 4.3Å; F438-A454 PolarHBondContact O-N 3.12Å; F438-I455 WeakPolarHBondContact CD2-O 3.44Å; F438-I455 WeakPolarHBondContact CE2-O 3.36Å; F438-E457 HydrophobicContact CD1-CB 4.2Å; F438-E457 HydrophobicContact CE1-CB 3.74Å; F438-E457 HydrophobicContact CZ-CB 4.43Å; F438-L460 HydrophobicContact CB-CB 4.43Å; F438-L460 HydrophobicContact CB-CD2 4.39Å; F438-L460 HydrophobicContact CD1-CD2 4.5Å |
| 439 | V | 89.3 | Confident | 70.5 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.1 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | W323 T414 T434 R436 R437 Y451 L452 Q453 | W323-V439 HydrophobicContact CH2-CG1 3.88Å; W323-V439 HydrophobicContact CH2-CG2 3.93Å; W323-V439 HydrophobicContact CZ2-CG2 4.42Å; T414-V439 PolarHBondContact N-O 3.18Å; T434-V439 HydrophobicContact CG2-CG1 4.48Å; R436-V439 HydrophobicContact CB-CG2 3.88Å; R436-V439 WeakPolarHBondContact O-CG2 3.35Å; R437-V439 VanDerWaalsContact C-N 3.33Å; R437-V439 PolarHBondContact O-N 3Å; V439-Y451 HydrophobicContact CG1-CD1 4.42Å; V439-L452 WeakPolarHBondContact CA-O 3.28Å; V439-Q453 HydrophobicContact CG2-CB 4.23Å; V439-Q453 HydrophobicContact CG2-CG 3.89Å |
| 440 | F | 90.5 | Very high | 73 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.8 | 170.5 | 62.9 | -77.2 | 0 | 0 | 0 | 110 | L311 A411 R412 V442 L452 A454 L460 W463 V464 L467 | L311-F440 HydrophobicContact CD1-CZ 3.95Å; L311-F440 HydrophobicContact CD2-CE1 4.22Å; L311-F440 HydrophobicContact CD2-CZ 4.34Å; A411-F440 HydrophobicContact CB-CD2 4.43Å; R412-F440 CarbonylContact O-C 3.57Å; R412-F440 WeakPolarHBondContact O-CA 3.47Å; R412-F440 WeakPolarHBondContact O-CB 3.46Å; F440-V442 HydrophobicContact CD2-CG2 3.9Å; F440-V442 HydrophobicContact CE2-CG2 3.69Å; F440-L452 HydrophobicContact CD1-CB 4.26Å; F440-L452 HydrophobicContact CD2-CB 4.36Å; F440-L452 HydrophobicContact CE1-CB 3.78Å; F440-L452 HydrophobicContact CE2-CB 3.88Å; F440-L452 HydrophobicContact CE2-CD1 3.85Å; F440-L452 HydrophobicContact CE2-CG 4.41Å; F440-L452 HydrophobicContact CZ-CB 3.58Å; F440-L452 HydrophobicContact CZ-CD1 3.93Å; F440-L452 HydrophobicContact CZ-CG 4.4Å; F440-L452 PolarHBondContact N-O 3.05Å; F440-L452 PolarHBondContact O-N 3.49Å; F440-A454 HydrophobicContact CE1-CB 4.44Å; F440-L460 HydrophobicContact CB-CD1 3.82Å; F440-L460 HydrophobicContact CD1-CD1 3.35Å; F440-L460 HydrophobicContact CE1-CD1 4.18Å; F440-L460 HydrophobicContact CG-CD1 3.89Å; F440-W463 HydrophobicContact CE1-CB 4.35Å; F440-W463 HydrophobicContact CE2-CB 4.42Å; F440-W463 HydrophobicContact CZ-CB 3.86Å; F440-W463 HydrophobicContact CZ-CG 4.34Å; F440-V464 HydrophobicContact CB-CG2 3.78Å; F440-V464 HydrophobicContact CD1-CG2 4.43Å; F440-V464 HydrophobicContact CD2-CG2 3.93Å; F440-V464 HydrophobicContact CG-CG2 3.81Å; F440-L467 HydrophobicContact CE2-CD1 4Å |
| 441 | E | 88.5 | Confident | 75.7 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.051 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.9 | 173.6 | 73.3 | -160.7 | 134.6 | 0 | 0 | 111.8 | A411 R412 T449 Y450 Y451 | A411-E441 CarbonylContact C-O 3.32Å; A411-E441 WeakPolarHBondContact CA-O 3.15Å; R412-E441 HydrophobicContact CG-CG 3.54Å; R412-E441 IonicContact CZ-OE1 3.45Å; R412-E441 PolarHBondContact N-O 3.32Å; R412-E441 IonicContact NE-OE1 3.66Å; R412-E441 PolarHBondContact NE-OE1 3.14Å; R412-E441 IonicContact NH2-OE1 2.72Å; R412-E441 PolarHBondContact NH2-OE1 3.26Å; R412-E441 IonicContact NH2-OE2 3.44Å; R412-E441 PolarHBondContact NH2-OE2 3.47Å; R412-E441 PolarHBondContact O-N 3.49Å; E441-T449 HydrophobicContact CB-CG2 3.82Å; E441-T449 HydrophobicContact CG-CG2 4.05Å; E441-T449 WeakPolarHBondContact OE2-CG2 3.3Å; E441-Y450 CarbonylContact C-O 3.59Å; E441-Y450 WeakPolarHBondContact CA-O 3.39Å; E441-Y450 WeakPolarHBondContact CB-O 3.48Å; E441-Y451 HydrophobicContact CB-CD1 3.92Å; E441-Y451 HydrophobicContact CB-CE1 3.86Å; E441-Y451 HydrophobicContact CB-CG 4.5Å; E441-Y451 WeakPolarHBondContact OE2-CE1 3.45Å; E441-Y451 VanDerWaalsContact OE2-CZ 3.31Å; E441-Y451 PolarHBondContact OE2-OH 3.13Å |
| 442 | V | 88.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.5 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | V403 C409 F440 Y450 L452 L467 | V403-V442 HydrophobicContact CG2-CG1 4.27Å; C409-V442 WeakPolarHBondContact SG-CG1 3.34Å; F440-V442 HydrophobicContact CD2-CG2 3.9Å; F440-V442 HydrophobicContact CE2-CG2 3.69Å; V442-Y450 PolarHBondContact N-O 3.08Å; V442-Y450 PolarHBondContact O-N 2.73Å; V442-L452 HydrophobicContact CG2-CD1 3.64Å; V442-L452 HydrophobicContact CG2-CG 4.33Å; V442-L467 HydrophobicContact CG2-CD1 3.88Å |
| 443 | I | 84 | Confident | 80.4 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.1 | -178.7 | -55.4 | 172.4 | 0 | 0 | 0 | 107.3 | C409 T410 T449 | C409-I443 WeakPolarHBondContact CA-O 3.42Å; C409-I443 PolarHBondContact SG-O 3.25Å; T410-I443 HydrophobicContact CG2-CB 3.93Å; T410-I443 HydrophobicContact CG2-CD1 4.21Å; T410-I443 HydrophobicContact CG2-CG1 4.44Å; T410-I443 PolarHBondContact N-O 3.04Å; T410-I443 PolarHBondContact O-N 2.88Å; I443-T449 HydrophobicContact CG1-CG2 4.42Å |
| 444 | S | 80.8 | Confident | 82.5 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | trans | -84.9 | 166.6 | 176.3 | 80.9 | 0 | 0 | 0 | 0 | 112.1 | G446 H447 R448 | S444-G446 PolarHBondContact O-N 3.45Å; S444-G446 VanDerWaalsContact O-N 3.13Å; S444-G446 PolarHBondContact OG-N 2.93Å; S444-H447 PolarHBondContact O-N 3.39Å; S444-R448 PolarHBondContact N-O 3.41Å | ||
| 445 | S | 71.4 | Confident | 83.9 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -32.6 | 175.2 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | H447 | S445-H447 PolarHBondContact O-N 2.88Š|
| 446 | G | 74.1 | Confident | 84.7 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 56% | 0.557 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 19.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S444 R448 | S444-G446 PolarHBondContact O-N 3.45Å; S444-G446 VanDerWaalsContact O-N 3.13Å; S444-G446 PolarHBondContact OG-N 2.93Å; G446-R448 PolarHBondContact O-N 3.08Å |
| 447 | H | 71.9 | Confident | 84.7 | Confident | 164 Ų | 164 | 45.8 Ų | 45.8 | 76% | 0.759 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 55.8 | 19 | -173.4 | -59.2 | -75.1 | 0 | 0 | 0 | 114.6 | S444 S445 | S444-H447 PolarHBondContact O-N 3.39Å; S445-H447 PolarHBondContact O-N 2.88Å |
| 448 | R | 80.3 | Confident | 84.5 | Confident | 173 Ų | 173 | 49.1 Ų | 49.1 | 65% | 0.653 | 26% | 0.256 | S | S | * | . | trans | -79.4 | 126.9 | 172.6 | -70.4 | -174.7 | 179.5 | -178.5 | 1.7 | 109 | S444 G446 Y450 | S444-R448 PolarHBondContact N-O 3.41Å; G446-R448 PolarHBondContact O-N 3.08Å; R448-Y450 HydrophobicContact CB-CE2 4.23Å | ||
| 449 | T | 82.4 | Confident | 84.3 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.2 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | E441 I443 Y451 | E441-T449 HydrophobicContact CB-CG2 3.82Å; E441-T449 HydrophobicContact CG-CG2 4.05Å; E441-T449 WeakPolarHBondContact OE2-CG2 3.3Å; I443-T449 HydrophobicContact CG1-CG2 4.42Å; T449-Y451 HydrophobicContact CG2-CE2 3.85Å |
| 450 | Y | 88.4 | Confident | 84.2 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.6 | 175.2 | -57.8 | -74.1 | 0 | 0 | 0 | 109.7 | M402 V403 E441 V442 R448 | M402-Y450 HydrophobicContact CG-CD1 4.36Å; M402-Y450 HydrophobicContact CG-CD2 4.22Å; M402-Y450 HydrophobicContact CG-CE1 4.34Å; M402-Y450 HydrophobicContact CG-CE2 4.17Å; M402-Y450 HydrophobicContact CG-CG 4.29Å; M402-Y450 HydrophobicContact SD-CD1 4.38Å; M402-Y450 HydrophobicContact SD-CG 4.18Å; V403-Y450 HydrophobicContact CG2-CD2 4.45Å; V403-Y450 HydrophobicContact CG2-CE2 4.28Å; E441-Y450 CarbonylContact C-O 3.59Å; E441-Y450 WeakPolarHBondContact CA-O 3.39Å; E441-Y450 WeakPolarHBondContact CB-O 3.48Å; V442-Y450 PolarHBondContact N-O 3.08Å; V442-Y450 PolarHBondContact O-N 2.73Å; R448-Y450 HydrophobicContact CB-CE2 4.23Å |
| 451 | Y | 89 | Confident | 83.9 | Confident | 46 Ų | 46 | 52.1 Ų | 52.1 | 18% | 0.18 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.2 | 176.3 | -66.6 | -91.6 | 0 | 0 | 0 | 109.6 | R314 V439 E441 T449 | R314-Y451 PolarHBondContact N-O 3.39Å; V439-Y451 HydrophobicContact CG1-CD1 4.42Å; E441-Y451 HydrophobicContact CB-CD1 3.92Å; E441-Y451 HydrophobicContact CB-CE1 3.86Å; E441-Y451 HydrophobicContact CB-CG 4.5Å; E441-Y451 WeakPolarHBondContact OE2-CE1 3.45Å; E441-Y451 VanDerWaalsContact OE2-CZ 3.31Å; E441-Y451 PolarHBondContact OE2-OH 3.13Å; T449-Y451 HydrophobicContact CG2-CE2 3.85Å |
| 452 | L | 92.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 155.2 | -179.9 | -58.9 | 179.1 | 0 | 0 | 0 | 110.1 | L311 F312 K313 F328 M402 V439 F440 V442 | L311-L452 HydrophobicContact CD1-CB 4.46Å; L311-L452 HydrophobicContact CD1-CD1 3.98Å; F312-L452 CarbonylContact O-C 3.4Å; F312-L452 WeakPolarHBondContact O-CA 3.42Å; K313-L452 HydrophobicContact CB-CD2 3.89Å; K313-L452 HydrophobicContact CG-CD2 4.02Å; F328-L452 HydrophobicContact CE1-CD2 4.2Å; F328-L452 HydrophobicContact CE2-CD2 4.46Å; F328-L452 HydrophobicContact CZ-CD2 3.82Å; M402-L452 HydrophobicContact CE-CD1 3.83Å; M402-L452 HydrophobicContact CE-CD2 4.32Å; M402-L452 HydrophobicContact SD-CD2 4.37Å; V439-L452 WeakPolarHBondContact CA-O 3.28Å; F440-L452 HydrophobicContact CD1-CB 4.26Å; F440-L452 HydrophobicContact CD2-CB 4.36Å; F440-L452 HydrophobicContact CE1-CB 3.78Å; F440-L452 HydrophobicContact CE2-CB 3.88Å; F440-L452 HydrophobicContact CE2-CD1 3.85Å; F440-L452 HydrophobicContact CE2-CG 4.41Å; F440-L452 HydrophobicContact CZ-CB 3.58Å; F440-L452 HydrophobicContact CZ-CD1 3.93Å; F440-L452 HydrophobicContact CZ-CG 4.4Å; F440-L452 PolarHBondContact N-O 3.05Å; F440-L452 PolarHBondContact O-N 3.49Å; V442-L452 HydrophobicContact CG2-CD1 3.64Å; V442-L452 HydrophobicContact CG2-CG 4.33Å |
| 453 | Q | 90.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 127.1 | 178.6 | -165.5 | -173.5 | -2.5 | 0 | 0 | 109.5 | A176 L311 F312 W323 R437 F438 V439 | A176-Q453 PolarHBondContact O-NE2 2.76Å; A176-Q453 PolarHBondContact O-OE1 3.4Å; L311-Q453 WeakPolarHBondContact CA-O 3.33Å; L311-Q453 WeakPolarHBondContact CD2-O 3.36Å; F312-Q453 HydrophobicContact CB-CB 3.86Å; F312-Q453 HydrophobicContact CD2-CB 4.42Å; F312-Q453 PolarHBondContact N-O 3.02Å; F312-Q453 PolarHBondContact O-N 3.23Å; W323-Q453 HydrophobicContact CE3-CB 4.35Å; W323-Q453 HydrophobicContact CZ3-CB 3.91Å; R437-Q453 WeakPolarHBondContact O-CG 3.41Å; R437-Q453 PolarHBondContact O-NE2 3.24Å; F438-Q453 WeakPolarHBondContact O-CA 3.37Å; V439-Q453 HydrophobicContact CG2-CB 4.23Å; V439-Q453 HydrophobicContact CG2-CG 3.89Å |
| 454 | A | 90.3 | Very high | 83.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | trans | -84.4 | 163.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L311 F438 F440 E459 L460 | L311-A454 HydrophobicContact CD2-CB 4.12Å; F438-A454 HydrophobicContact CB-CB 4.3Å; F438-A454 PolarHBondContact O-N 3.12Å; F440-A454 HydrophobicContact CE1-CB 4.44Å; A454-E459 HydrophobicContact CB-CB 3.96Å; A454-L460 HydrophobicContact CB-CB 3.93Å | ||
| 455 | I | 83.5 | Confident | 83.7 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -81 | -33.6 | -179.8 | -61.1 | 173.2 | 0 | 0 | 0 | 111 | V194 F438 E459 | V194-I455 HydrophobicContact CG1-CG2 4.42Å; F438-I455 WeakPolarHBondContact CD2-O 3.44Å; F438-I455 WeakPolarHBondContact CE2-O 3.36Å; I455-E459 WeakPolarHBondContact CB-OE2 3.36Å; I455-E459 PolarHBondContact N-OE2 3.41Å |
| 456 | S | 84 | Confident | 84.1 | Confident | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -134.1 | 166.6 | 180 | 67.7 | 0 | 0 | 0 | 0 | 111.9 | N458 E459 L460 | S456-N458 VanDerWaalsContact C-N 3.33Å; S456-E459 PolarHBondContact O-N 3.38Å; S456-E459 PolarHBondContact OG-N 2.95Å; S456-L460 PolarHBondContact O-N 2.98Å |
| 457 | E | 83.4 | Confident | 84.5 | Confident | 131 Ų | 131 | 52.6 Ų | 52.6 | 61% | 0.612 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 173.7 | -171.3 | 167.3 | -157.5 | 0 | 0 | 112 | F438 E459 L460 D461 | F438-E457 HydrophobicContact CD1-CB 4.2Å; F438-E457 HydrophobicContact CE1-CB 3.74Å; F438-E457 HydrophobicContact CZ-CB 4.43Å; E457-E459 PolarHBondContact O-N 3.34Å; E457-L460 WeakPolarHBondContact O-CB 3.41Å; E457-L460 PolarHBondContact O-N 3.46Å; E457-D461 PolarHBondContact O-N 3.39Å |
| 458 | N | 82.6 | Confident | 84.8 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 54% | 0.54 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.8 | -176.9 | 50.3 | 0 | 0 | 0 | 111.8 | S456 D461 I462 | S456-N458 VanDerWaalsContact C-N 3.33Å; N458-D461 PolarHBondContact O-N 3.46Å; N458-I462 WeakPolarHBondContact O-CD1 3.45Å; N458-I462 VanDerWaalsContact O-CG1 3.22Å; N458-I462 WeakPolarHBondContact O-CG1 3.21Å; N458-I462 PolarHBondContact O-N 3.38Å; N458-I462 VanDerWaalsContact O-N 3.12Å |
| 459 | E | 84.4 | Confident | 84.2 | Confident | 31 Ų | 31 | 45 Ų | 45 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 175.4 | -77.3 | -178.5 | -166.5 | 0 | 0 | 112.4 | A454 I455 S456 E457 D461 I462 W463 | A454-E459 HydrophobicContact CB-CB 3.96Å; I455-E459 WeakPolarHBondContact CB-OE2 3.36Å; I455-E459 PolarHBondContact N-OE2 3.41Å; S456-E459 PolarHBondContact O-N 3.38Å; S456-E459 PolarHBondContact OG-N 2.95Å; E457-E459 PolarHBondContact O-N 3.34Å; E459-D461 VanDerWaalsContact C-N 3.33Å; E459-D461 PolarHBondContact O-N 3.13Å; E459-I462 PolarHBondContact O-N 3Å; E459-W463 WeakPolarHBondContact O-CB 3.31Å; E459-W463 PolarHBondContact O-N 3.43Å |
| 460 | L | 87 | Confident | 83.1 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.3 | -50.7 | 176.4 | 174 | 68.4 | 0 | 0 | 0 | 110.8 | I413 F438 F440 A454 S456 E457 W463 V464 | I413-L460 HydrophobicContact CD1-CD2 4.16Å; I413-L460 HydrophobicContact CD1-CG 4.38Å; I413-L460 HydrophobicContact CG1-CD1 4.37Å; I413-L460 HydrophobicContact CG1-CD2 4.25Å; I413-L460 HydrophobicContact CG1-CG 4.3Å; I413-L460 HydrophobicContact CG2-CD2 4.2Å; F438-L460 HydrophobicContact CB-CB 4.43Å; F438-L460 HydrophobicContact CB-CD2 4.39Å; F438-L460 HydrophobicContact CD1-CD2 4.5Å; F440-L460 HydrophobicContact CB-CD1 3.82Å; F440-L460 HydrophobicContact CD1-CD1 3.35Å; F440-L460 HydrophobicContact CE1-CD1 4.18Å; F440-L460 HydrophobicContact CG-CD1 3.89Å; A454-L460 HydrophobicContact CB-CB 3.93Å; S456-L460 PolarHBondContact O-N 2.98Å; E457-L460 WeakPolarHBondContact O-CB 3.41Å; E457-L460 PolarHBondContact O-N 3.46Å; L460-W463 PolarHBondContact O-N 3.4Å; L460-V464 HydrophobicContact CD1-CG2 4.05Å; L460-V464 WeakPolarHBondContact O-CB 3.24Å; L460-V464 VanDerWaalsContact O-CG2 3.26Å; L460-V464 WeakPolarHBondContact O-CG2 3.27Å; L460-V464 PolarHBondContact O-N 2.82Å |
| 461 | D | 84.5 | Confident | 81.3 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.1 | -42.9 | -178.5 | -73.5 | -23.1 | 0 | 0 | 0 | 111.5 | E457 N458 E459 V464 N465 | E457-D461 PolarHBondContact O-N 3.39Å; N458-D461 PolarHBondContact O-N 3.46Å; E459-D461 VanDerWaalsContact C-N 3.33Å; E459-D461 PolarHBondContact O-N 3.13Å; D461-V464 PolarHBondContact O-N 3.4Å; D461-N465 WeakPolarHBondContact O-CB 3.22Å; D461-N465 PolarHBondContact O-N 3.25Å; D461-N465 PolarHBondContact O-ND2 3.09Å |
| 462 | I | 83 | Confident | 79.3 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.195 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -53.3 | 176 | -67.6 | 163.2 | 0 | 0 | 0 | 110.3 | F32 L307 N458 E459 V464 N465 T466 | F32-I462 HydrophobicContact CD1-CD1 4.23Å; F32-I462 HydrophobicContact CD1-CG2 4.4Å; F32-I462 HydrophobicContact CE1-CD1 4.01Å; F32-I462 HydrophobicContact CE1-CG2 4Å; L307-I462 HydrophobicContact CD1-CG2 3.7Å; N458-I462 WeakPolarHBondContact O-CD1 3.45Å; N458-I462 VanDerWaalsContact O-CG1 3.22Å; N458-I462 WeakPolarHBondContact O-CG1 3.21Å; N458-I462 PolarHBondContact O-N 3.38Å; N458-I462 VanDerWaalsContact O-N 3.12Å; E459-I462 PolarHBondContact O-N 3Å; I462-V464 PolarHBondContact O-N 2.65Å; I462-N465 PolarHBondContact O-N 2.89Å; I462-T466 WeakPolarHBondContact O-CB 3.32Å; I462-T466 PolarHBondContact O-N 2.98Å; I462-T466 PolarHBondContact O-OG1 3.15Å |
| 463 | W | 87.3 | Confident | 76.8 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | -178.9 | -84.8 | 103.1 | 0 | 0 | 0 | 112.4 | L307 L311 F328 V330 L335 F440 E459 L460 L467 | L307-W463 HydrophobicContact CD1-CD2 4.43Å; L307-W463 HydrophobicContact CD1-CZ2 4.45Å; L307-W463 HydrophobicContact CD2-CD2 3.87Å; L307-W463 HydrophobicContact CD2-CE3 3.5Å; L307-W463 HydrophobicContact CD2-CH2 4.26Å; L307-W463 HydrophobicContact CD2-CZ3 3.71Å; L307-W463 HydrophobicContact CG-CD2 4.21Å; L307-W463 HydrophobicContact CG-CE3 4.06Å; L307-W463 HydrophobicContact CG-CH2 3.95Å; L307-W463 HydrophobicContact CG-CZ2 4.12Å; L307-W463 HydrophobicContact CG-CZ3 3.92Å; L311-W463 HydrophobicContact CD1-CD2 3.83Å; L311-W463 HydrophobicContact CD1-CE3 4.05Å; L311-W463 HydrophobicContact CD1-CG 4.34Å; L311-W463 HydrophobicContact CD1-CH2 4.29Å; L311-W463 HydrophobicContact CD1-CZ2 4.05Å; L311-W463 HydrophobicContact CD1-CZ3 4.29Å; L311-W463 HydrophobicContact CD2-CD2 4.36Å; L311-W463 HydrophobicContact CD2-CG 4.19Å; L311-W463 HydrophobicContact CG-CD2 4.45Å; L311-W463 HydrophobicContact CG-CZ2 4.27Å; F328-W463 HydrophobicContact CB-CH2 3.58Å; F328-W463 HydrophobicContact CB-CZ2 4.07Å; F328-W463 HydrophobicContact CB-CZ3 4.32Å; V330-W463 HydrophobicContact CG2-CZ3 4.17Å; L335-W463 HydrophobicContact CD1-CH2 4.41Å; L335-W463 HydrophobicContact CD1-CZ3 3.83Å; F440-W463 HydrophobicContact CE1-CB 4.35Å; F440-W463 HydrophobicContact CE2-CB 4.42Å; F440-W463 HydrophobicContact CZ-CB 3.86Å; F440-W463 HydrophobicContact CZ-CG 4.34Å; E459-W463 WeakPolarHBondContact O-CB 3.31Å; E459-W463 PolarHBondContact O-N 3.43Å; L460-W463 PolarHBondContact O-N 3.4Å; W463-L467 HydrophobicContact CE3-CD1 4.33Å; W463-L467 WeakPolarHBondContact O-CB 3.38Å; W463-L467 WeakPolarHBondContact O-CG 3.41Å; W463-L467 PolarHBondContact O-N 2.87Å |
| 464 | V | 85.9 | Confident | 74.4 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67 | -44.2 | -179.6 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | A411 I413 F440 L460 D461 I462 L467 R468 | A411-V464 HydrophobicContact CB-CG1 4.3Å; A411-V464 HydrophobicContact CB-CG2 4.45Å; I413-V464 HydrophobicContact CG1-CG1 4.32Å; I413-V464 HydrophobicContact CG1-CG2 3.96Å; F440-V464 HydrophobicContact CB-CG2 3.78Å; F440-V464 HydrophobicContact CD1-CG2 4.43Å; F440-V464 HydrophobicContact CD2-CG2 3.93Å; F440-V464 HydrophobicContact CG-CG2 3.81Å; L460-V464 HydrophobicContact CD1-CG2 4.05Å; L460-V464 WeakPolarHBondContact O-CB 3.24Å; L460-V464 VanDerWaalsContact O-CG2 3.26Å; L460-V464 WeakPolarHBondContact O-CG2 3.27Å; L460-V464 PolarHBondContact O-N 2.82Å; D461-V464 PolarHBondContact O-N 3.4Å; I462-V464 PolarHBondContact O-N 2.65Å; V464-L467 PolarHBondContact O-N 3.4Å; V464-R468 HydrophobicContact CG1-CG 4.3Å; V464-R468 VanDerWaalsContact O-CB 3.27Å; V464-R468 WeakPolarHBondContact O-CB 3.28Å; V464-R468 VanDerWaalsContact O-CG 3.23Å; V464-R468 WeakPolarHBondContact O-CG 3.47Å; V464-R468 PolarHBondContact O-N 2.78Å |
| 465 | N | 82.3 | Confident | 71.8 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | -179.4 | -70.8 | -27.7 | 0 | 0 | 0 | 111.6 | D461 I462 L467 R468 S469 | D461-N465 WeakPolarHBondContact O-CB 3.22Å; D461-N465 PolarHBondContact O-N 3.25Å; D461-N465 PolarHBondContact O-ND2 3.09Å; I462-N465 PolarHBondContact O-N 2.89Å; N465-L467 PolarHBondContact O-N 3.18Å; N465-R468 PolarHBondContact O-N 2.84Å; N465-S469 PolarHBondContact O-N 3.32Å; N465-S469 PolarHBondContact O-OG 3.02Å |
| 466 | T | 78.7 | Confident | 69.4 | Low | 54 Ų | 54 | 67 Ų | 67 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | L307 I462 S469 | L307-T466 HydrophobicContact CB-CG2 4.4Å; L307-T466 HydrophobicContact CD2-CG2 3.53Å; I462-T466 WeakPolarHBondContact O-CB 3.32Å; I462-T466 PolarHBondContact O-N 2.98Å; I462-T466 PolarHBondContact O-OG1 3.15Å; T466-S469 PolarHBondContact O-OG 3.26Å; T466-S469 VanDerWaalsContact O-OG 3.07Å |
| 467 | L | 83 | Confident | 66.9 | Low | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.8 | -29.2 | 176.3 | -69.1 | 172.8 | 0 | 0 | 0 | 112.4 | L335 L406 A411 F440 V442 W463 V464 N465 | L335-L467 HydrophobicContact CD2-CD1 4.39Å; L335-L467 HydrophobicContact CD2-CD2 4.11Å; L406-L467 HydrophobicContact CD1-CD2 4.49Å; L406-L467 HydrophobicContact CD2-CD2 3.8Å; A411-L467 HydrophobicContact CB-CB 3.72Å; A411-L467 HydrophobicContact CB-CD1 4.2Å; F440-L467 HydrophobicContact CE2-CD1 4Å; V442-L467 HydrophobicContact CG2-CD1 3.88Å; W463-L467 HydrophobicContact CE3-CD1 4.33Å; W463-L467 WeakPolarHBondContact O-CB 3.38Å; W463-L467 WeakPolarHBondContact O-CG 3.41Å; W463-L467 PolarHBondContact O-N 2.87Å; V464-L467 PolarHBondContact O-N 3.4Å; N465-L467 PolarHBondContact O-N 3.18Å |
| 468 | R | 78 | Confident | 64.2 | Low | 125 Ų | 125 | 69.9 Ų | 69.9 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75.5 | -38.5 | 177.2 | -83.5 | 178.1 | 175.2 | 171.2 | -2.3 | 114 | A411 V464 N465 G470 | A411-R468 HydrophobicContact CB-CG 4.44Å; A411-R468 WeakPolarHBondContact O-CG 3.44Å; A411-R468 PolarHBondContact O-NE 2.99Å; A411-R468 PolarHBondContact O-NH2 3.18Å; V464-R468 HydrophobicContact CG1-CG 4.3Å; V464-R468 VanDerWaalsContact O-CB 3.27Å; V464-R468 WeakPolarHBondContact O-CB 3.28Å; V464-R468 VanDerWaalsContact O-CG 3.23Å; V464-R468 WeakPolarHBondContact O-CG 3.47Å; V464-R468 PolarHBondContact O-N 2.78Å; N465-R468 PolarHBondContact O-N 2.84Å; R468-G470 PolarHBondContact O-N 3.38Å |
| 469 | S | 67.5 | Low | 61.6 | Low | 53 Ų | 53 | 73 Ų | 73 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -60.5 | -16.7 | 179.7 | 56.6 | 0 | 0 | 0 | 0 | 112 | N465 T466 | N465-S469 PolarHBondContact O-N 3.32Å; N465-S469 PolarHBondContact O-OG 3.02Å; T466-S469 PolarHBondContact O-OG 3.26Å; T466-S469 VanDerWaalsContact O-OG 3.07Å |
| 470 | G | 58.4 | Low | 59 | Low | 9 Ų | 9 | 77.4 Ų | 77.4 | 9% | 0.093 | 41% | 0.41 | C | S | . | . | trans | 60.8 | 160.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | R468 H472 | R468-G470 PolarHBondContact O-N 3.38Å; G470-H472 PolarHBondContact O-N 3.24Å | ||
| 471 | F | 50.7 | Low | 56.2 | Low | 55 Ų | 55 | 88 Ų | 88 | 24% | 0.241 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -69.2 | 7 | 175.1 | -138.2 | -97.1 | 0 | 0 | 0 | 112.8 | V330 | V330-F471 HydrophobicContact CG1-CD2 3.91Å; V330-F471 HydrophobicContact CG1-CE2 3.56Å |
| 472 | H | 47.3 | Very low | 53.4 | Low | 120 Ų | 120 | 90 Ų | 90 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -76.8 | -27.3 | -168 | -152.6 | -70.9 | 0 | 0 | 0 | 113.9 | G470 | G470-H472 PolarHBondContact O-N 3.24Š|
| 473 | D | 40.7 | Very low | 50.7 | Low | 116 Ų | 116 | 96.1 Ų | 96.1 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -81.4 | -15.1 | 178.7 | -78.9 | -17.7 | 0 | 0 | 0 | 113.7 | ||
| 474 | L | 40.1 | Very low | 47.9 | Very low | 70 Ų | 70 | 105.2 Ų | 105.2 | 37% | 0.366 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -21.1 | -179.6 | -94 | 96.9 | 0 | 0 | 0 | 115.1 | P305 | P305-L474 HydrophobicContact CG-CD2 4.47Š|
| 475 | C | 36.7 | Very low | 45 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -82.3 | -9.2 | 177.1 | -71.6 | 0 | 0 | 0 | 0 | 113.9 | T477 S478 | C475-T477 PolarHBondContact O-N 3.12Å; C475-T477 VanDerWaalsContact O-N 3.14Å; C475-S478 PolarHBondContact O-OG 2.83Å |
| 476 | R | 32 | Very low | 42.4 | Very low | 195 Ų | 195 | 112.2 Ų | 112.2 | 74% | 0.736 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -73.4 | 2.1 | -178.9 | -84.5 | -167 | 173.4 | -170.5 | 0.1 | 115.1 | ||
| 477 | T | 30.9 | Very low | 39.7 | Very low | 133 Ų | 133 | 117.5 Ų | 117.5 | 82% | 0.816 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -100.5 | 24.2 | 175.1 | 63.6 | 0 | 0 | 0 | 0 | 114.1 | C475 | C475-T477 PolarHBondContact O-N 3.12Å; C475-T477 VanDerWaalsContact O-N 3.14Å |
| 478 | S | 27.7 | Very low | 37 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | trans | -122.1 | 53.1 | 164.7 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | C475 | C475-S478 PolarHBondContact O-OG 2.83Š| ||
| 479 | E | 26.8 | Very low | 34.4 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 78% | 0.78 | 68% | 0.678 | S | S | * | * | trans | -68.7 | 127.9 | 155.4 | -83 | -166.7 | 166.6 | 0 | 0 | 107.9 | R481 | E479-R481 VanDerWaalsContact C-N 3.27Å; E479-R481 PolarHBondContact O-N 3.23Å | ||
| 480 | P | 31 | Very low | 32.4 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | trans | -70.8 | 89 | -177.7 | 29.7 | -31.9 | 0 | 0 | 0 | 107.8 | S482 | P480-S482 PolarHBondContact O-N 2.76Š| ||
| 481 | R | 27.6 | Very low | 30.7 | Very low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -60.6 | 107.1 | 168.6 | -75.7 | -175.6 | 176.4 | 170.5 | -0.4 | 106.8 | E479 L483 | E479-R481 VanDerWaalsContact C-N 3.27Å; E479-R481 PolarHBondContact O-N 3.23Å; R481-L483 PolarHBondContact O-N 2.69Å | ||
| 482 | S | 26 | Very low | 29.5 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -47.5 | 105.5 | 172.1 | 52.5 | 0 | 0 | 0 | 0 | 109 | P480 K484 | P480-S482 PolarHBondContact O-N 2.76Å; S482-K484 VanDerWaalsContact C-N 3.35Å; S482-K484 PolarHBondContact O-N 3.42Å | ||
| 483 | L | 26.7 | Very low | 28.5 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | trans | -69.5 | 96.8 | 177.2 | -129.7 | 87.6 | 0 | 0 | 0 | 106.9 | R481 N485 | R481-L483 PolarHBondContact O-N 2.69Å; L483-N485 PolarHBondContact O-N 3.44Å | ||
| 484 | K | 27.7 | Very low | 27.8 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -61.2 | 120.1 | 164.1 | -83.4 | -177.1 | 174.2 | 179.8 | 0 | 108.1 | S482 | S482-K484 VanDerWaalsContact C-N 3.35Å; S482-K484 PolarHBondContact O-N 3.42Å | ||
| 485 | N | 25.7 | Very low | 27.1 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -12.3 | 119.7 | 162 | -64.9 | -18.1 | 0 | 0 | 0 | 115.5 | L483 | L483-N485 PolarHBondContact O-N 3.44Š| ||
| 486 | G | 27 | Very low | 26.5 | Very low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -162.8 | 96 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L488 | G486-L488 PolarHBondContact O-N 2.92Š| ||
| 487 | M | 22.3 | Very low | 26.2 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | trans | -55.1 | 128.4 | 175.2 | -66.9 | 174.2 | 73.4 | 0 | 0 | 111.7 | ||||
| 488 | L | 25.7 | Very low | 25.8 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | -145.2 | 110.4 | 140.3 | -80.5 | -178.3 | 0 | 0 | 0 | 108.3 | G486 | G486-L488 PolarHBondContact O-N 2.92Š| ||
| 489 | K | 23.7 | Very low | 25.8 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | trans | -77.8 | 117.6 | 171.1 | -76.9 | 173.8 | 170.2 | 177.8 | 0 | 108 | ||||
| 490 | E | 25.5 | Very low | 25.7 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -138.3 | 122.8 | 149.9 | -76.3 | -164.8 | 161 | 0 | 0 | 110 | ||||
| 491 | N | 23.7 | Very low | 25.4 | Very low | 157 Ų | 157 | 154.4 Ų | 154.4 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | -76 | 116.4 | -177.8 | -65.7 | -40.1 | 0 | 0 | 0 | 109.5 | ||||
| 492 | F | 25.7 | Very low | 25.3 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 82% | 0.82 | 82% | 0.818 | S | S | * | * | trans | -125.2 | 118.5 | 155.2 | -84.4 | -80.8 | 0 | 0 | 0 | 108.8 | S494 | F492-S494 PolarHBondContact O-N 2.87Š| ||
| 493 | A | 25.9 | Very low | 25.1 | Very low | 94 Ų | 94 | 149 Ų | 149 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | -67.8 | 107 | -176 | 0 | 0 | 0 | 0 | 0 | 110.5 | N495 | A493-N495 PolarHBondContact O-N 3.26Å; A493-N495 VanDerWaalsContact O-N 3.08Å | ||
| 494 | S | 24.5 | Very low | 24.9 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 91.8 | 171.9 | -48.4 | 0 | 0 | 0 | 0 | 110.1 | F492 S496 | F492-S494 PolarHBondContact O-N 2.87Å; S494-S496 PolarHBondContact O-N 3.47Å | ||
| 495 | N | 25.8 | Very low | 24.9 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -78.1 | 95.7 | 164.2 | -86.7 | -16.4 | 0 | 0 | 0 | 109.5 | A493 | A493-N495 PolarHBondContact O-N 3.26Å; A493-N495 VanDerWaalsContact O-N 3.08Å | ||
| 496 | S | 24.3 | Very low | 25 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | 43.1 | 92.1 | 138.3 | -159.2 | 0 | 0 | 0 | 0 | 117.8 | S494 | S494-S496 PolarHBondContact O-N 3.47Š| ||
| 497 | L | 25.1 | Very low | 24.9 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -145.9 | 51.8 | 147.4 | -158.9 | 69.4 | 0 | 0 | 0 | 110.5 | ||||
| 498 | D | 24.3 | Very low | 25.2 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -101.9 | 84 | 167.9 | -80.5 | -33.6 | 0 | 0 | 0 | 109.2 | ||||
| 499 | L | 26.6 | Very low | 25.1 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -133.2 | 52 | 163.4 | -81.8 | 177 | 0 | 0 | 0 | 110.2 | ||||
| 500 | L | 24.4 | Very low | 25.2 | Very low | 176 Ų | 176 | 142 Ų | 142 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -145.6 | 50.1 | 162.4 | -73.9 | -180 | 0 | 0 | 0 | 110.6 | S502 | L500-S502 PolarHBondContact O-N 3.31Š| ||
| 501 | T | 25.8 | Very low | 25.1 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -91 | 93.7 | 166 | 34 | 0 | 0 | 0 | 0 | 110.3 | C503 | T501-C503 PolarHBondContact O-N 2.94Š| ||
| 502 | S | 24.1 | Very low | 25 | Very low | 92 Ų | 92 | 144 Ų | 144 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | trans | 24.7 | 91.2 | 135.1 | 60.6 | 0 | 0 | 0 | 0 | 116.5 | L500 S504 | L500-S502 PolarHBondContact O-N 3.31Å; S502-S504 PolarHBondContact O-N 2.9Å | ||
| 503 | C | 22.3 | Very low | 25 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 89.4 | 153.9 | -78.6 | 0 | 0 | 0 | 0 | 108.7 | T501 | T501-C503 PolarHBondContact O-N 2.94Š| ||
| 504 | S | 23.1 | Very low | 24.9 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 122.5 | 166.6 | -45.5 | 0 | 0 | 0 | 0 | 108.2 | S502 T506 | S502-S504 PolarHBondContact O-N 2.9Å; S504-T506 PolarHBondContact O-N 2.73Å |
| 505 | P | 28.2 | Very low | 25 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 119.8 | -179.6 | 27.6 | -29.8 | 0 | 0 | 0 | 109.2 | R507 | P505-R507 PolarHBondContact O-N 2.79Š|
| 506 | T | 27.6 | Very low | 25.7 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 118.3 | 176.1 | 32.1 | 0 | 0 | 0 | 0 | 110.6 | S504 N508 | S504-T506 PolarHBondContact O-N 2.73Å; T506-N508 PolarHBondContact O-N 3.4Å |
| 507 | R | 24.2 | Very low | 25.8 | Very low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -63.8 | 83.8 | 173.9 | -177.7 | -177.1 | 178.3 | 176.1 | -1.1 | 110.2 | P505 S509 | P505-R507 PolarHBondContact O-N 2.79Å; R507-S509 PolarHBondContact O-N 3.17Å | ||
| 508 | N | 29.7 | Very low | 25.7 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -89.2 | 99.7 | 162.6 | -80.2 | -6.8 | 0 | 0 | 0 | 108.9 | T506 L510 | T506-N508 PolarHBondContact O-N 3.4Å; N508-L510 PolarHBondContact O-N 3.36Å | ||
| 509 | S | 22.7 | Very low | 25.9 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -57.4 | 110.5 | 169.5 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | R507 | R507-S509 PolarHBondContact O-N 3.17Š| ||
| 510 | L | 26.1 | Very low | 25.7 | Very low | 162 Ų | 162 | 136 Ų | 136 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -127.1 | 109.3 | 165.8 | -86 | 159.3 | 0 | 0 | 0 | 107.5 | N508 | N508-L510 PolarHBondContact O-N 3.36Š| ||
| 511 | E | 24.2 | Very low | 25.7 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -63.2 | 142 | -172.9 | -70.6 | 172.7 | 143.3 | 0 | 0 | 112.3 | S513 | E511-S513 PolarHBondContact O-N 3.47Š| ||
| 512 | F | 21.1 | Very low | 25.5 | Very low | 196 Ų | 196 | 133.8 Ų | 133.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -62.8 | 120.6 | 167.5 | -84.5 | -97.5 | 0 | 0 | 0 | 110.5 | ||||
| 513 | S | 25.8 | Very low | 25.6 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -133.4 | 99.2 | 155.6 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | E511 | E511-S513 PolarHBondContact O-N 3.47Š| ||
| 514 | N | 23.1 | Very low | 25.6 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -71.7 | 122.7 | 164.8 | -76.9 | -39.6 | 0 | 0 | 0 | 108.7 | ||||
| 515 | S | 26.3 | Very low | 25.7 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -168.8 | 136.3 | 140.5 | 17 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 516 | P | 40.4 | Very low | 25.7 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -99.2 | 135.2 | -172.7 | 36 | -28.6 | 0 | 0 | 0 | 112.3 | ||||
| 517 | T | 27.3 | Very low | 25.6 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -141.8 | 99.2 | 165.6 | 40.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 518 | T | 22.4 | Very low | 25.6 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | 23.3 | 111 | 138.7 | 59.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 519 | S | 28.7 | Very low | 25.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -164.6 | 101.4 | 136.8 | 48.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 520 | S | 21.6 | Very low | 25.6 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 41.5 | 118.5 | 133.1 | 48.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 521 | V | 24.3 | Very low | 25.8 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | 105.4 | 100.8 | 128.8 | 178 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 522 | S | 22.6 | Very low | 25.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 45.9 | 113.2 | 140.2 | 71.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 523 | G | 26.5 | Very low | 26.4 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | 176.6 | 101.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 524 | F | 22.9 | Very low | 26.7 | Very low | 204 Ų | 204 | 129.5 Ų | 129.5 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -42.3 | 135.9 | -168.7 | -77.3 | -97.4 | 0 | 0 | 0 | 115 | N526 | F524-N526 PolarHBondContact O-N 2.69Š| ||
| 525 | P | 24.8 | Very low | 26.9 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -72.8 | 122.3 | -175.6 | 29.1 | -31.7 | 0 | 0 | 0 | 110.6 | G527 | P525-G527 PolarHBondContact O-N 3.07Š| ||
| 526 | N | 27.4 | Very low | 27 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -49.2 | 102.8 | 167.1 | -77.9 | -25.6 | 0 | 0 | 0 | 110.1 | F524 R528 | F524-N526 PolarHBondContact O-N 2.69Å; N526-R528 PolarHBondContact O-N 3.35Å; N526-R528 VanDerWaalsContact O-N 3.1Å | ||
| 527 | G | 25.4 | Very low | 26.4 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | -61.3 | 111 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P525 T529 | P525-G527 PolarHBondContact O-N 3.07Å; G527-T529 PolarHBondContact O-N 2.72Å | ||
| 528 | R | 23.4 | Very low | 26.4 | Very low | 238 Ų | 238 | 127.1 Ų | 127.1 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | trans | -38.5 | 99.7 | 174.7 | -67.5 | 172.6 | 175 | 173.3 | -3 | 111.7 | N526 N530 | N526-R528 PolarHBondContact O-N 3.35Å; N526-R528 VanDerWaalsContact O-N 3.1Å; R528-N530 PolarHBondContact O-N 3.4Å | ||
| 529 | T | 28.5 | Very low | 26.8 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | trans | -78.9 | 110 | 164.9 | 46.6 | 0 | 0 | 0 | 0 | 107.5 | G527 D531 | G527-T529 PolarHBondContact O-N 2.72Å; T529-D531 PolarHBondContact O-N 2.85Å | ||
| 530 | N | 25.7 | Very low | 27 | Very low | 141 Ų | 141 | 119.1 Ų | 119.1 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | trans | -69.8 | 84.6 | 170.5 | -76.7 | -29.6 | 0 | 0 | 0 | 108.7 | R528 H532 | R528-N530 PolarHBondContact O-N 3.4Å; N530-H532 PolarHBondContact O-N 3.11Å | ||
| 531 | D | 30.2 | Very low | 27.3 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 65% | 0.652 | 66% | 0.661 | S | S | * | * | trans | -75 | 61.9 | 179.1 | -81.1 | -35 | 0 | 0 | 0 | 112.7 | T529 L533 | T529-D531 PolarHBondContact O-N 2.85Å; D531-L533 VanDerWaalsContact C-N 3.27Å; D531-L533 PolarHBondContact O-N 3.08Å | ||
| 532 | H | 26.4 | Very low | 27.7 | Very low | 169 Ų | 169 | 112.3 Ų | 112.3 | 78% | 0.782 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -0.1 | 176.3 | -88.8 | -65.1 | 0 | 0 | 0 | 114.7 | N530 | N530-H532 PolarHBondContact O-N 3.11Š|
| 533 | L | 30.7 | Very low | 28.4 | Very low | 124 Ų | 124 | 109.7 Ų | 109.7 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -0.1 | -178.4 | -97.3 | 117.9 | 0 | 0 | 0 | 115.7 | D531 Q535 V536 | D531-L533 VanDerWaalsContact C-N 3.27Å; D531-L533 PolarHBondContact O-N 3.08Å; L533-Q535 PolarHBondContact O-N 2.79Å; L533-V536 HydrophobicContact CD2-CG2 4.49Å |
| 534 | A | 31.5 | Very low | 29 | Very low | 79 Ų | 79 | 109.9 Ų | 109.9 | 65% | 0.653 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -9.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 535 | Q | 28.9 | Very low | 29.5 | Very low | 180 Ų | 180 | 103.6 Ų | 103.6 | 84% | 0.841 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 18.1 | -174.6 | -71.9 | -172.6 | -14.6 | 0 | 0 | 115.5 | L533 S537 | L533-Q535 PolarHBondContact O-N 2.79Å; Q535-S537 PolarHBondContact O-N 3.05Å |
| 536 | V | 26.8 | Very low | 30.2 | Very low | 64 Ų | 64 | 99.5 Ų | 99.5 | 39% | 0.388 | 56% | 0.556 | S | S | . | * | trans | -79.5 | 94.6 | 171.3 | -172.5 | 0 | 0 | 0 | 0 | 109 | L533 | L533-V536 HydrophobicContact CD2-CG2 4.49Š| ||
| 537 | S | 28.3 | Very low | 30.8 | Very low | 67 Ų | 67 | 92.8 Ų | 92.8 | 47% | 0.469 | 52% | 0.52 | S | S | . | . | trans | -61.4 | 141.7 | 175.5 | 44.7 | 0 | 0 | 0 | 0 | 112.1 | Q535 S539 | Q535-S537 PolarHBondContact O-N 3.05Å; S537-S539 PolarHBondContact O-N 2.91Å | ||
| 538 | H | 27.3 | Very low | 31.5 | Very low | 151 Ų | 151 | 92.3 Ų | 92.3 | 70% | 0.699 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -3.9 | -175.4 | -78.4 | -106.1 | 0 | 0 | 0 | 115 | S540 | H538-S540 VanDerWaalsContact C-N 3.32Å; H538-S540 PolarHBondContact O-N 3.17Å |
| 539 | S | 30.8 | Very low | 32.6 | Very low | 74 Ų | 74 | 85.9 Ų | 85.9 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 15.4 | -166.5 | 51.9 | 0 | 0 | 0 | 0 | 115.3 | G386 L387 S537 | G386-S539 WeakPolarHBondContact CA-O 3.4Å; G386-S539 PolarHBondContact N-O 2.96Å; L387-S539 PolarHBondContact N-O 3.29Å; S537-S539 PolarHBondContact O-N 2.91Å |
| 540 | S | 32.1 | Very low | 33.6 | Very low | 4 Ų | 4 | 83.4 Ų | 83.4 | 3% | 0.028 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -131.4 | 120.8 | -172.3 | -48.6 | 0 | 0 | 0 | 0 | 111.3 | G386 L387 Q390 H538 | G386-S540 WeakPolarHBondContact CA-OG 3.43Å; G386-S540 PolarHBondContact O-OG 3.11Å; G386-S540 VanDerWaalsContact O-OG 3.06Å; L387-S540 PolarHBondContact N-OG 3.2Å; L387-S540 VanDerWaalsContact N-OG 3.15Å; Q390-S540 PolarHBondContact OE1-OG 3.35Å; H538-S540 VanDerWaalsContact C-N 3.32Å; H538-S540 PolarHBondContact O-N 3.17Å |
| 541 | I | 27.8 | Very low | 35.2 | Very low | 58 Ų | 58 | 76.7 Ų | 76.7 | 30% | 0.297 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 92.8 | 124.4 | 179.9 | -47.7 | 169.9 | 0 | 0 | 0 | 112.2 | L387 D545 V546 | L387-I541 HydrophobicContact CD1-CB 4.45Å; L387-I541 HydrophobicContact CD1-CD1 4.45Å; L387-I541 HydrophobicContact CD1-CG1 3.43Å; L387-I541 VanDerWaalsContact CD1-CG1 3.43Å; L387-I541 HydrophobicContact CD2-CG1 4.47Å; I541-D545 HydrophobicContact CG2-CB 4.11Å; I541-V546 HydrophobicContact CB-CG2 4.46Å |
| 542 | S | 33.2 | Very low | 36.7 | Very low | 35 Ų | 35 | 71 Ų | 71 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | trans | -49 | 138.5 | 175.1 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | Q544 | S542-Q544 PolarHBondContact O-N 2.75Š| ||
| 543 | G | 37.4 | Very low | 38.5 | Very low | 61 Ų | 61 | 65.3 Ų | 65.3 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -16.2 | -153.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 544 | Q | 38.9 | Very low | 40.2 | Very low | 77 Ų | 77 | 60.9 Ų | 60.9 | 36% | 0.36 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -33 | -170.2 | -150 | 63 | 18 | 0 | 0 | 114.5 | S542 V546 L547 Y937 | S542-Q544 PolarHBondContact O-N 2.75Å; Q544-V546 PolarHBondContact O-N 3.03Å; Q544-L547 PolarHBondContact O-N 2.86Å; Q544-L547 VanDerWaalsContact O-N 3.1Å; Q544-Y937 PolarHBondContact NE2-OH 3.13Å; Q544-Y937 VanDerWaalsContact NE2-OH 3.08Å |
| 545 | D | 34.1 | Very low | 41.8 | Very low | 72 Ų | 72 | 57.1 Ų | 57.1 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.6 | -18.2 | 172.3 | -76.8 | -29.6 | 0 | 0 | 0 | 112.3 | I541 L547 N549 | I541-D545 HydrophobicContact CG2-CB 4.11Å; D545-L547 PolarHBondContact O-N 3.47Å; D545-N549 PolarHBondContact O-N 3.48Å |
| 546 | V | 38.4 | Very low | 43.2 | Very low | 37 Ų | 37 | 53.4 Ų | 53.4 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.9 | -35.2 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 111 | I541 Q544 K550 | I541-V546 HydrophobicContact CB-CG2 4.46Å; Q544-V546 PolarHBondContact O-N 3.03Å; V546-K550 HydrophobicContact CG1-CB 4.44Å; V546-K550 HydrophobicContact CG1-CD 3.84Å; V546-K550 HydrophobicContact CG1-CG 4.3Å; V546-K550 VanDerWaalsContact O-CA 3.27Å; V546-K550 WeakPolarHBondContact O-CA 3.33Å; V546-K550 WeakPolarHBondContact O-CB 3.41Å; V546-K550 VanDerWaalsContact O-CG 3.29Å; V546-K550 WeakPolarHBondContact O-CG 3.29Å; V546-K550 PolarHBondContact O-N 3.36Å |
| 547 | L | 40.2 | Very low | 44.6 | Very low | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -84.5 | -35 | -173 | -67.1 | 175.2 | 0 | 0 | 0 | 113.9 | Q544 D545 N549 G551 L554 L710 Y937 | Q544-L547 PolarHBondContact O-N 2.86Å; Q544-L547 VanDerWaalsContact O-N 3.1Å; D545-L547 PolarHBondContact O-N 3.47Å; L547-N549 VanDerWaalsContact C-N 3.34Å; L547-N549 PolarHBondContact O-N 3.48Å; L547-G551 WeakPolarHBondContact O-CA 3.2Å; L547-G551 PolarHBondContact O-N 2.88Å; L547-L554 HydrophobicContact CD2-CD1 3.19Å; L547-L710 HydrophobicContact CD2-CD2 4.47Å; L547-Y937 WeakPolarHBondContact CD1-OH 3.38Å |
| 548 | N | 41.9 | Very low | 46.1 | Very low | 55 Ų | 55 | 53.6 Ų | 53.6 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 178 | -76.4 | -19.2 | 0 | 0 | 0 | 111.4 | N611 W612 | N548-N611 WeakPolarHBondContact O-CA 3.19Å; N548-W612 PolarHBondContact O-N 3.34Å; N548-W612 VanDerWaalsContact O-N 3.11Å; N548-W612 PolarHBondContact OD1-O 2.94Å |
| 549 | N | 45.6 | Very low | 47.4 | Very low | 104 Ų | 104 | 47.6 Ų | 47.6 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -93.1 | -21.6 | -179.4 | -72.1 | -10.2 | 0 | 0 | 0 | 114 | D545 L547 N611 | D545-N549 PolarHBondContact O-N 3.48Å; L547-N549 VanDerWaalsContact C-N 3.34Å; L547-N549 PolarHBondContact O-N 3.48Å; N549-N611 PolarHBondContact OD1-OD1 3.45Å |
| 550 | K | 50.3 | Low | 48.8 | Very low | 56 Ų | 56 | 48.1 Ų | 48.1 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -115.9 | 5.3 | 177.8 | -45.4 | -172.4 | -166.7 | 165.1 | 0 | 114.3 | V546 G552 I553 L554 | V546-K550 HydrophobicContact CG1-CB 4.44Å; V546-K550 HydrophobicContact CG1-CD 3.84Å; V546-K550 HydrophobicContact CG1-CG 4.3Å; V546-K550 VanDerWaalsContact O-CA 3.27Å; V546-K550 WeakPolarHBondContact O-CA 3.33Å; V546-K550 WeakPolarHBondContact O-CB 3.41Å; V546-K550 VanDerWaalsContact O-CG 3.29Å; V546-K550 WeakPolarHBondContact O-CG 3.29Å; V546-K550 PolarHBondContact O-N 3.36Å; K550-G552 VanDerWaalsContact C-N 3.31Å; K550-G552 PolarHBondContact O-N 2.86Å; K550-I553 HydrophobicContact CB-CB 4.26Å; K550-I553 HydrophobicContact CB-CD1 3.99Å; K550-I553 HydrophobicContact CB-CG1 4.33Å; K550-I553 HydrophobicContact CG-CD1 4.17Å; K550-I553 WeakPolarHBondContact O-CA 3.46Å; K550-I553 VanDerWaalsContact O-CB 3.23Å; K550-I553 WeakPolarHBondContact O-CB 3.46Å; K550-I553 PolarHBondContact O-N 3.15Å; K550-L554 PolarHBondContact O-N 3.2Å; K550-L554 VanDerWaalsContact O-N 3.11Å |
| 551 | G | 59.2 | Low | 50.3 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.4 | -42.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L547 I553 L554 L555 L617 | L547-G551 WeakPolarHBondContact O-CA 3.2Å; L547-G551 PolarHBondContact O-N 2.88Å; G551-I553 PolarHBondContact O-N 2.85Å; G551-L554 WeakPolarHBondContact O-CB 3.49Å; G551-L554 PolarHBondContact O-N 2.95Å; G551-L555 PolarHBondContact O-N 3.16Å; G551-L617 WeakPolarHBondContact O-CD2 2.81Å |
| 552 | G | 61.2 | Low | 52.6 | Low | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.8 | -16.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | K550 W556 L607 | K550-G552 VanDerWaalsContact C-N 3.31Å; K550-G552 PolarHBondContact O-N 2.86Å; G552-W556 PolarHBondContact O-N 2.89Å; G552-L607 CarbonylContact C-O 3.57Å; G552-L607 WeakPolarHBondContact CA-O 3.32Å |
| 553 | I | 64.3 | Low | 54.9 | Low | 51 Ų | 51 | 48.7 Ų | 48.7 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.9 | -36 | 169.5 | -55.1 | 178.5 | 0 | 0 | 0 | 110.4 | K550 G551 W556 R557 | K550-I553 HydrophobicContact CB-CB 4.26Å; K550-I553 HydrophobicContact CB-CD1 3.99Å; K550-I553 HydrophobicContact CB-CG1 4.33Å; K550-I553 HydrophobicContact CG-CD1 4.17Å; K550-I553 WeakPolarHBondContact O-CA 3.46Å; K550-I553 VanDerWaalsContact O-CB 3.23Å; K550-I553 WeakPolarHBondContact O-CB 3.46Å; K550-I553 PolarHBondContact O-N 3.15Å; G551-I553 PolarHBondContact O-N 2.85Å; I553-W556 WeakPolarHBondContact O-CA 3.49Å; I553-W556 VanDerWaalsContact O-CB 3.29Å; I553-W556 WeakPolarHBondContact O-CB 3.5Å; I553-W556 PolarHBondContact O-N 3.43Å; I553-R557 PolarHBondContact O-N 3.46Å; I553-R557 VanDerWaalsContact O-N 3.1Å |
| 554 | L | 65.4 | Low | 57.3 | Low | 30 Ų | 30 | 46.1 Ų | 46.1 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 173.2 | -83.8 | 159.8 | 0 | 0 | 0 | 111.4 | L547 K550 G551 W556 R557 E558 F707 L710 | L547-L554 HydrophobicContact CD2-CD1 3.19Å; K550-L554 PolarHBondContact O-N 3.2Å; K550-L554 VanDerWaalsContact O-N 3.11Å; G551-L554 WeakPolarHBondContact O-CB 3.49Å; G551-L554 PolarHBondContact O-N 2.95Å; L554-W556 PolarHBondContact O-N 2.86Å; L554-W556 VanDerWaalsContact O-N 3.09Å; L554-R557 PolarHBondContact O-N 2.97Å; L554-E558 PolarHBondContact O-N 3.45Å; L554-F707 HydrophobicContact CD2-CD1 4.17Å; L554-F707 HydrophobicContact CD2-CE1 4.28Å; L554-L710 HydrophobicContact CD1-CD2 4.38Å |
| 555 | L | 66.5 | Low | 59.4 | Low | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.1 | -24.9 | 174.5 | -64.1 | 177.1 | 0 | 0 | 0 | 113.2 | G551 N564 L607 W612 L617 M620 L621 | G551-L555 PolarHBondContact O-N 3.16Å; L555-N564 WeakPolarHBondContact O-CB 3.38Å; L555-L607 HydrophobicContact CB-CD2 4.3Å; L555-L607 HydrophobicContact CD1-CD2 3.74Å; L555-W612 HydrophobicContact CD1-CE3 4.29Å; L555-W612 HydrophobicContact CD1-CH2 4.12Å; L555-W612 HydrophobicContact CD1-CZ3 4Å; L555-L617 HydrophobicContact CD1-CD2 3.95Å; L555-L617 HydrophobicContact CD2-CD2 4.47Å; L555-L617 HydrophobicContact CG-CD2 4.03Å; L555-M620 HydrophobicContact CD1-CB 3.67Å; L555-M620 HydrophobicContact CD1-CE 4.32Å; L555-M620 HydrophobicContact CD1-CG 3.85Å; L555-M620 HydrophobicContact CD2-CB 3.54Å; L555-M620 HydrophobicContact CG-CB 4.28Å; L555-L621 HydrophobicContact CD2-CD2 3.62Å; L555-L621 HydrophobicContact CD2-CG 4.1Å |
| 556 | W | 58 | Low | 62 | Low | 102 Ų | 102 | 48.1 Ų | 48.1 | 39% | 0.386 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -83.9 | -25.3 | 177.1 | -149.4 | 79 | 0 | 0 | 0 | 112.9 | G552 I553 L554 R565 A575 | G552-W556 PolarHBondContact O-N 2.89Å; I553-W556 WeakPolarHBondContact O-CA 3.49Å; I553-W556 VanDerWaalsContact O-CB 3.29Å; I553-W556 WeakPolarHBondContact O-CB 3.5Å; I553-W556 PolarHBondContact O-N 3.43Å; L554-W556 PolarHBondContact O-N 2.86Å; L554-W556 VanDerWaalsContact O-N 3.09Å; W556-R565 WeakPolarHBondContact O-CG 3.38Å; W556-A575 VanDerWaalsContact CD1-O 3.23Å; W556-A575 PolarHBondContact NE1-O 2.98Å |
| 557 | R | 55.4 | Low | 64.6 | Low | 127 Ų | 127 | 46.4 Ų | 46.4 | 48% | 0.479 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -95.3 | -12.8 | 179.6 | -73.9 | -171.3 | -178.8 | -178 | -0 | 114.5 | I553 L554 | I553-R557 PolarHBondContact O-N 3.46Å; I553-R557 VanDerWaalsContact O-N 3.1Å; L554-R557 PolarHBondContact O-N 2.97Å |
| 558 | E | 60.1 | Low | 67.2 | Low | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -50.5 | 152.5 | 176.6 | -90.2 | -162 | 124.9 | 0 | 0 | 113.8 | L554 N564 L621 I703 F707 | L554-E558 PolarHBondContact O-N 3.45Å; E558-N564 PolarHBondContact OE2-ND2 3.34Å; E558-L621 HydrophobicContact CG-CD2 3.91Å; E558-L621 WeakPolarHBondContact OE1-CD2 3.32Å; E558-I703 WeakPolarHBondContact OE1-CD1 3.34Å; E558-F707 HydrophobicContact CG-CE2 3.97Å; E558-F707 HydrophobicContact CG-CZ 4.25Å |
| 559 | P | 55.5 | Low | 69.8 | Low | 26 Ų | 26 | 42.8 Ų | 42.8 | 17% | 0.169 | 20% | 0.199 | C | C | . | . | trans | -52.8 | 143.9 | -178.6 | 19 | -31.1 | 0 | 0 | 0 | 111.6 | L561 A562 | P559-L561 HydrophobicContact CB-CD1 4.4Å; P559-L561 PolarHBondContact O-N 2.99Å; P559-A562 PolarHBondContact O-N 3.23Å; P559-A562 VanDerWaalsContact O-N 3.14Å | ||
| 560 | D | 59 | Low | 72 | Confident | 84 Ų | 84 | 38.1 Ų | 38.1 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -22.2 | -178.6 | -75.2 | 32.8 | 0 | 0 | 0 | 114 | A562 G563 R565 K626 | D560-A562 VanDerWaalsContact C-N 3.33Å; D560-A562 PolarHBondContact O-N 3Å; D560-G563 PolarHBondContact O-N 2.65Å; D560-G563 VanDerWaalsContact O-N 3.13Å; D560-R565 IonicContact OD1-CZ 2.84Å; D560-R565 IonicContact OD1-NH1 3.12Å; D560-R565 PolarHBondContact OD1-NH1 3Å; D560-R565 IonicContact OD1-NH2 2.83Å; D560-R565 PolarHBondContact OD1-NH2 3.28Å; D560-R565 IonicContact OD2-CZ 2.78Å; D560-R565 IonicContact OD2-NH2 3.32Å; D560-R565 PolarHBondContact OD2-NH2 2.95Å; D560-K626 WeakPolarHBondContact O-CE 3.14Å; D560-K626 PolarHBondContact O-NZ 2.93Å |
| 561 | L | 64.6 | Low | 73.9 | Confident | 92 Ų | 92 | 38.2 Ų | 38.2 | 48% | 0.482 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.1 | 179.4 | -81.2 | 90.8 | 0 | 0 | 0 | 113.5 | P559 G563 K626 | P559-L561 HydrophobicContact CB-CD1 4.4Å; P559-L561 PolarHBondContact O-N 2.99Å; L561-G563 VanDerWaalsContact C-N 3.3Å; L561-G563 PolarHBondContact O-N 3.48Å; L561-K626 WeakPolarHBondContact O-CB 3.43Å; L561-K626 WeakPolarHBondContact O-CD 3.27Å |
| 562 | A | 76.2 | Confident | 75.1 | Confident | 14 Ų | 14 | 41 Ų | 41 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -28.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P559 D560 N564 G624 N625 K626 | P559-A562 PolarHBondContact O-N 3.23Å; P559-A562 VanDerWaalsContact O-N 3.14Å; D560-A562 VanDerWaalsContact C-N 3.33Å; D560-A562 PolarHBondContact O-N 3Å; A562-N564 VanDerWaalsContact C-N 3.29Å; A562-N564 PolarHBondContact O-N 3.24Å; A562-G624 CarbonylContact O-C 3.58Å; A562-N625 PolarHBondContact O-N 3.08Å; A562-K626 PolarHBondContact O-N 3.33Å |
| 563 | G | 81.2 | Confident | 76.1 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | trans | 75.2 | 14.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D560 L561 R565 Y566 | D560-G563 PolarHBondContact O-N 2.65Å; D560-G563 VanDerWaalsContact O-N 3.13Å; L561-G563 VanDerWaalsContact C-N 3.3Å; L561-G563 PolarHBondContact O-N 3.48Å; G563-R565 PolarHBondContact O-N 3.31Å; G563-R565 VanDerWaalsContact O-N 3.12Å; G563-Y566 PolarHBondContact O-N 2.94Å; G563-Y566 VanDerWaalsContact O-N 3.16Å | ||
| 564 | N | 86.7 | Confident | 76.8 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.4 | -173.5 | -70.1 | -19.4 | 0 | 0 | 0 | 114.4 | L555 E558 A562 T585 G624 N625 | L555-N564 WeakPolarHBondContact O-CB 3.38Å; E558-N564 PolarHBondContact OE2-ND2 3.34Å; A562-N564 VanDerWaalsContact C-N 3.29Å; A562-N564 PolarHBondContact O-N 3.24Å; N564-T585 WeakPolarHBondContact CA-OG1 3.46Å; N564-T585 HydrophobicContact CB-CG2 3.96Å; N564-T585 PolarHBondContact O-OG1 3.18Å; N564-G624 WeakPolarHBondContact OD1-CA 3.49Å; N564-N625 PolarHBondContact OD1-N 2.9Å; N564-N625 VanDerWaalsContact OD1-N 3.13Å |
| 565 | R | 83.2 | Confident | 77.9 | Confident | 75 Ų | 75 | 41.8 Ų | 41.8 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -23.5 | 173.7 | -62.1 | -159.7 | -60 | -106.2 | 3.4 | 114 | W556 D560 G563 G573 D574 A575 | W556-R565 WeakPolarHBondContact O-CG 3.38Å; D560-R565 IonicContact OD1-CZ 2.84Å; D560-R565 IonicContact OD1-NH1 3.12Å; D560-R565 PolarHBondContact OD1-NH1 3Å; D560-R565 IonicContact OD1-NH2 2.83Å; D560-R565 PolarHBondContact OD1-NH2 3.28Å; D560-R565 IonicContact OD2-CZ 2.78Å; D560-R565 IonicContact OD2-NH2 3.32Å; D560-R565 PolarHBondContact OD2-NH2 2.95Å; G563-R565 PolarHBondContact O-N 3.31Å; G563-R565 VanDerWaalsContact O-N 3.12Å; R565-G573 CarbonylContact O-C 3.21Å; R565-D574 PolarHBondContact O-N 3.19Å; R565-D574 VanDerWaalsContact O-N 3.17Å; R565-A575 PolarHBondContact O-N 3.19Å |
| 566 | Y | 88.8 | Confident | 78.9 | Confident | 116 Ų | 116 | 47.5 Ų | 47.5 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -106.9 | 133.9 | -178.9 | -59.8 | -83.7 | 0 | 0 | 0 | 109.2 | G563 S568 S571 N625 | G563-Y566 PolarHBondContact O-N 2.94Å; G563-Y566 VanDerWaalsContact O-N 3.16Å; Y566-S568 PolarHBondContact O-N 2.86Å; Y566-S571 WeakPolarHBondContact CD1-O 3.21Å; Y566-N625 PolarHBondContact O-ND2 3.3Å |
| 567 | C | 93.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -54.6 | 133.1 | 179.8 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | D569 S571 V572 C587 C590 | C567-D569 PolarHBondContact O-N 3.05Å; C567-D569 VanDerWaalsContact O-N 3.17Å; C567-S571 VanDerWaalsContact O-CA 3.25Å; C567-S571 WeakPolarHBondContact O-CA 3.22Å; C567-S571 PolarHBondContact O-N 3.49Å; C567-V572 WeakPolarHBondContact CB-O 3.3Å; C567-V572 PolarHBondContact N-O 3.45Å; C567-C587 HydrophobicContact CB-CB 3.9Å; C567-C587 PolarHBondContact SG-N 3.28Å; C567-C590 VanDerWaalsContact SG-SG 3.65Å | ||
| 568 | S | 94.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -35.9 | 179.7 | 178.3 | 0 | 0 | 0 | 0 | 113.3 | Y566 T585 N625 N629 E633 K662 | Y566-S568 PolarHBondContact O-N 2.86Å; S568-T585 PolarHBondContact N-O 2.86Å; S568-N625 PolarHBondContact N-ND2 3.32Å; S568-N629 PolarHBondContact O-ND2 3.45Å; S568-N629 PolarHBondContact OG-OD1 3.28Å; S568-E633 VanDerWaalsContact O-OE1 3.07Å; S568-K662 PolarHBondContact O-NZ 3.4Å; S568-K662 PolarHBondContact OG-NZ 2.94Å |
| 569 | D | 95.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -50.5 | -175.4 | -51.8 | -46 | 0 | 0 | 0 | 114.8 | C567 L586 C590 H594 R645 L646 W658 I659 K662 W663 | C567-D569 PolarHBondContact O-N 3.05Å; C567-D569 VanDerWaalsContact O-N 3.17Å; D569-L586 WeakPolarHBondContact OD2-CD2 3.42Å; D569-C590 HydrophobicContact CB-CB 4.43Å; D569-H594 IonicContact OD2-CD2 2.65Å; D569-H594 IonicContact OD2-NE2 3.4Å; D569-H594 PolarHBondContact OD2-NE2 2.77Å; D569-R645 PolarHBondContact O-NH2 3.43Å; D569-L646 HydrophobicContact CB-CD1 4.18Å; D569-W658 HydrophobicContact CB-CE3 4.28Å; D569-W658 HydrophobicContact CB-CH2 4.43Å; D569-W658 HydrophobicContact CB-CZ3 3.66Å; D569-I659 HydrophobicContact CB-CD1 4.34Å; D569-I659 HydrophobicContact CB-CG1 4.21Å; D569-K662 IonicContact OD1-NZ 2.69Å; D569-K662 PolarHBondContact OD1-NZ 3.02Å; D569-W663 PolarHBondContact OD1-NE1 3.02Å |
| 570 | C | 93.1 | Very high | 85.9 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -0.3 | -174.3 | 70.4 | 0 | 0 | 0 | 0 | 114.1 | V572 L646 | C570-V572 HydrophobicContact CB-CG2 4.39Å; C570-V572 PolarHBondContact O-N 3.17Å; C570-L646 HydrophobicContact CB-CB 3.62Å |
| 571 | S | 89.2 | Confident | 87.6 | Confident | 58 Ų | 58 | 34.1 Ų | 34.1 | 41% | 0.406 | 17% | 0.173 | S | C | . | . | trans | 57.3 | 7.5 | -179.8 | -50.7 | 0 | 0 | 0 | 0 | 115.8 | Y566 C567 R645 | Y566-S571 WeakPolarHBondContact CD1-O 3.21Å; C567-S571 VanDerWaalsContact O-CA 3.25Å; C567-S571 WeakPolarHBondContact O-CA 3.22Å; C567-S571 PolarHBondContact O-N 3.49Å; S571-R645 PolarHBondContact OG-NH2 3.08Å | ||
| 572 | V | 85.5 | Confident | 89 | Confident | 57 Ų | 57 | 30.3 Ų | 30.3 | 35% | 0.345 | 15% | 0.153 | S | C | . | . | trans | -67.8 | 140.3 | 172.2 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | C567 C570 | C567-V572 WeakPolarHBondContact CB-O 3.3Å; C567-V572 PolarHBondContact N-O 3.45Å; C570-V572 HydrophobicContact CB-CG2 4.39Å; C570-V572 PolarHBondContact O-N 3.17Å | ||
| 573 | G | 82.3 | Confident | 89.8 | Confident | 31 Ų | 31 | 29.7 Ų | 29.7 | 32% | 0.32 | 15% | 0.148 | S | C | . | . | B | Isolated β-bridge | trans | -62.6 | 179.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R565 | R565-G573 CarbonylContact O-C 3.21Å |
| 574 | D | 78.7 | Confident | 90.4 | Very high | 69 Ų | 69 | 29.5 Ų | 29.5 | 37% | 0.369 | 15% | 0.146 | S | C | . | . | trans | 64.4 | 45 | 178 | -158.1 | 22.2 | 0 | 0 | 0 | 113.9 | R565 R576 | R565-D574 PolarHBondContact O-N 3.19Å; R565-D574 VanDerWaalsContact O-N 3.17Å; D574-R576 PolarHBondContact O-N 3.1Å; D574-R576 VanDerWaalsContact O-N 3.11Å; D574-R576 WeakPolarHBondContact OD1-CG 3.32Å; D574-R576 IonicContact OD1-CZ 3.22Å; D574-R576 IonicContact OD1-NE 2.82Å; D574-R576 PolarHBondContact OD1-NE 3.21Å; D574-R576 IonicContact OD1-NH2 2.76Å; D574-R576 PolarHBondContact OD1-NH2 2.86Å; D574-R576 IonicContact OD2-CZ 3.31Å; D574-R576 IonicContact OD2-NE 3.55Å; D574-R576 PolarHBondContact OD2-NE 3.46Å; D574-R576 IonicContact OD2-NH2 3.49Å; D574-R576 PolarHBondContact OD2-NH2 3.32Å | ||
| 575 | A | 87.9 | Confident | 90.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -68.5 | 104.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | W556 R565 L586 L607 | W556-A575 VanDerWaalsContact CD1-O 3.23Å; W556-A575 PolarHBondContact NE1-O 2.98Å; R565-A575 PolarHBondContact O-N 3.19Å; A575-L586 CarbonylContact C-O 3.59Å; A575-L586 VanDerWaalsContact CA-O 3.31Å; A575-L586 WeakPolarHBondContact CA-O 3.48Å; A575-L607 VanDerWaalsContact O-CD1 3.31Å; A575-L607 WeakPolarHBondContact O-CD1 3.12Å | ||
| 576 | R | 87.9 | Confident | 91.3 | Very high | 120 Ų | 120 | 25.6 Ų | 25.6 | 45% | 0.453 | 13% | 0.131 | S | C | . | . | trans | -107.4 | 1.8 | -178.3 | -62.5 | -170 | -170.3 | -151.5 | 1.1 | 114.5 | D574 L586 L607 | D574-R576 PolarHBondContact O-N 3.1Å; D574-R576 VanDerWaalsContact O-N 3.11Å; D574-R576 WeakPolarHBondContact OD1-CG 3.32Å; D574-R576 IonicContact OD1-CZ 3.22Å; D574-R576 IonicContact OD1-NE 2.82Å; D574-R576 PolarHBondContact OD1-NE 3.21Å; D574-R576 IonicContact OD1-NH2 2.76Å; D574-R576 PolarHBondContact OD1-NH2 2.86Å; D574-R576 IonicContact OD2-CZ 3.31Å; D574-R576 IonicContact OD2-NE 3.55Å; D574-R576 PolarHBondContact OD2-NE 3.46Å; D574-R576 IonicContact OD2-NH2 3.49Å; D574-R576 PolarHBondContact OD2-NH2 3.32Å; R576-L586 PolarHBondContact N-O 2.66Å; R576-L586 VanDerWaalsContact N-O 3.13Å; R576-L607 WeakPolarHBondContact O-CB 3.38Å; R576-L607 PolarHBondContact O-N 3.45Å | ||
| 577 | W | 93.1 | Very high | 91.5 | Very high | 50 Ų | 50 | 20.7 Ų | 20.7 | 19% | 0.189 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 163.3 | -179.8 | -62.4 | 84.1 | 0 | 0 | 0 | 109 | T585 L586 T588 A591 V604 R605 | W577-T585 CarbonylContact O-C 3.5Å; W577-T585 WeakPolarHBondContact O-CA 3.48Å; W577-T585 WeakPolarHBondContact O-CB 3.33Å; W577-L586 HydrophobicContact CB-CB 4.27Å; W577-L586 WeakPolarHBondContact CB-O 3.42Å; W577-L586 PolarHBondContact N-O 3.17Å; W577-L586 PolarHBondContact O-N 3.18Å; W577-T588 PolarHBondContact NE1-OG1 2.88Å; W577-A591 HydrophobicContact CB-CB 3.57Å; W577-A591 HydrophobicContact CD2-CB 4.04Å; W577-A591 HydrophobicContact CG-CB 3.55Å; W577-V604 HydrophobicContact CE3-CG1 3.76Å; W577-V604 HydrophobicContact CZ3-CG1 4.45Å; W577-R605 CarbonylContact C-O 3.51Å; W577-R605 WeakPolarHBondContact CA-O 3.49Å |
| 578 | A | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V584 V604 R605 L607 W612 M620 | A578-V584 CarbonylContact C-O 3.45Å; A578-V584 WeakPolarHBondContact CA-O 3.46Å; A578-V584 WeakPolarHBondContact CB-O 3.38Å; A578-V604 CarbonylContact O-C 3.47Å; A578-V604 VanDerWaalsContact O-CA 3.31Å; A578-V604 WeakPolarHBondContact O-CA 3.47Å; A578-R605 PolarHBondContact N-O 3.39Å; A578-R605 PolarHBondContact O-N 3.44Å; A578-L607 HydrophobicContact CB-CD2 3.95Å; A578-L607 HydrophobicContact CB-CG 4.45Å; A578-W612 HydrophobicContact CB-CH2 3.68Å; A578-W612 HydrophobicContact CB-CZ2 3.94Å; A578-M620 HydrophobicContact CB-CE 3.74Å; A578-M620 HydrophobicContact CB-SD 4.47Å |
| 579 | S | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 104.5 | 164.7 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | N581 L582 G583 V584 S602 K603 | S579-N581 PolarHBondContact O-N 2.84Å; S579-N581 PolarHBondContact OG-OD1 3.36Å; S579-N581 VanDerWaalsContact OG-OD1 3.08Å; S579-L582 PolarHBondContact O-N 3.01Å; S579-L582 VanDerWaalsContact O-N 3.12Å; S579-L582 WeakPolarHBondContact OG-CD1 3.43Å; S579-L582 WeakPolarHBondContact OG-CG 3.39Å; S579-G583 PolarHBondContact O-N 2.87Å; S579-V584 PolarHBondContact N-O 3.48Å; S579-V584 PolarHBondContact O-N 3.15Å; S579-S602 WeakPolarHBondContact CB-OG 2.89Å; S579-S602 PolarHBondContact OG-OG 3.21Å; S579-K603 WeakPolarHBondContact CA-O 3.5Å; S579-K603 PolarHBondContact OG-N 3.33Å |
| 580 | I | 93.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -36.4 | -168 | 60.2 | 176 | 0 | 0 | 0 | 113.1 | L582 G583 K603 R605 W612 L616 L839 | I580-L582 VanDerWaalsContact C-N 3.29Å; I580-L582 PolarHBondContact O-N 3.16Å; I580-G583 PolarHBondContact O-N 3.46Å; I580-K603 HydrophobicContact CD1-CB 4.16Å; I580-K603 HydrophobicContact CG1-CB 3.62Å; I580-K603 HydrophobicContact CG1-CD 4.49Å; I580-K603 PolarHBondContact N-O 3.06Å; I580-R605 HydrophobicContact CD1-CG 4.44Å; I580-R605 HydrophobicContact CG2-CB 4.21Å; I580-R605 HydrophobicContact CG2-CG 3.92Å; I580-W612 HydrophobicContact CG2-CH2 3.69Å; I580-W612 HydrophobicContact CG2-CZ3 3.91Å; I580-L616 HydrophobicContact CB-CD2 4.28Å; I580-L616 HydrophobicContact CD1-CD1 4.12Å; I580-L616 HydrophobicContact CD1-CD2 4Å; I580-L839 HydrophobicContact CD1-CD2 3.94Å; I580-L839 HydrophobicContact CG1-CD2 4.13Å |
| 581 | N | 94.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -19.8 | 177.9 | 67.1 | -58 | 0 | 0 | 0 | 113.6 | S579 I601 K603 F836 L839 N840 | S579-N581 PolarHBondContact O-N 2.84Å; S579-N581 PolarHBondContact OG-OD1 3.36Å; S579-N581 VanDerWaalsContact OG-OD1 3.08Å; N581-I601 PolarHBondContact ND2-O 3.27Å; N581-K603 HydrophobicContact CB-CD 4.09Å; N581-K603 HydrophobicContact CB-CG 4.34Å; N581-K603 WeakPolarHBondContact OD1-CB 3.39Å; N581-K603 PolarHBondContact OD1-N 3.2Å; N581-F836 WeakPolarHBondContact O-CE2 3.49Å; N581-L839 HydrophobicContact CB-CB 3.92Å; N581-N840 PolarHBondContact O-ND2 3.38Å; N581-N840 PolarHBondContact O-OD1 2.97Å |
| 582 | L | 94.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -12.8 | 179.4 | -59.2 | 178.3 | 0 | 0 | 0 | 111.6 | S579 I580 V584 W663 | S579-L582 PolarHBondContact O-N 3.01Å; S579-L582 VanDerWaalsContact O-N 3.12Å; S579-L582 WeakPolarHBondContact OG-CD1 3.43Å; S579-L582 WeakPolarHBondContact OG-CG 3.39Å; I580-L582 VanDerWaalsContact C-N 3.29Å; I580-L582 PolarHBondContact O-N 3.16Å; L582-V584 HydrophobicContact CB-CG2 3.91Å; L582-W663 HydrophobicContact CB-CE3 4.34Å; L582-W663 HydrophobicContact CB-CH2 4.06Å; L582-W663 HydrophobicContact CB-CZ3 3.7Å; L582-W663 HydrophobicContact CD1-CD2 3.85Å; L582-W663 HydrophobicContact CD1-CE3 3.53Å; L582-W663 HydrophobicContact CD1-CG 4.44Å; L582-W663 HydrophobicContact CD1-CH2 4.28Å; L582-W663 HydrophobicContact CD1-CZ3 3.74Å; L582-W663 HydrophobicContact CD2-CE3 3.79Å; L582-W663 HydrophobicContact CD2-CZ3 3.82Å; L582-W663 HydrophobicContact CG-CE3 4.07Å; L582-W663 HydrophobicContact CG-CZ3 3.93Å |
| 583 | G | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 35.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S579 I580 | S579-G583 PolarHBondContact O-N 2.87Å; I580-G583 PolarHBondContact O-N 3.46Å |
| 584 | V | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.9 | -175.1 | -67.4 | 0 | 0 | 0 | 0 | 113.6 | A578 S579 L582 L586 N625 V628 W663 | A578-V584 CarbonylContact C-O 3.45Å; A578-V584 WeakPolarHBondContact CA-O 3.46Å; A578-V584 WeakPolarHBondContact CB-O 3.38Å; S579-V584 PolarHBondContact N-O 3.48Å; S579-V584 PolarHBondContact O-N 3.15Å; L582-V584 HydrophobicContact CB-CG2 3.91Å; V584-L586 HydrophobicContact CG2-CD2 4.32Å; V584-N625 WeakPolarHBondContact CA-OD1 3.4Å; V584-N625 VanDerWaalsContact CB-OD1 3.23Å; V584-N625 WeakPolarHBondContact CB-OD1 3.29Å; V584-V628 HydrophobicContact CG1-CB 3.91Å; V584-V628 HydrophobicContact CG1-CG1 3.54Å; V584-V628 HydrophobicContact CG1-CG2 4.09Å; V584-W663 HydrophobicContact CB-CH2 4.43Å; V584-W663 HydrophobicContact CG1-CH2 3.78Å; V584-W663 HydrophobicContact CG1-CZ2 4.27Å; V584-W663 HydrophobicContact CG2-CH2 3.81Å; V584-W663 HydrophobicContact CG2-CZ2 3.92Å |
| 585 | T | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 147.4 | 171.1 | 69 | 0 | 0 | 0 | 0 | 112.1 | N564 S568 W577 L607 M620 N625 | N564-T585 WeakPolarHBondContact CA-OG1 3.46Å; N564-T585 HydrophobicContact CB-CG2 3.96Å; N564-T585 PolarHBondContact O-OG1 3.18Å; S568-T585 PolarHBondContact N-O 2.86Å; W577-T585 CarbonylContact O-C 3.5Å; W577-T585 WeakPolarHBondContact O-CA 3.48Å; W577-T585 WeakPolarHBondContact O-CB 3.33Å; T585-L607 HydrophobicContact CG2-CD1 4.09Å; T585-M620 HydrophobicContact CG2-CE 4.01Å; T585-N625 PolarHBondContact N-OD1 3.09Å; T585-N625 PolarHBondContact O-ND2 3.1Å; T585-N625 PolarHBondContact OG1-ND2 2.96Å |
| 586 | L | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.8 | -169.1 | -57.9 | 173.1 | 0 | 0 | 0 | 110.7 | D569 A575 R576 W577 V584 C590 A591 H594 | D569-L586 WeakPolarHBondContact OD2-CD2 3.42Å; A575-L586 CarbonylContact C-O 3.59Å; A575-L586 VanDerWaalsContact CA-O 3.31Å; A575-L586 WeakPolarHBondContact CA-O 3.48Å; R576-L586 PolarHBondContact N-O 2.66Å; R576-L586 VanDerWaalsContact N-O 3.13Å; W577-L586 HydrophobicContact CB-CB 4.27Å; W577-L586 WeakPolarHBondContact CB-O 3.42Å; W577-L586 PolarHBondContact N-O 3.17Å; W577-L586 PolarHBondContact O-N 3.18Å; V584-L586 HydrophobicContact CG2-CD2 4.32Å; L586-C590 HydrophobicContact CD2-CB 4.44Å; L586-A591 HydrophobicContact CB-CB 4.17Å; L586-H594 HydrophobicContact CD1-CB 4.1Å |
| 587 | C | 93.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 8% | 0.081 | 14% | 0.138 | C | C | . | . | trans | -73.8 | 164.5 | 164.9 | 75.1 | 0 | 0 | 0 | 0 | 110.3 | C567 L589 C590 A591 | C567-C587 HydrophobicContact CB-CB 3.9Å; C567-C587 PolarHBondContact SG-N 3.28Å; C587-L589 PolarHBondContact O-N 3.46Å; C587-C590 PolarHBondContact O-N 3.41Å; C587-A591 VanDerWaalsContact O-CB 3.28Å; C587-A591 WeakPolarHBondContact O-CB 3.37Å; C587-A591 PolarHBondContact O-N 3.24Å | ||
| 588 | T | 92.8 | Very high | 94.3 | Very high | 85 Ų | 85 | 24.3 Ų | 24.3 | 52% | 0.521 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -54.9 | -37.5 | -178.7 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | W577 A592 | W577-T588 PolarHBondContact NE1-OG1 2.88Å; T588-A592 PolarHBondContact O-N 3.43Å; T588-A592 VanDerWaalsContact O-N 3.12Å |
| 589 | L | 94.2 | Very high | 94.1 | Very high | 94 Ų | 94 | 29.7 Ų | 29.7 | 49% | 0.492 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -70.4 | -46.9 | -178.6 | -63.1 | 176.2 | 0 | 0 | 0 | 112.3 | C587 A592 V593 | C587-L589 PolarHBondContact O-N 3.46Å; L589-A592 WeakPolarHBondContact O-CB 3.22Å; L589-A592 PolarHBondContact O-N 2.97Å; L589-V593 PolarHBondContact O-N 3.17Å |
| 590 | C | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -37.5 | 177 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | C567 D569 L586 C587 A592 V593 H594 R655 I659 | C567-C590 VanDerWaalsContact SG-SG 3.65Å; D569-C590 HydrophobicContact CB-CB 4.43Å; L586-C590 HydrophobicContact CD2-CB 4.44Å; C587-C590 PolarHBondContact O-N 3.41Å; C590-A592 VanDerWaalsContact C-N 3.26Å; C590-A592 PolarHBondContact O-N 2.98Å; C590-V593 WeakPolarHBondContact O-CB 3.33Å; C590-V593 PolarHBondContact O-N 2.81Å; C590-V593 VanDerWaalsContact O-N 3.07Å; C590-H594 PolarHBondContact O-CD2 2.91Å; C590-H594 VanDerWaalsContact O-CD2 3.32Å; C590-H594 PolarHBondContact O-N 2.91Å; C590-R655 PolarHBondContact SG-NH1 3.45Å; C590-I659 HydrophobicContact CB-CD1 4Å |
| 591 | A | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.9 | -36.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W577 L586 C587 H594 R595 V604 | W577-A591 HydrophobicContact CB-CB 3.57Å; W577-A591 HydrophobicContact CD2-CB 4.04Å; W577-A591 HydrophobicContact CG-CB 3.55Å; L586-A591 HydrophobicContact CB-CB 4.17Å; C587-A591 VanDerWaalsContact O-CB 3.28Å; C587-A591 WeakPolarHBondContact O-CB 3.37Å; C587-A591 PolarHBondContact O-N 3.24Å; A591-H594 PolarHBondContact O-N 3.35Å; A591-R595 WeakPolarHBondContact O-CG 3.47Å; A591-R595 PolarHBondContact O-N 3.5Å; A591-V604 HydrophobicContact CB-CG1 4.22Å |
| 592 | A | 94.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 37.6 Ų | 37.6 | 41% | 0.405 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T588 L589 C590 R595 S596 | T588-A592 PolarHBondContact O-N 3.43Å; T588-A592 VanDerWaalsContact O-N 3.12Å; L589-A592 WeakPolarHBondContact O-CB 3.22Å; L589-A592 PolarHBondContact O-N 2.97Å; C590-A592 VanDerWaalsContact C-N 3.26Å; C590-A592 PolarHBondContact O-N 2.98Å; A592-R595 PolarHBondContact O-N 3.16Å; A592-S596 PolarHBondContact O-N 3.49Å |
| 593 | V | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -46.5 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | L589 C590 R595 S596 L597 F652 R655 K656 I659 | L589-V593 PolarHBondContact O-N 3.17Å; C590-V593 WeakPolarHBondContact O-CB 3.33Å; C590-V593 PolarHBondContact O-N 2.81Å; C590-V593 VanDerWaalsContact O-N 3.07Å; V593-R595 VanDerWaalsContact C-N 3.25Å; V593-R595 PolarHBondContact O-N 3.27Å; V593-S596 WeakPolarHBondContact O-CA 3.33Å; V593-S596 WeakPolarHBondContact O-CB 3.12Å; V593-S596 PolarHBondContact O-N 3.27Å; V593-S596 PolarHBondContact O-OG 3.37Å; V593-L597 PolarHBondContact O-N 3.23Å; V593-F652 HydrophobicContact CB-CE2 4.49Å; V593-F652 HydrophobicContact CG2-CD2 3.95Å; V593-F652 HydrophobicContact CG2-CE2 3.55Å; V593-F652 HydrophobicContact CG2-CZ 4.13Å; V593-R655 HydrophobicContact CG2-CB 4.48Å; V593-R655 HydrophobicContact CG2-CG 4.01Å; V593-K656 HydrophobicContact CG1-CB 3.99Å; V593-K656 HydrophobicContact CG1-CG 4.08Å; V593-I659 HydrophobicContact CB-CD1 3.76Å; V593-I659 HydrophobicContact CG1-CB 3.97Å; V593-I659 HydrophobicContact CG1-CD1 3.76Å; V593-I659 HydrophobicContact CG1-CG1 4.41Å; V593-I659 HydrophobicContact CG1-CG2 3.9Å; V593-I659 HydrophobicContact CG2-CD1 4.2Å |
| 594 | H | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -39.2 | 177.2 | -89.5 | -98.5 | 0 | 0 | 0 | 112.5 | D569 L586 C590 A591 S596 L597 S602 V604 W663 | D569-H594 IonicContact OD2-CD2 2.65Å; D569-H594 IonicContact OD2-NE2 3.4Å; D569-H594 PolarHBondContact OD2-NE2 2.77Å; L586-H594 HydrophobicContact CD1-CB 4.1Å; C590-H594 PolarHBondContact O-CD2 2.91Å; C590-H594 VanDerWaalsContact O-CD2 3.32Å; C590-H594 PolarHBondContact O-N 2.91Å; A591-H594 PolarHBondContact O-N 3.35Å; H594-S596 PolarHBondContact O-N 2.97Å; H594-L597 WeakPolarHBondContact O-CB 3.44Å; H594-L597 PolarHBondContact O-N 2.84Å; H594-S602 WeakPolarHBondContact CB-OG 3.35Å; H594-S602 WeakPolarHBondContact ND1-CB 3.4Å; H594-S602 PolarHBondContact ND1-OG 2.81Å; H594-V604 HydrophobicContact CB-CG2 3.66Å; H594-W663 AromaticContact CE1-CD1 3.56Å; H594-W663 AromaticContact CE1-CE2 3.85Å; H594-W663 AromaticContact CE1-CG 3.89Å; H594-W663 AromaticContact CE1-NE1 3.5Å; H594-W663 AromaticContact NE2-CD1 3.61Å; H594-W663 AromaticContact NE2-NE1 3.42Å; H594-W663 PolarHBondContact NE2-NE1 3.4Å |
| 595 | R | 95.6 | Very high | 93.8 | Very high | 139 Ų | 139 | 45.8 Ų | 45.8 | 53% | 0.525 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -33.9 | 172.5 | -73.9 | 174.7 | 178.3 | -92.3 | -1.2 | 112.9 | A591 A592 V593 L597 G598 V604 | A591-R595 WeakPolarHBondContact O-CG 3.47Å; A591-R595 PolarHBondContact O-N 3.5Å; A592-R595 PolarHBondContact O-N 3.16Å; V593-R595 VanDerWaalsContact C-N 3.25Å; V593-R595 PolarHBondContact O-N 3.27Å; R595-L597 VanDerWaalsContact C-N 3.32Å; R595-G598 PolarHBondContact O-N 3.19Å; R595-V604 HydrophobicContact CG-CB 3.98Å; R595-V604 HydrophobicContact CG-CG1 4.24Å; R595-V604 HydrophobicContact CG-CG2 3.96Å |
| 596 | S | 94.7 | Very high | 93.6 | Very high | 60 Ų | 60 | 46 Ų | 46 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74.7 | -17.4 | 179 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | A592 V593 H594 G598 | A592-S596 PolarHBondContact O-N 3.49Å; V593-S596 WeakPolarHBondContact O-CA 3.33Å; V593-S596 WeakPolarHBondContact O-CB 3.12Å; V593-S596 PolarHBondContact O-N 3.27Å; V593-S596 PolarHBondContact O-OG 3.37Å; H594-S596 PolarHBondContact O-N 2.97Å; S596-G598 VanDerWaalsContact C-N 3.27Å; S596-G598 PolarHBondContact O-N 3.37Å |
| 597 | L | 92.8 | Very high | 93 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -19.8 | 176 | -55.6 | 179.2 | 0 | 0 | 0 | 112.8 | V593 H594 R595 I601 I659 E660 V664 | V593-L597 PolarHBondContact O-N 3.23Å; H594-L597 WeakPolarHBondContact O-CB 3.44Å; H594-L597 PolarHBondContact O-N 2.84Å; R595-L597 VanDerWaalsContact C-N 3.32Å; L597-I601 HydrophobicContact CB-CB 4.08Å; L597-I601 HydrophobicContact CB-CG2 4.16Å; L597-I601 HydrophobicContact CD1-CG2 4Å; L597-I659 HydrophobicContact CD1-CG2 3.92Å; L597-E660 HydrophobicContact CD2-CG 3.69Å; L597-V664 HydrophobicContact CD1-CG2 4.31Å; L597-V664 HydrophobicContact CD2-CG2 4.2Å |
| 598 | G | 89.9 | Confident | 92.3 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | trans | 92.4 | 152.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R595 S596 H600 I601 S602 | R595-G598 PolarHBondContact O-N 3.19Å; S596-G598 VanDerWaalsContact C-N 3.27Å; S596-G598 PolarHBondContact O-N 3.37Å; G598-H600 PolarHBondContact O-N 3.19Å; G598-H600 VanDerWaalsContact O-N 3.13Å; G598-I601 PolarHBondContact O-N 3.37Å; G598-S602 PolarHBondContact O-N 3.14Å | ||
| 599 | V | 90.1 | Very high | 91.5 | Very high | 113 Ų | 113 | 51.5 Ų | 51.5 | 69% | 0.685 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.2 | -172.6 | -61.4 | 0 | 0 | 0 | 0 | 114.6 | I601 S602 K603 | V599-I601 VanDerWaalsContact C-N 3.33Å; V599-S602 WeakPolarHBondContact CA-O 3.2Å; V599-K603 VanDerWaalsContact O-CG 3.22Å; V599-K603 WeakPolarHBondContact O-CG 3.48Å |
| 600 | H | 86.6 | Confident | 90.9 | Very high | 146 Ų | 146 | 49.9 Ų | 49.9 | 68% | 0.676 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -19 | 176.1 | 60.5 | -80.8 | 0 | 0 | 0 | 112.4 | G598 | G598-H600 PolarHBondContact O-N 3.19Å; G598-H600 VanDerWaalsContact O-N 3.13Å |
| 601 | I | 91.7 | Very high | 89.9 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -49.3 | 173.3 | -56 | -57.3 | 0 | 0 | 0 | 110.3 | N581 L597 G598 V599 V664 | N581-I601 PolarHBondContact ND2-O 3.27Å; L597-I601 HydrophobicContact CB-CB 4.08Å; L597-I601 HydrophobicContact CB-CG2 4.16Å; L597-I601 HydrophobicContact CD1-CG2 4Å; G598-I601 PolarHBondContact O-N 3.37Å; V599-I601 VanDerWaalsContact C-N 3.33Å; I601-V664 HydrophobicContact CG2-CG2 3.97Å |
| 602 | S | 95.8 | Very high | 89 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | trans | -138.8 | 124.1 | -175.6 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | S579 H594 G598 V599 | S579-S602 WeakPolarHBondContact CB-OG 2.89Å; S579-S602 PolarHBondContact OG-OG 3.21Å; H594-S602 WeakPolarHBondContact CB-OG 3.35Å; H594-S602 WeakPolarHBondContact ND1-CB 3.4Å; H594-S602 PolarHBondContact ND1-OG 2.81Å; G598-S602 PolarHBondContact O-N 3.14Å; V599-S602 WeakPolarHBondContact CA-O 3.2Å | ||
| 603 | K | 95.9 | Very high | 88.2 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | trans | -101.5 | 89 | -179.8 | -63.3 | -179.5 | -173.6 | 164.6 | 0 | 109.6 | S579 I580 N581 V599 L839 | S579-K603 WeakPolarHBondContact CA-O 3.5Å; S579-K603 PolarHBondContact OG-N 3.33Å; I580-K603 HydrophobicContact CD1-CB 4.16Å; I580-K603 HydrophobicContact CG1-CB 3.62Å; I580-K603 HydrophobicContact CG1-CD 4.49Å; I580-K603 PolarHBondContact N-O 3.06Å; N581-K603 HydrophobicContact CB-CD 4.09Å; N581-K603 HydrophobicContact CB-CG 4.34Å; N581-K603 WeakPolarHBondContact OD1-CB 3.39Å; N581-K603 PolarHBondContact OD1-N 3.2Å; V599-K603 VanDerWaalsContact O-CG 3.22Å; V599-K603 WeakPolarHBondContact O-CG 3.48Å; K603-L839 HydrophobicContact CD-CD2 4.39Å; K603-L839 PolarHBondContact NZ-O 3.01Å | ||
| 604 | V | 95.4 | Very high | 87.2 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.6 | -174.3 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | W577 A578 A591 H594 R595 | W577-V604 HydrophobicContact CE3-CG1 3.76Å; W577-V604 HydrophobicContact CZ3-CG1 4.45Å; A578-V604 CarbonylContact O-C 3.47Å; A578-V604 VanDerWaalsContact O-CA 3.31Å; A578-V604 WeakPolarHBondContact O-CA 3.47Å; A591-V604 HydrophobicContact CB-CG1 4.22Å; H594-V604 HydrophobicContact CB-CG2 3.66Å; R595-V604 HydrophobicContact CG-CB 3.98Å; R595-V604 HydrophobicContact CG-CG1 4.24Å; R595-V604 HydrophobicContact CG-CG2 3.96Å |
| 605 | R | 91.6 | Very high | 86.4 | Confident | 113 Ų | 113 | 57.4 Ų | 57.4 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 148.8 | 173 | -69.4 | -67.7 | -179.2 | -93.9 | 5.1 | 111 | W577 A578 I580 D610 W612 | W577-R605 CarbonylContact C-O 3.51Å; W577-R605 WeakPolarHBondContact CA-O 3.49Å; A578-R605 PolarHBondContact N-O 3.39Å; A578-R605 PolarHBondContact O-N 3.44Å; I580-R605 HydrophobicContact CD1-CG 4.44Å; I580-R605 HydrophobicContact CG2-CB 4.21Å; I580-R605 HydrophobicContact CG2-CG 3.92Å; R605-D610 VanDerWaalsContact CA-OD2 3.25Å; R605-D610 WeakPolarHBondContact CA-OD2 3.33Å; R605-D610 VanDerWaalsContact CD-OD2 3.23Å; R605-D610 WeakPolarHBondContact CD-OD2 3.49Å; R605-W612 HydrophobicContact CB-CZ2 4.08Å |
| 606 | S | 89.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 137.7 | 169.3 | -177.3 | 0 | 0 | 0 | 0 | 110 | T608 L609 D610 W612 | S606-T608 VanDerWaalsContact C-N 3.28Å; S606-T608 PolarHBondContact OG-N 3.12Å; S606-L609 WeakPolarHBondContact OG-CB 3.44Å; S606-L609 WeakPolarHBondContact OG-CG 3.32Å; S606-L609 PolarHBondContact OG-N 3.07Å; S606-D610 PolarHBondContact N-OD2 2.91Å; S606-W612 PolarHBondContact O-NE1 3.13Å |
| 607 | L | 83.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.6 | 172.8 | -69.3 | 175.6 | 0 | 0 | 0 | 112.2 | G552 L555 A575 R576 A578 T585 W612 | G552-L607 CarbonylContact C-O 3.57Å; G552-L607 WeakPolarHBondContact CA-O 3.32Å; L555-L607 HydrophobicContact CB-CD2 4.3Å; L555-L607 HydrophobicContact CD1-CD2 3.74Å; A575-L607 VanDerWaalsContact O-CD1 3.31Å; A575-L607 WeakPolarHBondContact O-CD1 3.12Å; R576-L607 WeakPolarHBondContact O-CB 3.38Å; R576-L607 PolarHBondContact O-N 3.45Å; A578-L607 HydrophobicContact CB-CD2 3.95Å; A578-L607 HydrophobicContact CB-CG 4.45Å; T585-L607 HydrophobicContact CG2-CD1 4.09Å; L607-W612 HydrophobicContact CD2-CH2 4.15Å; L607-W612 HydrophobicContact CD2-CZ2 3.61Å |
| 608 | T | 77.6 | Confident | 84.7 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -16.3 | -172 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | S606 | S606-T608 VanDerWaalsContact C-N 3.28Å; S606-T608 PolarHBondContact OG-N 3.12Å |
| 609 | L | 75.7 | Confident | 84.6 | Confident | 135 Ų | 135 | 48 Ų | 48 | 71% | 0.707 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -19.3 | -175.4 | -57.2 | 174.4 | 0 | 0 | 0 | 113.7 | S606 | S606-L609 WeakPolarHBondContact OG-CB 3.44Å; S606-L609 WeakPolarHBondContact OG-CG 3.32Å; S606-L609 PolarHBondContact OG-N 3.07Å |
| 610 | D | 81.3 | Confident | 84.5 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -102.6 | 149.5 | 178.9 | -68.4 | -39.9 | 0 | 0 | 0 | 110.2 | R605 S606 | R605-D610 VanDerWaalsContact CA-OD2 3.25Å; R605-D610 WeakPolarHBondContact CA-OD2 3.33Å; R605-D610 VanDerWaalsContact CD-OD2 3.23Å; R605-D610 WeakPolarHBondContact CD-OD2 3.49Å; S606-D610 PolarHBondContact N-OD2 2.91Å |
| 611 | N | 75.4 | Confident | 84.2 | Confident | 113 Ų | 113 | 36.7 Ų | 36.7 | 60% | 0.604 | 19% | 0.186 | S | C | * | . | P | Polyproline II helix | trans | -74.9 | 133.4 | 172.5 | -70.5 | 9 | 0 | 0 | 0 | 110.3 | N548 N549 | N548-N611 WeakPolarHBondContact O-CA 3.19Å; N549-N611 PolarHBondContact OD1-OD1 3.45Å |
| 612 | W | 78.1 | Confident | 83.9 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -102.8 | 119.1 | -178.4 | -79.1 | 78.1 | 0 | 0 | 0 | 111.1 | N548 L555 A578 I580 R605 S606 L607 L616 L617 M620 | N548-W612 PolarHBondContact O-N 3.34Å; N548-W612 VanDerWaalsContact O-N 3.11Å; N548-W612 PolarHBondContact OD1-O 2.94Å; L555-W612 HydrophobicContact CD1-CE3 4.29Å; L555-W612 HydrophobicContact CD1-CH2 4.12Å; L555-W612 HydrophobicContact CD1-CZ3 4Å; A578-W612 HydrophobicContact CB-CH2 3.68Å; A578-W612 HydrophobicContact CB-CZ2 3.94Å; I580-W612 HydrophobicContact CG2-CH2 3.69Å; I580-W612 HydrophobicContact CG2-CZ3 3.91Å; R605-W612 HydrophobicContact CB-CZ2 4.08Å; S606-W612 PolarHBondContact O-NE1 3.13Å; L607-W612 HydrophobicContact CD2-CH2 4.15Å; L607-W612 HydrophobicContact CD2-CZ2 3.61Å; W612-L616 HydrophobicContact CE3-CB 4.03Å; W612-L616 HydrophobicContact CZ3-CB 4.15Å; W612-L617 HydrophobicContact CB-CD1 4.22Å; W612-L617 HydrophobicContact CB-CD2 3.96Å; W612-L617 HydrophobicContact CB-CG 4.03Å; W612-L617 HydrophobicContact CD2-CD2 4.08Å; W612-L617 HydrophobicContact CE3-CD2 3.73Å; W612-L617 HydrophobicContact CE3-CG 4.23Å; W612-L617 HydrophobicContact CG-CD2 4.18Å; W612-M620 HydrophobicContact CH2-CG 4.04Å; W612-M620 HydrophobicContact CH2-SD 4.43Å; W612-M620 HydrophobicContact CZ3-CG 3.58Å; W612-M620 HydrophobicContact CZ3-SD 4.45Å |
| 613 | Q | 77.2 | Confident | 83.5 | Confident | 64 Ų | 64 | 36 Ų | 36 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -75.7 | 142.5 | 174.1 | -46.7 | -177.5 | -45.9 | 0 | 0 | 109.3 | E615 L616 L617 R873 | Q613-E615 WeakPolarHBondContact CB-OE2 2.96Å; Q613-E615 PolarHBondContact O-N 2.79Å; Q613-E615 VanDerWaalsContact O-N 3.1Å; Q613-L616 HydrophobicContact CB-CD1 4.37Å; Q613-L616 HydrophobicContact CB-CG 4.37Å; Q613-L616 HydrophobicContact CG-CD1 4.36Å; Q613-L616 PolarHBondContact O-N 2.92Å; Q613-L617 PolarHBondContact O-N 2.67Å; Q613-L617 VanDerWaalsContact O-N 3.14Å; Q613-R873 VanDerWaalsContact OE1-NH1 3.09Å; Q613-R873 VanDerWaalsContact OE1-NH2 3.15Å |
| 614 | P | 74.8 | Confident | 83 | Confident | 27 Ų | 27 | 33 Ų | 33 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.1 | -32.8 | -179 | -28.2 | 35.3 | 0 | 0 | 0 | 114.2 | L617 H618 T932 Y936 | P614-L617 PolarHBondContact O-N 2.76Å; P614-H618 PolarHBondContact O-N 2.91Å; P614-H618 PolarHBondContact O-ND1 2.84Å; P614-T932 HydrophobicContact CG-CG2 4.26Å; P614-Y936 HydrophobicContact CB-CD1 3.57Å; P614-Y936 HydrophobicContact CB-CE1 3.93Å; P614-Y936 HydrophobicContact CB-CG 4.09Å |
| 615 | E | 81.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | -179.5 | -48.4 | 99.2 | 141.8 | 0 | 0 | 111.4 | Q613 H618 V619 E835 L869 R872 Y936 | Q613-E615 WeakPolarHBondContact CB-OE2 2.96Å; Q613-E615 PolarHBondContact O-N 2.79Å; Q613-E615 VanDerWaalsContact O-N 3.1Å; E615-H618 PolarHBondContact O-N 2.83Å; E615-V619 PolarHBondContact O-N 2.79Å; E615-E835 HydrophobicContact CB-CG 4.16Å; E615-L869 HydrophobicContact CB-CD1 4.07Å; E615-L869 HydrophobicContact CG-CD1 3.82Å; E615-R872 IonicContact OE1-CZ 3.78Å; E615-R872 IonicContact OE1-NE 2.62Å; E615-R872 PolarHBondContact OE1-NE 3.39Å; E615-R872 IonicContact OE1-NH2 2.8Å; E615-R872 PolarHBondContact OE1-NH2 3.33Å; E615-R872 IonicContact OE2-NH2 3.82Å; E615-Y936 HydrophobicContact CB-CE1 4.2Å; E615-Y936 HydrophobicContact CG-CE1 3.74Å; E615-Y936 HydrophobicContact CG-CE2 4.04Å; E615-Y936 WeakPolarHBondContact CG-OH 3.42Å |
| 616 | L | 85.6 | Confident | 82.7 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.6 | -38.5 | 176.3 | -63.8 | 178.9 | 0 | 0 | 0 | 111.3 | I580 W612 Q613 H618 V619 M620 E835 L839 | I580-L616 HydrophobicContact CB-CD2 4.28Å; I580-L616 HydrophobicContact CD1-CD1 4.12Å; I580-L616 HydrophobicContact CD1-CD2 4Å; W612-L616 HydrophobicContact CE3-CB 4.03Å; W612-L616 HydrophobicContact CZ3-CB 4.15Å; Q613-L616 HydrophobicContact CB-CD1 4.37Å; Q613-L616 HydrophobicContact CB-CG 4.37Å; Q613-L616 HydrophobicContact CG-CD1 4.36Å; Q613-L616 PolarHBondContact O-N 2.92Å; L616-H618 VanDerWaalsContact C-N 3.34Å; L616-V619 PolarHBondContact O-N 2.92Å; L616-M620 VanDerWaalsContact O-CG 3.28Å; L616-M620 WeakPolarHBondContact O-CG 3.39Å; L616-M620 PolarHBondContact O-N 3.25Å; L616-E835 HydrophobicContact CD2-CG 4.27Å; L616-E835 WeakPolarHBondContact CD2-OE1 3.49Å; L616-L839 HydrophobicContact CD2-CD1 3.8Å; L616-L839 HydrophobicContact CD2-CD2 4.14Å; L616-L839 HydrophobicContact CD2-CG 4.45Å |
| 617 | L | 81.3 | Confident | 82.7 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 173.8 | -67.8 | 170.8 | 0 | 0 | 0 | 110.3 | G551 L555 W612 Q613 P614 V619 M620 L621 | G551-L617 WeakPolarHBondContact O-CD2 2.81Å; L555-L617 HydrophobicContact CD1-CD2 3.95Å; L555-L617 HydrophobicContact CD2-CD2 4.47Å; L555-L617 HydrophobicContact CG-CD2 4.03Å; W612-L617 HydrophobicContact CB-CD1 4.22Å; W612-L617 HydrophobicContact CB-CD2 3.96Å; W612-L617 HydrophobicContact CB-CG 4.03Å; W612-L617 HydrophobicContact CD2-CD2 4.08Å; W612-L617 HydrophobicContact CE3-CD2 3.73Å; W612-L617 HydrophobicContact CE3-CG 4.23Å; W612-L617 HydrophobicContact CG-CD2 4.18Å; Q613-L617 PolarHBondContact O-N 2.67Å; Q613-L617 VanDerWaalsContact O-N 3.14Å; P614-L617 PolarHBondContact O-N 2.76Å; L617-V619 VanDerWaalsContact C-N 3.3Å; L617-V619 PolarHBondContact O-N 2.88Å; L617-M620 CarbonylContact O-C 3.5Å; L617-M620 PolarHBondContact O-N 3.35Å; L617-L621 WeakPolarHBondContact O-CG 2.81Å; L617-L621 PolarHBondContact O-N 2.78Å |
| 618 | H | 80.5 | Confident | 83.2 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 9% | 0.088 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.5 | -42.5 | 176.9 | -83.8 | 72.9 | 0 | 0 | 0 | 113 | P614 E615 L616 N622 I831 A832 Y936 | P614-H618 PolarHBondContact O-N 2.91Å; P614-H618 PolarHBondContact O-ND1 2.84Å; E615-H618 PolarHBondContact O-N 2.83Å; L616-H618 VanDerWaalsContact C-N 3.34Å; H618-N622 VanDerWaalsContact O-CB 3.32Å; H618-N622 WeakPolarHBondContact O-CB 3.07Å; H618-N622 PolarHBondContact O-N 3.15Å; H618-N622 PolarHBondContact O-ND2 2.96Å; H618-I831 HydrophobicContact CB-CG2 3.89Å; H618-A832 HydrophobicContact CB-CB 4.32Å; H618-Y936 AromaticContact CE1-CD1 3.49Å; H618-Y936 VanDerWaalsContact CE1-CD1 3.49Å; H618-Y936 WeakPolarHBondContact CE1-CD1 3.47Å; H618-Y936 AromaticContact ND1-CD1 3.5Å; H618-Y936 WeakPolarHBondContact ND1-CD1 3.48Å; H618-Y936 AromaticContact ND1-CE1 3.69Å |
| 619 | V | 87.3 | Confident | 84 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | E615 L616 L617 N622 L623 E835 F836 L839 | E615-V619 PolarHBondContact O-N 2.79Å; L616-V619 PolarHBondContact O-N 2.92Å; L617-V619 VanDerWaalsContact C-N 3.3Å; L617-V619 PolarHBondContact O-N 2.88Å; V619-N622 PolarHBondContact O-N 2.88Å; V619-L623 HydrophobicContact CG1-CD1 3.74Å; V619-L623 VanDerWaalsContact O-CB 3.32Å; V619-L623 WeakPolarHBondContact O-CB 3.5Å; V619-L623 WeakPolarHBondContact O-CG 3.49Å; V619-L623 PolarHBondContact O-N 2.75Å; V619-E835 HydrophobicContact CG2-CB 3.68Å; V619-E835 HydrophobicContact CG2-CG 3.54Å; V619-F836 HydrophobicContact CG1-CB 4.27Å; V619-F836 HydrophobicContact CG1-CD2 3.71Å; V619-F836 HydrophobicContact CG1-CG 4.42Å; V619-F836 HydrophobicContact CG2-CB 4.17Å; V619-L839 HydrophobicContact CG1-CD1 4.35Å; V619-L839 HydrophobicContact CG2-CD1 4.38Å |
| 620 | M | 87.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.8 | -35.1 | -178.2 | -65.8 | -61.8 | -61.2 | 0 | 0 | 113.4 | L555 A578 T585 W612 L616 L617 L623 | L555-M620 HydrophobicContact CD1-CB 3.67Å; L555-M620 HydrophobicContact CD1-CE 4.32Å; L555-M620 HydrophobicContact CD1-CG 3.85Å; L555-M620 HydrophobicContact CD2-CB 3.54Å; L555-M620 HydrophobicContact CG-CB 4.28Å; A578-M620 HydrophobicContact CB-CE 3.74Å; A578-M620 HydrophobicContact CB-SD 4.47Å; T585-M620 HydrophobicContact CG2-CE 4.01Å; W612-M620 HydrophobicContact CH2-CG 4.04Å; W612-M620 HydrophobicContact CH2-SD 4.43Å; W612-M620 HydrophobicContact CZ3-CG 3.58Å; W612-M620 HydrophobicContact CZ3-SD 4.45Å; L616-M620 VanDerWaalsContact O-CG 3.28Å; L616-M620 WeakPolarHBondContact O-CG 3.39Å; L616-M620 PolarHBondContact O-N 3.25Å; L617-M620 CarbonylContact O-C 3.5Å; L617-M620 PolarHBondContact O-N 3.35Å; M620-L623 CarbonylContact O-C 3.56Å; M620-L623 VanDerWaalsContact O-C 3.29Å |
| 621 | L | 81.3 | Confident | 85.3 | Confident | 20 Ų | 20 | 27.5 Ų | 27.5 | 11% | 0.105 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.3 | -34.2 | 177.1 | -61.2 | 170.4 | 0 | 0 | 0 | 111.7 | L555 E558 L617 L623 I703 L710 | L555-L621 HydrophobicContact CD2-CD2 3.62Å; L555-L621 HydrophobicContact CD2-CG 4.1Å; E558-L621 HydrophobicContact CG-CD2 3.91Å; E558-L621 WeakPolarHBondContact OE1-CD2 3.32Å; L617-L621 WeakPolarHBondContact O-CG 2.81Å; L617-L621 PolarHBondContact O-N 2.78Å; L621-L623 VanDerWaalsContact C-N 3.25Å; L621-I703 HydrophobicContact CB-CD1 4.4Å; L621-I703 VanDerWaalsContact O-CD1 3.3Å; L621-I703 WeakPolarHBondContact O-CD1 2.92Å; L621-L710 HydrophobicContact CD1-CD1 4.11Å |
| 622 | N | 86.2 | Confident | 86.2 | Confident | 17 Ų | 17 | 22.1 Ų | 22.1 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -76.7 | -17.9 | 175.5 | -84.4 | -96.2 | 0 | 0 | 0 | 112.8 | H618 V619 W696 P792 A832 | H618-N622 VanDerWaalsContact O-CB 3.32Å; H618-N622 WeakPolarHBondContact O-CB 3.07Å; H618-N622 PolarHBondContact O-N 3.15Å; H618-N622 PolarHBondContact O-ND2 2.96Å; V619-N622 PolarHBondContact O-N 2.88Å; N622-W696 PolarHBondContact O-NE1 3.02Å; N622-W696 VanDerWaalsContact OD1-CZ2 3.31Å; N622-W696 WeakPolarHBondContact OD1-CZ2 3.46Å; N622-W696 PolarHBondContact OD1-NE1 3.32Å; N622-P792 HydrophobicContact CB-CB 4.47Å; N622-P792 HydrophobicContact CB-CG 3.8Å; N622-A832 HydrophobicContact CB-CB 3.98Å; N622-A832 WeakPolarHBondContact ND2-CB 3.2Å |
| 623 | L | 87.5 | Confident | 87 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -108.8 | -173.8 | 173.3 | -63.4 | 171.1 | 0 | 0 | 0 | 108.4 | V619 M620 L621 V628 P792 L793 L796 F836 | V619-L623 HydrophobicContact CG1-CD1 3.74Å; V619-L623 VanDerWaalsContact O-CB 3.32Å; V619-L623 WeakPolarHBondContact O-CB 3.5Å; V619-L623 WeakPolarHBondContact O-CG 3.49Å; V619-L623 PolarHBondContact O-N 2.75Å; M620-L623 CarbonylContact O-C 3.56Å; M620-L623 VanDerWaalsContact O-C 3.29Å; L621-L623 VanDerWaalsContact C-N 3.25Å; L623-V628 HydrophobicContact CB-CG2 4.24Å; L623-V628 HydrophobicContact CD2-CG2 4.31Å; L623-P792 HydrophobicContact CD1-CB 4.42Å; L623-P792 HydrophobicContact CD2-CB 3.87Å; L623-P792 HydrophobicContact CG-CB 4.09Å; L623-L793 HydrophobicContact CD2-CD2 3.62Å; L623-L793 HydrophobicContact CD2-CG 3.92Å; L623-L796 HydrophobicContact CD2-CD2 4.49Å; L623-F836 HydrophobicContact CD1-CD2 3.6Å; L623-F836 HydrophobicContact CD1-CE2 3.38Å; L623-F836 HydrophobicContact CD1-CG 4.35Å; L623-F836 HydrophobicContact CD1-CZ 3.99Å |
| 624 | G | 84.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | 165.8 | 149.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A562 N564 K626 P627 V628 | A562-G624 CarbonylContact O-C 3.58Å; N564-G624 WeakPolarHBondContact OD1-CA 3.49Å; G624-K626 VanDerWaalsContact C-N 3.27Å; G624-K626 PolarHBondContact O-N 3.46Å; G624-P627 VanDerWaalsContact O-CD 3.3Å; G624-P627 WeakPolarHBondContact O-CD 3Å; G624-V628 WeakPolarHBondContact O-CB 3.47Å; G624-V628 WeakPolarHBondContact O-CG2 3.14Å; G624-V628 PolarHBondContact O-N 2.77Å | ||
| 625 | N | 91.6 | Very high | 88.4 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.8 | -40 | -172 | -69.8 | -0.1 | 0 | 0 | 0 | 113 | A562 N564 Y566 S568 V584 T585 N629 | A562-N625 PolarHBondContact O-N 3.08Å; N564-N625 PolarHBondContact OD1-N 2.9Å; N564-N625 VanDerWaalsContact OD1-N 3.13Å; Y566-N625 PolarHBondContact O-ND2 3.3Å; S568-N625 PolarHBondContact N-ND2 3.32Å; V584-N625 WeakPolarHBondContact CA-OD1 3.4Å; V584-N625 VanDerWaalsContact CB-OD1 3.23Å; V584-N625 WeakPolarHBondContact CB-OD1 3.29Å; T585-N625 PolarHBondContact N-OD1 3.09Å; T585-N625 PolarHBondContact O-ND2 3.1Å; T585-N625 PolarHBondContact OG1-ND2 2.96Å; N625-N629 WeakPolarHBondContact O-CB 3.48Å; N625-N629 PolarHBondContact O-N 3.5Å; N625-N629 PolarHBondContact O-ND2 3.4Å |
| 626 | K | 89.3 | Confident | 88.8 | Confident | 94 Ų | 94 | 24 Ų | 24 | 41% | 0.409 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -65.3 | -58.5 | 178.3 | -86.5 | 171.7 | 177.3 | 179.9 | 0 | 111.4 | D560 L561 A562 G624 V628 N629 R630 | D560-K626 WeakPolarHBondContact O-CE 3.14Å; D560-K626 PolarHBondContact O-NZ 2.93Å; L561-K626 WeakPolarHBondContact O-CB 3.43Å; L561-K626 WeakPolarHBondContact O-CD 3.27Å; A562-K626 PolarHBondContact O-N 3.33Å; G624-K626 VanDerWaalsContact C-N 3.27Å; G624-K626 PolarHBondContact O-N 3.46Å; K626-V628 VanDerWaalsContact C-N 3.33Å; K626-V628 PolarHBondContact O-N 3.1Å; K626-N629 PolarHBondContact O-N 3.38Å; K626-R630 WeakPolarHBondContact O-CG 3.09Å; K626-R630 PolarHBondContact O-N 3.32Å; K626-R630 VanDerWaalsContact O-N 3.07Å |
| 627 | P | 89.4 | Confident | 89.1 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 15% | 0.149 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.9 | -43.5 | 175.5 | -26.2 | 32.3 | 0 | 0 | 0 | 113.9 | G624 R630 L793 | G624-P627 VanDerWaalsContact O-CD 3.3Å; G624-P627 WeakPolarHBondContact O-CD 3Å; P627-R630 WeakPolarHBondContact O-CB 3.29Å; P627-R630 PolarHBondContact O-N 3.36Å; P627-L793 HydrophobicContact CB-CD1 3.71Å; P627-L793 HydrophobicContact CB-CD2 3.76Å; P627-L793 HydrophobicContact CB-CG 4.42Å |
| 628 | V | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 179.4 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | V584 L623 G624 K626 R630 I631 L632 W663 L793 L796 | V584-V628 HydrophobicContact CG1-CB 3.91Å; V584-V628 HydrophobicContact CG1-CG1 3.54Å; V584-V628 HydrophobicContact CG1-CG2 4.09Å; L623-V628 HydrophobicContact CB-CG2 4.24Å; L623-V628 HydrophobicContact CD2-CG2 4.31Å; G624-V628 WeakPolarHBondContact O-CB 3.47Å; G624-V628 WeakPolarHBondContact O-CG2 3.14Å; G624-V628 PolarHBondContact O-N 2.77Å; K626-V628 VanDerWaalsContact C-N 3.33Å; K626-V628 PolarHBondContact O-N 3.1Å; V628-R630 VanDerWaalsContact C-N 3.3Å; V628-R630 PolarHBondContact O-N 3Å; V628-I631 WeakPolarHBondContact O-CB 3.46Å; V628-I631 PolarHBondContact O-N 3.18Å; V628-L632 HydrophobicContact CG1-CD1 3.74Å; V628-L632 HydrophobicContact CG1-CG 4.49Å; V628-L632 PolarHBondContact O-N 2.87Å; V628-W663 HydrophobicContact CG1-CH2 3.95Å; V628-L793 HydrophobicContact CG2-CD2 4.33Å; V628-L796 HydrophobicContact CB-CD2 4.25Å; V628-L796 HydrophobicContact CG1-CD2 3.97Å; V628-L796 HydrophobicContact CG2-CD2 3.77Å |
| 629 | N | 94.1 | Very high | 90 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.5 | -26.5 | 178 | -73.9 | -5.1 | 0 | 0 | 0 | 112.7 | S568 N625 K626 I631 L632 E633 K662 | S568-N629 PolarHBondContact O-ND2 3.45Å; S568-N629 PolarHBondContact OG-OD1 3.28Å; N625-N629 WeakPolarHBondContact O-CB 3.48Å; N625-N629 PolarHBondContact O-N 3.5Å; N625-N629 PolarHBondContact O-ND2 3.4Å; K626-N629 PolarHBondContact O-N 3.38Å; N629-I631 PolarHBondContact O-N 2.79Å; N629-L632 PolarHBondContact O-N 3.2Å; N629-E633 HydrophobicContact CB-CB 4.44Å; N629-E633 HydrophobicContact CB-CG 4.12Å; N629-E633 PolarHBondContact ND2-OE1 3.04Å; N629-E633 WeakPolarHBondContact O-CA 3.37Å; N629-E633 WeakPolarHBondContact O-CB 3.47Å; N629-E633 PolarHBondContact O-N 3.17Å; N629-E633 PolarHBondContact OD1-OE1 3.29Å; N629-K662 PolarHBondContact OD1-NZ 3.05Å |
| 630 | R | 91.5 | Very high | 90.2 | Very high | 136 Ų | 136 | 40 Ų | 40 | 51% | 0.513 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.2 | -25.7 | 170.5 | -70 | 176.4 | -172.5 | 169.2 | 1.6 | 112.6 | K626 P627 V628 S634 N695 | K626-R630 WeakPolarHBondContact O-CG 3.09Å; K626-R630 PolarHBondContact O-N 3.32Å; K626-R630 VanDerWaalsContact O-N 3.07Å; P627-R630 WeakPolarHBondContact O-CB 3.29Å; P627-R630 PolarHBondContact O-N 3.36Å; V628-R630 VanDerWaalsContact C-N 3.3Å; V628-R630 PolarHBondContact O-N 3Å; R630-S634 WeakPolarHBondContact O-CB 3.49Å; R630-N695 PolarHBondContact NH1-ND2 2.85Å |
| 631 | I | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -87.7 | -53.1 | 174.1 | -59.2 | 167 | 0 | 0 | 0 | 109.9 | V628 N629 A669 R670 W688 L692 L793 L796 | V628-I631 WeakPolarHBondContact O-CB 3.46Å; V628-I631 PolarHBondContact O-N 3.18Å; N629-I631 PolarHBondContact O-N 2.79Å; I631-A669 CarbonylContact O-C 3.49Å; I631-A669 WeakPolarHBondContact O-CA 3.21Å; I631-R670 PolarHBondContact O-N 3.27Å; I631-W688 HydrophobicContact CG1-CH2 4.13Å; I631-W688 HydrophobicContact CG1-CZ2 3.93Å; I631-L692 HydrophobicContact CD1-CD1 4.22Å; I631-L692 HydrophobicContact CD1-CD2 4.08Å; I631-L692 HydrophobicContact CG1-CD1 4.31Å; I631-L692 HydrophobicContact CG1-CD2 4.37Å; I631-L793 HydrophobicContact CD1-CB 4.5Å; I631-L793 HydrophobicContact CD1-CD2 3.98Å; I631-L796 HydrophobicContact CD1-CD2 4.03Å; I631-L796 HydrophobicContact CD1-CG 4.3Å |
| 632 | L | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -84.6 | -20.5 | -168 | -79.6 | 174.8 | 0 | 0 | 0 | 115.3 | V628 N629 K662 W663 F666 F668 A669 T800 | V628-L632 HydrophobicContact CG1-CD1 3.74Å; V628-L632 HydrophobicContact CG1-CG 4.49Å; V628-L632 PolarHBondContact O-N 2.87Å; N629-L632 PolarHBondContact O-N 3.2Å; L632-K662 HydrophobicContact CB-CG 4.45Å; L632-W663 HydrophobicContact CD1-CD2 4.36Å; L632-W663 HydrophobicContact CD1-CE3 3.59Å; L632-W663 HydrophobicContact CD1-CH2 3.34Å; L632-W663 HydrophobicContact CD1-CZ2 4.13Å; L632-W663 HydrophobicContact CD1-CZ3 3.03Å; L632-F666 HydrophobicContact CD2-CD1 3.74Å; L632-F666 HydrophobicContact CD2-CE1 4.23Å; L632-F668 CarbonylContact O-C 3.42Å; L632-F668 WeakPolarHBondContact O-CB 3.25Å; L632-A669 HydrophobicContact CD2-CB 3.98Å; L632-A669 PolarHBondContact O-N 3.49Å; L632-T800 HydrophobicContact CD2-CG2 3.5Å; L632-T800 VanDerWaalsContact CD2-CG2 3.5Å; L632-T800 HydrophobicContact CG-CG2 4.3Å |
| 633 | E | 94.1 | Very high | 91.3 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -113.4 | 10.9 | 179.7 | -57.1 | -176.6 | -179.7 | 0 | 0 | 112.2 | S568 N629 N635 W636 R645 W658 K662 | S568-E633 VanDerWaalsContact O-OE1 3.07Å; N629-E633 HydrophobicContact CB-CB 4.44Å; N629-E633 HydrophobicContact CB-CG 4.12Å; N629-E633 PolarHBondContact ND2-OE1 3.04Å; N629-E633 WeakPolarHBondContact O-CA 3.37Å; N629-E633 WeakPolarHBondContact O-CB 3.47Å; N629-E633 PolarHBondContact O-N 3.17Å; N629-E633 PolarHBondContact OD1-OE1 3.29Å; E633-N635 PolarHBondContact O-N 3.21Å; E633-N635 VanDerWaalsContact O-N 3.08Å; E633-W636 HydrophobicContact CB-CB 4.3Å; E633-W636 WeakPolarHBondContact O-CB 3.35Å; E633-W636 PolarHBondContact O-N 2.83Å; E633-W636 VanDerWaalsContact O-N 3.08Å; E633-R645 VanDerWaalsContact CD-NH1 3.34Å; E633-R645 IonicContact OE1-NH1 3.28Å; E633-R645 IonicContact OE1-NH2 2.69Å; E633-R645 IonicContact OE2-CZ 3.43Å; E633-R645 IonicContact OE2-NH1 2.67Å; E633-R645 PolarHBondContact OE2-NH1 3.28Å; E633-R645 IonicContact OE2-NH2 3.84Å; E633-R645 PolarHBondContact OE2-NH2 3.38Å; E633-W658 WeakPolarHBondContact OE1-CH2 3.41Å; E633-K662 HydrophobicContact CG-CD 4.22Å; E633-K662 WeakPolarHBondContact OE1-CE 3.43Å; E633-K662 IonicContact OE1-NZ 3.42Å; E633-K662 PolarHBondContact OE1-NZ 2.88Å |
| 634 | S | 90.5 | Very high | 91.5 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.9 | -172.6 | 77.4 | 0 | 0 | 0 | 0 | 113.6 | R630 F668 R670 | R630-S634 WeakPolarHBondContact O-CB 3.49Å; S634-F668 PolarHBondContact N-O 3.14Å; S634-R670 WeakPolarHBondContact OG-CA 3.35Å; S634-R670 WeakPolarHBondContact OG-CB 3.37Å; S634-R670 PolarHBondContact OG-N 2.97Å; S634-R670 VanDerWaalsContact OG-N 3.11Å |
| 635 | N | 90.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 9.4 | -176.9 | -65.7 | -40.9 | 0 | 0 | 0 | 112.6 | E633 Q637 R638 Y639 F668 A669 P671 | E633-N635 PolarHBondContact O-N 3.21Å; E633-N635 VanDerWaalsContact O-N 3.08Å; N635-Q637 VanDerWaalsContact C-N 3.26Å; N635-Q637 PolarHBondContact O-N 3.24Å; N635-R638 WeakPolarHBondContact O-CB 3.3Å; N635-R638 PolarHBondContact O-N 3.38Å; N635-R638 VanDerWaalsContact O-N 3.14Å; N635-Y639 WeakPolarHBondContact O-CD2 3.37Å; N635-F668 WeakPolarHBondContact CB-O 3.21Å; N635-F668 PolarHBondContact N-O 3.48Å; N635-A669 PolarHBondContact ND2-O 2.78Å; N635-P671 WeakPolarHBondContact ND2-CD 3.28Å |
| 636 | W | 91.3 | Very high | 92 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -58.2 | -37.6 | -174.8 | 165.3 | 71.4 | 0 | 0 | 0 | 112.5 | E633 R638 Y639 A640 F643 R645 W658 F668 | E633-W636 HydrophobicContact CB-CB 4.3Å; E633-W636 WeakPolarHBondContact O-CB 3.35Å; E633-W636 PolarHBondContact O-N 2.83Å; E633-W636 VanDerWaalsContact O-N 3.08Å; W636-R638 PolarHBondContact O-N 2.82Å; W636-R638 VanDerWaalsContact O-N 3.08Å; W636-Y639 CarbonylContact O-C 3.5Å; W636-Y639 WeakPolarHBondContact O-CA 3.06Å; W636-Y639 PolarHBondContact O-N 2.92Å; W636-A640 HydrophobicContact CH2-CB 4.44Å; W636-A640 HydrophobicContact CZ2-CB 4.15Å; W636-A640 PolarHBondContact O-N 3.39Å; W636-F643 PolarHBondContact NE1-O 3.13Å; W636-R645 HydrophobicContact CH2-CB 3.76Å; W636-R645 HydrophobicContact CH2-CG 4.4Å; W636-R645 HydrophobicContact CZ2-CB 3.69Å; W636-R645 HydrophobicContact CZ2-CG 4.49Å; W636-W658 AromaticContact CD1-NE1 3.82Å; W636-W658 AromaticContact NE1-NE1 3.36Å; W636-F668 HydrophobicContact CB-CB 4.06Å; W636-F668 HydrophobicContact CB-CD1 4.4Å; W636-F668 HydrophobicContact CB-CD2 4.32Å; W636-F668 HydrophobicContact CB-CG 4.01Å; W636-F668 AromaticContact CD1-CE2 3.89Å; W636-F668 AromaticContact CD1-CZ 3.91Å |
| 637 | Q | 91.2 | Very high | 92 | Very high | 128 Ų | 128 | 55.3 Ų | 55.3 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -56.2 | -30.4 | -179.5 | -68.6 | 83.9 | -11.7 | 0 | 0 | 112.8 | N635 Y639 A640 | N635-Q637 VanDerWaalsContact C-N 3.26Å; N635-Q637 PolarHBondContact O-N 3.24Å; Q637-Y639 PolarHBondContact O-N 3.1Å; Q637-A640 WeakPolarHBondContact O-CB 3.25Å; Q637-A640 PolarHBondContact O-N 3.32Å |
| 638 | R | 89.3 | Confident | 91.8 | Very high | 137 Ų | 137 | 58.2 Ų | 58.2 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -67.9 | -23.7 | 177.3 | -60.7 | 178.2 | 176.6 | -153.5 | -11.1 | 113 | N635 W636 E676 | N635-R638 WeakPolarHBondContact O-CB 3.3Å; N635-R638 PolarHBondContact O-N 3.38Å; N635-R638 VanDerWaalsContact O-N 3.14Å; W636-R638 PolarHBondContact O-N 2.82Å; W636-R638 VanDerWaalsContact O-N 3.08Å; R638-E676 IonicContact CZ-OE1 3.5Å; R638-E676 IonicContact CZ-OE2 3.49Å; R638-E676 IonicContact NH1-OE1 3.63Å; R638-E676 PolarHBondContact NH1-OE1 3.02Å; R638-E676 IonicContact NH1-OE2 2.86Å; R638-E676 PolarHBondContact NH1-OE2 2.75Å; R638-E676 IonicContact NH2-OE1 3.83Å; R638-E676 IonicContact NH2-OE2 2.77Å; R638-E676 PolarHBondContact NH2-OE2 3.11Å |
| 639 | Y | 91.9 | Very high | 91.5 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 31% | 0.314 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -109.2 | 10.7 | -179.5 | -56.2 | -80.7 | 0 | 0 | 0 | 112.4 | N635 W636 Q637 S641 E642 F643 K667 F668 | N635-Y639 WeakPolarHBondContact O-CD2 3.37Å; W636-Y639 CarbonylContact O-C 3.5Å; W636-Y639 WeakPolarHBondContact O-CA 3.06Å; W636-Y639 PolarHBondContact O-N 2.92Å; Q637-Y639 PolarHBondContact O-N 3.1Å; Y639-S641 PolarHBondContact O-N 2.86Å; Y639-S641 VanDerWaalsContact O-N 3.14Å; Y639-E642 PolarHBondContact O-N 3.02Å; Y639-F643 PolarHBondContact O-N 3.14Å; Y639-K667 HydrophobicContact CD1-CD 4.37Å; Y639-K667 HydrophobicContact CD1-CG 4.29Å; Y639-K667 HydrophobicContact CD2-CG 4.49Å; Y639-K667 HydrophobicContact CE1-CD 4.34Å; Y639-K667 HydrophobicContact CE1-CG 4.02Å; Y639-K667 HydrophobicContact CE2-CG 4.22Å; Y639-K667 WeakPolarHBondContact CE2-O 3.42Å; Y639-K667 HydrophobicContact CG-CG 4.5Å; Y639-F668 AromaticContact CD2-CD1 3.79Å; Y639-F668 HydrophobicContact CD2-CD1 3.79Å; Y639-F668 HydrophobicContact CD2-CE1 4.28Å; Y639-F668 HydrophobicContact CE2-CD1 4.49Å; Y639-F668 HydrophobicContact CG-CD1 4.25Å; Y639-F668 HydrophobicContact CG-CE1 4.28Å |
| 640 | A | 91.2 | Very high | 91.4 | Very high | 36 Ų | 36 | 64 Ų | 64 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W636 Q637 F643 | W636-A640 HydrophobicContact CH2-CB 4.44Å; W636-A640 HydrophobicContact CZ2-CB 4.15Å; W636-A640 PolarHBondContact O-N 3.39Å; Q637-A640 WeakPolarHBondContact O-CB 3.25Å; Q637-A640 PolarHBondContact O-N 3.32Å; A640-F643 CarbonylContact O-C 3.58Å |
| 641 | S | 90.5 | Very high | 91.4 | Very high | 118 Ų | 118 | 61 Ų | 61 | 83% | 0.825 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -38.5 | 174 | 52.7 | 0 | 0 | 0 | 0 | 113 | Y639 | Y639-S641 PolarHBondContact O-N 2.86Å; Y639-S641 VanDerWaalsContact O-N 3.14Å |
| 642 | E | 92.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 65.6 Ų | 65.6 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -35 | 178.1 | -169.4 | -172.7 | 158.7 | 0 | 0 | 111.5 | Y639 K667 | Y639-E642 PolarHBondContact O-N 3.02Å; E642-K667 IonicContact OE1-NZ 3.68Å; E642-K667 PolarHBondContact OE1-NZ 3.37Å; E642-K667 IonicContact OE2-NZ 2.77Å; E642-K667 PolarHBondContact OE2-NZ 3.07Å |
| 643 | F | 94.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 71.9 Ų | 71.9 | 8% | 0.075 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -129.2 | 82.2 | -177.2 | -60.6 | -77.7 | 0 | 0 | 0 | 111.3 | W636 Y639 A640 A657 A661 K667 F668 | W636-F643 PolarHBondContact NE1-O 3.13Å; Y639-F643 PolarHBondContact O-N 3.14Å; A640-F643 CarbonylContact O-C 3.58Å; F643-A657 HydrophobicContact CE1-CB 4.47Å; F643-A661 HydrophobicContact CD1-CB 4.21Å; F643-A661 HydrophobicContact CE1-CB 3.79Å; F643-A661 HydrophobicContact CE2-CB 4.13Å; F643-A661 HydrophobicContact CZ-CB 3.76Å; F643-K667 HydrophobicContact CE2-CD 3.84Å; F643-K667 HydrophobicContact CZ-CD 4.46Å; F643-F668 HydrophobicContact CB-CE1 4.26Å; F643-F668 HydrophobicContact CB-CZ 3.83Å; F643-F668 HydrophobicContact CD1-CZ 4.43Å; F643-F668 AromaticContact CD2-CE1 3.73Å; F643-F668 HydrophobicContact CD2-CE1 3.73Å; F643-F668 AromaticContact CD2-CZ 3.87Å; F643-F668 HydrophobicContact CD2-CZ 3.87Å; F643-F668 HydrophobicContact CE2-CE1 4.33Å; F643-F668 HydrophobicContact CG-CE1 4.13Å; F643-F668 AromaticContact CG-CZ 3.79Å; F643-F668 HydrophobicContact CG-CZ 3.79Å |
| 644 | P | 91.8 | Very high | 91.4 | Very high | 86 Ų | 86 | 76.7 Ų | 76.7 | 56% | 0.558 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 153.4 | 174.1 | -23.6 | 33.7 | 0 | 0 | 0 | 112.3 | L646 W658 | P644-L646 PolarHBondContact O-N 3.22Å; P644-W658 VanDerWaalsContact O-CD1 3.23Å; P644-W658 PolarHBondContact O-NE1 2.94Å |
| 645 | R | 93.7 | Very high | 91.6 | Very high | 76 Ų | 76 | 75.3 Ų | 75.3 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -65 | 134.7 | -179.9 | -170.2 | 64.8 | -177.7 | -172.2 | 4.6 | 109.8 | D569 S571 E633 W636 | D569-R645 PolarHBondContact O-NH2 3.43Å; S571-R645 PolarHBondContact OG-NH2 3.08Å; E633-R645 VanDerWaalsContact CD-NH1 3.34Å; E633-R645 IonicContact OE1-NH1 3.28Å; E633-R645 IonicContact OE1-NH2 2.69Å; E633-R645 IonicContact OE2-CZ 3.43Å; E633-R645 IonicContact OE2-NH1 2.67Å; E633-R645 PolarHBondContact OE2-NH1 3.28Å; E633-R645 IonicContact OE2-NH2 3.84Å; E633-R645 PolarHBondContact OE2-NH2 3.38Å; W636-R645 HydrophobicContact CH2-CB 3.76Å; W636-R645 HydrophobicContact CH2-CG 4.4Å; W636-R645 HydrophobicContact CZ2-CB 3.69Å; W636-R645 HydrophobicContact CZ2-CG 4.49Å |
| 646 | L | 93.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 76.5 Ų | 76.5 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 140 | 178.4 | -58.9 | 175.6 | 0 | 0 | 0 | 111.6 | D569 C570 P644 T650 R655 W658 I659 | D569-L646 HydrophobicContact CB-CD1 4.18Å; C570-L646 HydrophobicContact CB-CB 3.62Å; P644-L646 PolarHBondContact O-N 3.22Å; L646-T650 HydrophobicContact CD2-CG2 3.74Å; L646-R655 HydrophobicContact CD1-CG 4Å; L646-R655 HydrophobicContact CD2-CB 4.25Å; L646-R655 HydrophobicContact CD2-CG 4.35Å; L646-W658 HydrophobicContact CD1-CB 4.07Å; L646-W658 HydrophobicContact CD1-CD2 3.65Å; L646-W658 HydrophobicContact CD1-CE3 3.51Å; L646-W658 HydrophobicContact CD1-CG 3.87Å; L646-W658 HydrophobicContact CD1-CZ3 4.19Å; L646-W658 HydrophobicContact CD2-CB 3.82Å; L646-W658 HydrophobicContact CD2-CG 3.94Å; L646-W658 HydrophobicContact CG-CB 4.11Å; L646-W658 HydrophobicContact CG-CD2 3.87Å; L646-W658 HydrophobicContact CG-CE3 4.25Å; L646-W658 HydrophobicContact CG-CG 3.76Å; L646-I659 HydrophobicContact CD1-CG1 4.34Å |
| 647 | S | 88.1 | Confident | 92.1 | Very high | 46 Ų | 46 | 76.4 Ų | 76.4 | 32% | 0.322 | 40% | 0.402 | S | S | . | . | trans | -119.1 | -177.8 | 173.6 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | D649 T650 R655 | S647-D649 VanDerWaalsContact C-N 3.32Å; S647-D649 WeakPolarHBondContact CB-OD1 3.26Å; S647-D649 PolarHBondContact OG-OD1 2.84Å; S647-T650 PolarHBondContact N-OG1 3.35Å; S647-T650 PolarHBondContact O-OG1 3.13Å; S647-T650 PolarHBondContact OG-OG1 3.3Å; S647-R655 PolarHBondContact O-NH2 2.92Å | ||
| 648 | S | 84.9 | Confident | 92.4 | Very high | 83 Ų | 83 | 70.4 Ų | 70.4 | 58% | 0.58 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -71.8 | -26.7 | 177.9 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 649 | D | 88 | Confident | 92.8 | Very high | 129 Ų | 129 | 63.9 Ų | 63.9 | 69% | 0.69 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -93.9 | -4.8 | -178.1 | 59.8 | -36.6 | 0 | 0 | 0 | 113.9 | S647 | S647-D649 VanDerWaalsContact C-N 3.32Å; S647-D649 WeakPolarHBondContact CB-OD1 3.26Å; S647-D649 PolarHBondContact OG-OD1 2.84Å |
| 650 | T | 91.9 | Very high | 93 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | trans | -58.7 | 127.4 | 178.3 | -47.4 | 0 | 0 | 0 | 0 | 111.7 | L646 S647 Q654 R655 | L646-T650 HydrophobicContact CD2-CG2 3.74Å; S647-T650 PolarHBondContact N-OG1 3.35Å; S647-T650 PolarHBondContact O-OG1 3.13Å; S647-T650 PolarHBondContact OG-OG1 3.3Å; T650-Q654 HydrophobicContact CG2-CB 3.81Å; T650-R655 PolarHBondContact O-NH2 3.14Å | ||
| 651 | P | 92.7 | Very high | 93.2 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | trans | -57.2 | 152.4 | 177.8 | -25.6 | 34.1 | 0 | 0 | 0 | 113.5 | E653 Q654 R655 | P651-E653 PolarHBondContact O-N 2.75Å; P651-Q654 PolarHBondContact O-N 3.49Å; P651-R655 WeakPolarHBondContact O-CB 3.19Å; P651-R655 PolarHBondContact O-N 3.27Å | ||
| 652 | F | 93.2 | Very high | 93.5 | Very high | 96 Ų | 96 | 55 Ų | 55 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.6 | -45.3 | -176.2 | -177.8 | -92.5 | 0 | 0 | 0 | 113.2 | V593 R655 K656 | V593-F652 HydrophobicContact CB-CE2 4.49Å; V593-F652 HydrophobicContact CG2-CD2 3.95Å; V593-F652 HydrophobicContact CG2-CE2 3.55Å; V593-F652 HydrophobicContact CG2-CZ 4.13Å; F652-R655 WeakPolarHBondContact O-CB 3.37Å; F652-R655 PolarHBondContact O-N 3.11Å; F652-K656 HydrophobicContact CE1-CB 4.48Å; F652-K656 HydrophobicContact CE1-CD 4.08Å; F652-K656 WeakPolarHBondContact O-CB 3.34Å; F652-K656 PolarHBondContact O-N 2.84Å |
| 653 | E | 93.7 | Very high | 93.6 | Very high | 131 Ų | 131 | 50 Ų | 50 | 61% | 0.612 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | -178 | -63.8 | -55.1 | 149.8 | 0 | 0 | 112.9 | P651 K656 A657 | P651-E653 PolarHBondContact O-N 2.75Å; E653-K656 PolarHBondContact O-N 3.2Å; E653-A657 PolarHBondContact O-N 3.5Å |
| 654 | Q | 94.2 | Very high | 93.6 | Very high | 125 Ų | 125 | 52.2 Ų | 52.2 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 175.3 | -70 | 179.2 | 6 | 0 | 0 | 111.2 | T650 P651 K656 A657 W658 | T650-Q654 HydrophobicContact CG2-CB 3.81Å; P651-Q654 PolarHBondContact O-N 3.49Å; Q654-K656 VanDerWaalsContact C-N 3.33Å; Q654-K656 PolarHBondContact O-N 3.05Å; Q654-A657 PolarHBondContact O-N 2.82Å; Q654-W658 WeakPolarHBondContact O-CB 3.29Å; Q654-W658 PolarHBondContact O-N 2.83Å |
| 655 | R | 95.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 54 Ų | 54 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.1 | -172.3 | -177.8 | -60.7 | -86.3 | -8.1 | 111.6 | C590 V593 L646 S647 T650 P651 F652 W658 I659 | C590-R655 PolarHBondContact SG-NH1 3.45Å; V593-R655 HydrophobicContact CG2-CB 4.48Å; V593-R655 HydrophobicContact CG2-CG 4.01Å; L646-R655 HydrophobicContact CD1-CG 4Å; L646-R655 HydrophobicContact CD2-CB 4.25Å; L646-R655 HydrophobicContact CD2-CG 4.35Å; S647-R655 PolarHBondContact O-NH2 2.92Å; T650-R655 PolarHBondContact O-NH2 3.14Å; P651-R655 WeakPolarHBondContact O-CB 3.19Å; P651-R655 PolarHBondContact O-N 3.27Å; F652-R655 WeakPolarHBondContact O-CB 3.37Å; F652-R655 PolarHBondContact O-N 3.11Å; R655-W658 PolarHBondContact O-N 2.94Å; R655-I659 HydrophobicContact CG-CD1 3.86Å; R655-I659 WeakPolarHBondContact O-CB 3.35Å; R655-I659 VanDerWaalsContact O-CG1 3.29Å; R655-I659 WeakPolarHBondContact O-CG1 3.29Å; R655-I659 PolarHBondContact O-N 2.86Å |
| 656 | K | 96.1 | Very high | 93.6 | Very high | 60 Ų | 60 | 53.7 Ų | 53.7 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 177.1 | -176.8 | 179.1 | 173.4 | -168.8 | 0 | 111.9 | V593 F652 E653 Q654 W658 I659 E660 | V593-K656 HydrophobicContact CG1-CB 3.99Å; V593-K656 HydrophobicContact CG1-CG 4.08Å; F652-K656 HydrophobicContact CE1-CB 4.48Å; F652-K656 HydrophobicContact CE1-CD 4.08Å; F652-K656 WeakPolarHBondContact O-CB 3.34Å; F652-K656 PolarHBondContact O-N 2.84Å; E653-K656 PolarHBondContact O-N 3.2Å; Q654-K656 VanDerWaalsContact C-N 3.33Å; Q654-K656 PolarHBondContact O-N 3.05Å; K656-W658 VanDerWaalsContact C-N 3.3Å; K656-W658 PolarHBondContact O-N 3.19Å; K656-I659 PolarHBondContact O-N 3.49Å; K656-E660 WeakPolarHBondContact CE-OE1 3.22Å; K656-E660 HydrophobicContact CG-CG 4.39Å; K656-E660 WeakPolarHBondContact O-CB 3.26Å; K656-E660 WeakPolarHBondContact O-CG 3.43Å; K656-E660 PolarHBondContact O-N 3.09Å |
| 657 | A | 96 | Very high | 93.5 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F643 E653 Q654 A661 | F643-A657 HydrophobicContact CE1-CB 4.47Å; E653-A657 PolarHBondContact O-N 3.5Å; Q654-A657 PolarHBondContact O-N 2.82Å; A657-A661 WeakPolarHBondContact O-CB 3.34Å; A657-A661 PolarHBondContact O-N 3.01Å |
| 658 | W | 96.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.6 | -167.8 | 105.5 | 0 | 0 | 0 | 112.1 | D569 E633 W636 P644 L646 Q654 R655 K656 A661 K662 F668 | D569-W658 HydrophobicContact CB-CE3 4.28Å; D569-W658 HydrophobicContact CB-CH2 4.43Å; D569-W658 HydrophobicContact CB-CZ3 3.66Å; E633-W658 WeakPolarHBondContact OE1-CH2 3.41Å; W636-W658 AromaticContact CD1-NE1 3.82Å; W636-W658 AromaticContact NE1-NE1 3.36Å; P644-W658 VanDerWaalsContact O-CD1 3.23Å; P644-W658 PolarHBondContact O-NE1 2.94Å; L646-W658 HydrophobicContact CD1-CB 4.07Å; L646-W658 HydrophobicContact CD1-CD2 3.65Å; L646-W658 HydrophobicContact CD1-CE3 3.51Å; L646-W658 HydrophobicContact CD1-CG 3.87Å; L646-W658 HydrophobicContact CD1-CZ3 4.19Å; L646-W658 HydrophobicContact CD2-CB 3.82Å; L646-W658 HydrophobicContact CD2-CG 3.94Å; L646-W658 HydrophobicContact CG-CB 4.11Å; L646-W658 HydrophobicContact CG-CD2 3.87Å; L646-W658 HydrophobicContact CG-CE3 4.25Å; L646-W658 HydrophobicContact CG-CG 3.76Å; Q654-W658 WeakPolarHBondContact O-CB 3.29Å; Q654-W658 PolarHBondContact O-N 2.83Å; R655-W658 PolarHBondContact O-N 2.94Å; K656-W658 VanDerWaalsContact C-N 3.3Å; K656-W658 PolarHBondContact O-N 3.19Å; W658-A661 WeakPolarHBondContact O-CB 3.45Å; W658-A661 PolarHBondContact O-N 3.32Å; W658-K662 HydrophobicContact CE3-CB 4.41Å; W658-K662 HydrophobicContact CE3-CD 4.47Å; W658-K662 HydrophobicContact CH2-CD 3.58Å; W658-K662 HydrophobicContact CZ3-CB 4.08Å; W658-K662 HydrophobicContact CZ3-CD 3.41Å; W658-K662 VanDerWaalsContact CZ3-CD 3.41Å; W658-K662 HydrophobicContact CZ3-CG 4.39Å; W658-K662 PolarHBondContact O-N 3.3Å; W658-F668 HydrophobicContact CD2-CE2 4.13Å; W658-F668 AromaticContact CE2-CE2 3.82Å; W658-F668 HydrophobicContact CH2-CE2 4.49Å; W658-F668 HydrophobicContact CZ2-CD2 4.41Å; W658-F668 HydrophobicContact CZ2-CE2 4Å |
| 659 | I | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | -179.8 | -71.5 | 177.3 | 0 | 0 | 0 | 110.9 | D569 C590 V593 L597 L646 R655 K656 A661 K662 W663 | D569-I659 HydrophobicContact CB-CD1 4.34Å; D569-I659 HydrophobicContact CB-CG1 4.21Å; C590-I659 HydrophobicContact CB-CD1 4Å; V593-I659 HydrophobicContact CB-CD1 3.76Å; V593-I659 HydrophobicContact CG1-CB 3.97Å; V593-I659 HydrophobicContact CG1-CD1 3.76Å; V593-I659 HydrophobicContact CG1-CG1 4.41Å; V593-I659 HydrophobicContact CG1-CG2 3.9Å; V593-I659 HydrophobicContact CG2-CD1 4.2Å; L597-I659 HydrophobicContact CD1-CG2 3.92Å; L646-I659 HydrophobicContact CD1-CG1 4.34Å; R655-I659 HydrophobicContact CG-CD1 3.86Å; R655-I659 WeakPolarHBondContact O-CB 3.35Å; R655-I659 VanDerWaalsContact O-CG1 3.29Å; R655-I659 WeakPolarHBondContact O-CG1 3.29Å; R655-I659 PolarHBondContact O-N 2.86Å; K656-I659 PolarHBondContact O-N 3.49Å; I659-A661 VanDerWaalsContact C-N 3.34Å; I659-A661 PolarHBondContact O-N 3.01Å; I659-K662 PolarHBondContact O-N 2.92Å; I659-W663 WeakPolarHBondContact O-CB 3.49Å; I659-W663 PolarHBondContact O-N 3.48Å |
| 660 | E | 96.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | 172.8 | -76.5 | -178.3 | -177.3 | 0 | 0 | 112 | L597 K656 K662 V664 R665 | L597-E660 HydrophobicContact CD2-CG 3.69Å; K656-E660 WeakPolarHBondContact CE-OE1 3.22Å; K656-E660 HydrophobicContact CG-CG 4.39Å; K656-E660 WeakPolarHBondContact O-CB 3.26Å; K656-E660 WeakPolarHBondContact O-CG 3.43Å; K656-E660 PolarHBondContact O-N 3.09Å; E660-K662 VanDerWaalsContact C-N 3.32Å; E660-K662 PolarHBondContact O-N 3.32Å; E660-V664 HydrophobicContact CB-CG2 4.45Å; E660-V664 HydrophobicContact CG-CG2 4.36Å; E660-V664 WeakPolarHBondContact O-CA 3.31Å; E660-V664 VanDerWaalsContact O-CB 3.31Å; E660-V664 WeakPolarHBondContact O-CB 3.43Å; E660-V664 PolarHBondContact O-N 3.44Å; E660-R665 PolarHBondContact O-N 3.05Å; E660-R665 IonicContact OE2-CZ 3.87Å; E660-R665 IonicContact OE2-NH2 3.47Å; E660-R665 PolarHBondContact OE2-NH2 2.96Å |
| 661 | A | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | F643 A657 W658 I659 F666 K667 F668 | F643-A661 HydrophobicContact CD1-CB 4.21Å; F643-A661 HydrophobicContact CE1-CB 3.79Å; F643-A661 HydrophobicContact CE2-CB 4.13Å; F643-A661 HydrophobicContact CZ-CB 3.76Å; A657-A661 WeakPolarHBondContact O-CB 3.34Å; A657-A661 PolarHBondContact O-N 3.01Å; W658-A661 WeakPolarHBondContact O-CB 3.45Å; W658-A661 PolarHBondContact O-N 3.32Å; I659-A661 VanDerWaalsContact C-N 3.34Å; I659-A661 PolarHBondContact O-N 3.01Å; A661-F666 PolarHBondContact O-N 3.42Å; A661-K667 HydrophobicContact CB-CB 4.36Å; A661-K667 WeakPolarHBondContact O-CB 3.31Å; A661-K667 PolarHBondContact O-N 2.97Å; A661-F668 HydrophobicContact CB-CE1 4.15Å; A661-F668 HydrophobicContact CB-CE2 4.14Å; A661-F668 HydrophobicContact CB-CZ 3.61Å |
| 662 | K | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.4 | -50 | 177.9 | -178.1 | 174.8 | 171.7 | -173 | 0 | 113.1 | S568 D569 N629 L632 E633 W658 I659 E660 F666 F668 | S568-K662 PolarHBondContact O-NZ 3.4Å; S568-K662 PolarHBondContact OG-NZ 2.94Å; D569-K662 IonicContact OD1-NZ 2.69Å; D569-K662 PolarHBondContact OD1-NZ 3.02Å; N629-K662 PolarHBondContact OD1-NZ 3.05Å; L632-K662 HydrophobicContact CB-CG 4.45Å; E633-K662 HydrophobicContact CG-CD 4.22Å; E633-K662 WeakPolarHBondContact OE1-CE 3.43Å; E633-K662 IonicContact OE1-NZ 3.42Å; E633-K662 PolarHBondContact OE1-NZ 2.88Å; W658-K662 HydrophobicContact CE3-CB 4.41Å; W658-K662 HydrophobicContact CE3-CD 4.47Å; W658-K662 HydrophobicContact CH2-CD 3.58Å; W658-K662 HydrophobicContact CZ3-CB 4.08Å; W658-K662 HydrophobicContact CZ3-CD 3.41Å; W658-K662 VanDerWaalsContact CZ3-CD 3.41Å; W658-K662 HydrophobicContact CZ3-CG 4.39Å; W658-K662 PolarHBondContact O-N 3.3Å; I659-K662 PolarHBondContact O-N 2.92Å; E660-K662 VanDerWaalsContact C-N 3.32Å; E660-K662 PolarHBondContact O-N 3.32Å; K662-F666 WeakPolarHBondContact O-CA 3.29Å; K662-F666 WeakPolarHBondContact O-CD1 3.49Å; K662-F668 HydrophobicContact CB-CD2 3.85Å; K662-F668 HydrophobicContact CB-CE2 3.96Å; K662-F668 HydrophobicContact CG-CD2 4.34Å |
| 663 | W | 94.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -105.7 | -24.4 | -163.8 | -64.4 | 107.1 | 0 | 0 | 0 | 115.3 | D569 L582 V584 H594 V628 L632 I659 F666 | D569-W663 PolarHBondContact OD1-NE1 3.02Å; L582-W663 HydrophobicContact CB-CE3 4.34Å; L582-W663 HydrophobicContact CB-CH2 4.06Å; L582-W663 HydrophobicContact CB-CZ3 3.7Å; L582-W663 HydrophobicContact CD1-CD2 3.85Å; L582-W663 HydrophobicContact CD1-CE3 3.53Å; L582-W663 HydrophobicContact CD1-CG 4.44Å; L582-W663 HydrophobicContact CD1-CH2 4.28Å; L582-W663 HydrophobicContact CD1-CZ3 3.74Å; L582-W663 HydrophobicContact CD2-CE3 3.79Å; L582-W663 HydrophobicContact CD2-CZ3 3.82Å; L582-W663 HydrophobicContact CG-CE3 4.07Å; L582-W663 HydrophobicContact CG-CZ3 3.93Å; V584-W663 HydrophobicContact CB-CH2 4.43Å; V584-W663 HydrophobicContact CG1-CH2 3.78Å; V584-W663 HydrophobicContact CG1-CZ2 4.27Å; V584-W663 HydrophobicContact CG2-CH2 3.81Å; V584-W663 HydrophobicContact CG2-CZ2 3.92Å; H594-W663 AromaticContact CE1-CD1 3.56Å; H594-W663 AromaticContact CE1-CE2 3.85Å; H594-W663 AromaticContact CE1-CG 3.89Å; H594-W663 AromaticContact CE1-NE1 3.5Å; H594-W663 AromaticContact NE2-CD1 3.61Å; H594-W663 AromaticContact NE2-NE1 3.42Å; H594-W663 PolarHBondContact NE2-NE1 3.4Å; V628-W663 HydrophobicContact CG1-CH2 3.95Å; L632-W663 HydrophobicContact CD1-CD2 4.36Å; L632-W663 HydrophobicContact CD1-CE3 3.59Å; L632-W663 HydrophobicContact CD1-CH2 3.34Å; L632-W663 HydrophobicContact CD1-CZ2 4.13Å; L632-W663 HydrophobicContact CD1-CZ3 3.03Å; I659-W663 WeakPolarHBondContact O-CB 3.49Å; I659-W663 PolarHBondContact O-N 3.48Å; W663-F666 WeakPolarHBondContact O-CE1 3.25Å; W663-F666 WeakPolarHBondContact O-CZ 3.49Å |
| 664 | V | 93.6 | Very high | 91.3 | Very high | 64 Ų | 64 | 34.8 Ų | 34.8 | 39% | 0.388 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -41.4 | 178.1 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | L597 I601 E660 | L597-V664 HydrophobicContact CD1-CG2 4.31Å; L597-V664 HydrophobicContact CD2-CG2 4.2Å; I601-V664 HydrophobicContact CG2-CG2 3.97Å; E660-V664 HydrophobicContact CB-CG2 4.45Å; E660-V664 HydrophobicContact CG-CG2 4.36Å; E660-V664 WeakPolarHBondContact O-CA 3.31Å; E660-V664 VanDerWaalsContact O-CB 3.31Å; E660-V664 WeakPolarHBondContact O-CB 3.43Å; E660-V664 PolarHBondContact O-N 3.44Å |
| 665 | R | 93.3 | Very high | 89.9 | Confident | 123 Ų | 123 | 33.6 Ų | 33.6 | 46% | 0.464 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -102.1 | -10.3 | -174.6 | -56.8 | -178.9 | -170.8 | 129.4 | 14.8 | 113.9 | E660 K667 | E660-R665 PolarHBondContact O-N 3.05Å; E660-R665 IonicContact OE2-CZ 3.87Å; E660-R665 IonicContact OE2-NH2 3.47Å; E660-R665 PolarHBondContact OE2-NH2 2.96Å; R665-K667 PolarHBondContact O-N 2.97Å; R665-K667 VanDerWaalsContact O-N 3.08Å |
| 666 | F | 93.2 | Very high | 88.2 | Confident | 70 Ų | 70 | 37.6 Ų | 37.6 | 31% | 0.307 | 19% | 0.187 | S | C | . | . | trans | 48.7 | 32 | -175.5 | -55.5 | -60.9 | 0 | 0 | 0 | 114.2 | L632 A661 K662 W663 F668 A669 T800 | L632-F666 HydrophobicContact CD2-CD1 3.74Å; L632-F666 HydrophobicContact CD2-CE1 4.23Å; A661-F666 PolarHBondContact O-N 3.42Å; K662-F666 WeakPolarHBondContact O-CA 3.29Å; K662-F666 WeakPolarHBondContact O-CD1 3.49Å; W663-F666 WeakPolarHBondContact O-CE1 3.25Å; W663-F666 WeakPolarHBondContact O-CZ 3.49Å; F666-F668 PolarHBondContact O-N 2.99Å; F666-F668 VanDerWaalsContact O-N 3.16Å; F666-A669 HydrophobicContact CB-CB 4.07Å; F666-A669 WeakPolarHBondContact O-CB 3.31Å; F666-A669 PolarHBondContact O-N 3.29Å; F666-A669 VanDerWaalsContact O-N 3.11Å; F666-T800 HydrophobicContact CD1-CG2 4.05Å; F666-T800 HydrophobicContact CE1-CG2 4.02Å | ||
| 667 | K | 91.1 | Very high | 86.1 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.5 | -170.4 | -171.5 | 165.7 | 174.3 | 171.2 | 0 | 112.8 | Y639 E642 F643 A661 R665 | Y639-K667 HydrophobicContact CD1-CD 4.37Å; Y639-K667 HydrophobicContact CD1-CG 4.29Å; Y639-K667 HydrophobicContact CD2-CG 4.49Å; Y639-K667 HydrophobicContact CE1-CD 4.34Å; Y639-K667 HydrophobicContact CE1-CG 4.02Å; Y639-K667 HydrophobicContact CE2-CG 4.22Å; Y639-K667 WeakPolarHBondContact CE2-O 3.42Å; Y639-K667 HydrophobicContact CG-CG 4.5Å; E642-K667 IonicContact OE1-NZ 3.68Å; E642-K667 PolarHBondContact OE1-NZ 3.37Å; E642-K667 IonicContact OE2-NZ 2.77Å; E642-K667 PolarHBondContact OE2-NZ 3.07Å; F643-K667 HydrophobicContact CE2-CD 3.84Å; F643-K667 HydrophobicContact CZ-CD 4.46Å; A661-K667 HydrophobicContact CB-CB 4.36Å; A661-K667 WeakPolarHBondContact O-CB 3.31Å; A661-K667 PolarHBondContact O-N 2.97Å; R665-K667 PolarHBondContact O-N 2.97Å; R665-K667 VanDerWaalsContact O-N 3.08Å |
| 668 | F | 93.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -8.4 | -177.6 | -47.9 | -31.5 | 0 | 0 | 0 | 113.5 | L632 S634 N635 W636 Y639 F643 W658 A661 K662 F666 | L632-F668 CarbonylContact O-C 3.42Å; L632-F668 WeakPolarHBondContact O-CB 3.25Å; S634-F668 PolarHBondContact N-O 3.14Å; N635-F668 WeakPolarHBondContact CB-O 3.21Å; N635-F668 PolarHBondContact N-O 3.48Å; W636-F668 HydrophobicContact CB-CB 4.06Å; W636-F668 HydrophobicContact CB-CD1 4.4Å; W636-F668 HydrophobicContact CB-CD2 4.32Å; W636-F668 HydrophobicContact CB-CG 4.01Å; W636-F668 AromaticContact CD1-CE2 3.89Å; W636-F668 AromaticContact CD1-CZ 3.91Å; Y639-F668 AromaticContact CD2-CD1 3.79Å; Y639-F668 HydrophobicContact CD2-CD1 3.79Å; Y639-F668 HydrophobicContact CD2-CE1 4.28Å; Y639-F668 HydrophobicContact CE2-CD1 4.49Å; Y639-F668 HydrophobicContact CG-CD1 4.25Å; Y639-F668 HydrophobicContact CG-CE1 4.28Å; F643-F668 HydrophobicContact CB-CE1 4.26Å; F643-F668 HydrophobicContact CB-CZ 3.83Å; F643-F668 HydrophobicContact CD1-CZ 4.43Å; F643-F668 AromaticContact CD2-CE1 3.73Å; F643-F668 HydrophobicContact CD2-CE1 3.73Å; F643-F668 AromaticContact CD2-CZ 3.87Å; F643-F668 HydrophobicContact CD2-CZ 3.87Å; F643-F668 HydrophobicContact CE2-CE1 4.33Å; F643-F668 HydrophobicContact CG-CE1 4.13Å; F643-F668 AromaticContact CG-CZ 3.79Å; F643-F668 HydrophobicContact CG-CZ 3.79Å; W658-F668 HydrophobicContact CD2-CE2 4.13Å; W658-F668 AromaticContact CE2-CE2 3.82Å; W658-F668 HydrophobicContact CH2-CE2 4.49Å; W658-F668 HydrophobicContact CZ2-CD2 4.41Å; W658-F668 HydrophobicContact CZ2-CE2 4Å; A661-F668 HydrophobicContact CB-CE1 4.15Å; A661-F668 HydrophobicContact CB-CE2 4.14Å; A661-F668 HydrophobicContact CB-CZ 3.61Å; K662-F668 HydrophobicContact CB-CD2 3.85Å; K662-F668 HydrophobicContact CB-CE2 3.96Å; K662-F668 HydrophobicContact CG-CD2 4.34Å; F666-F668 PolarHBondContact O-N 2.99Å; F666-F668 VanDerWaalsContact O-N 3.16Å |
| 669 | A | 91.7 | Very high | 81.9 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -68.9 | 153.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I631 L632 N635 F666 P671 | I631-A669 CarbonylContact O-C 3.49Å; I631-A669 WeakPolarHBondContact O-CA 3.21Å; L632-A669 HydrophobicContact CD2-CB 3.98Å; L632-A669 PolarHBondContact O-N 3.49Å; N635-A669 PolarHBondContact ND2-O 2.78Å; F666-A669 HydrophobicContact CB-CB 4.07Å; F666-A669 WeakPolarHBondContact O-CB 3.31Å; F666-A669 PolarHBondContact O-N 3.29Å; F666-A669 VanDerWaalsContact O-N 3.11Å; A669-P671 WeakPolarHBondContact O-CD 3.32Å |
| 670 | R | 85.7 | Confident | 79.8 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 18% | 0.177 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 123.9 | 171.6 | -160.8 | 176.6 | 174.7 | 105.8 | 1.4 | 109 | I631 S634 E684 W688 | I631-R670 PolarHBondContact O-N 3.27Å; S634-R670 WeakPolarHBondContact OG-CA 3.35Å; S634-R670 WeakPolarHBondContact OG-CB 3.37Å; S634-R670 PolarHBondContact OG-N 2.97Å; S634-R670 VanDerWaalsContact OG-N 3.11Å; R670-E684 IonicContact CZ-OE1 2.77Å; R670-E684 IonicContact NH1-OE1 2.67Å; R670-E684 IonicContact NH2-OE1 3.59Å; R670-E684 PolarHBondContact NH2-OE1 3.03Å; R670-W688 HydrophobicContact CB-CZ2 4.46Å; R670-W688 VanDerWaalsContact CD-CD2 3.48Å |
| 671 | P | 83.5 | Confident | 78.2 | Confident | 33 Ų | 33 | 58.2 Ų | 58.2 | 21% | 0.214 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 143.3 | 171.2 | 30.3 | -34.1 | 0 | 0 | 0 | 109.8 | N635 A669 L673 L675 | N635-P671 WeakPolarHBondContact ND2-CD 3.28Å; A669-P671 WeakPolarHBondContact O-CD 3.32Å; P671-L673 WeakPolarHBondContact CB-O 3.03Å; P671-L673 WeakPolarHBondContact CG-O 3.43Å; P671-L673 PolarHBondContact O-N 3.36Å; P671-L675 HydrophobicContact CB-CD1 4.15Å; P671-L675 HydrophobicContact CB-CG 4.27Å; P671-L675 HydrophobicContact CG-CD1 4.15Å; P671-L675 HydrophobicContact CG-CG 4.24Å |
| 672 | S | 83.9 | Confident | 76.7 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -56.5 | -31.9 | 174.8 | -39 | 0 | 0 | 0 | 0 | 113.7 | Q775 | S672-Q775 PolarHBondContact OG-NE2 2.82Š|
| 673 | L | 79.5 | Confident | 75.7 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -121.9 | 138.6 | 169.8 | -62.7 | 171.9 | 0 | 0 | 0 | 109.5 | P671 L675 I751 L754 E774 Q775 A778 | P671-L673 WeakPolarHBondContact CB-O 3.03Å; P671-L673 WeakPolarHBondContact CG-O 3.43Å; P671-L673 PolarHBondContact O-N 3.36Å; L673-L675 PolarHBondContact O-N 3.01Å; L673-I751 HydrophobicContact CD2-CG2 4.12Å; L673-L754 HydrophobicContact CD1-CB 4.28Å; L673-L754 HydrophobicContact CD2-CB 4.42Å; L673-E774 HydrophobicContact CD1-CB 3.98Å; L673-Q775 PolarHBondContact O-OE1 3.26Å; L673-A778 HydrophobicContact CD1-CB 3.92Å; L673-A778 HydrophobicContact CD2-CB 4.16Å; L673-A778 HydrophobicContact CG-CB 3.74Å |
| 674 | P | 69.8 | Low | 75 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | trans | -58.2 | 132 | 175 | -21.1 | 29.9 | 0 | 0 | 0 | 111.9 | V679 A685 Y755 | P674-V679 HydrophobicContact CB-CG1 4.29Å; P674-A685 HydrophobicContact CG-CB 4.06Å; P674-Y755 HydrophobicContact CB-CE2 4.05Å; P674-Y755 HydrophobicContact CG-CD2 4.23Å; P674-Y755 HydrophobicContact CG-CE2 3.81Å | ||
| 675 | L | 63.2 | Low | 74.5 | Confident | 101 Ų | 101 | 61.3 Ų | 61.3 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | trans | -90.7 | -18.7 | -176.3 | -69.6 | 167.4 | 0 | 0 | 0 | 114.2 | P671 L673 R771 | P671-L675 HydrophobicContact CB-CD1 4.15Å; P671-L675 HydrophobicContact CB-CG 4.27Å; P671-L675 HydrophobicContact CG-CD1 4.15Å; P671-L675 HydrophobicContact CG-CG 4.24Å; L673-L675 PolarHBondContact O-N 3.01Å; L675-R771 PolarHBondContact O-NH1 2.82Å | ||
| 676 | E | 60.8 | Low | 74.3 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | trans | -102.4 | 137.7 | -167.9 | -77.3 | 176.5 | 174.4 | 0 | 0 | 113.8 | R638 K678 V679 | R638-E676 IonicContact CZ-OE1 3.5Å; R638-E676 IonicContact CZ-OE2 3.49Å; R638-E676 IonicContact NH1-OE1 3.63Å; R638-E676 PolarHBondContact NH1-OE1 3.02Å; R638-E676 IonicContact NH1-OE2 2.86Å; R638-E676 PolarHBondContact NH1-OE2 2.75Å; R638-E676 IonicContact NH2-OE1 3.83Å; R638-E676 IonicContact NH2-OE2 2.77Å; R638-E676 PolarHBondContact NH2-OE2 3.11Å; E676-K678 VanDerWaalsContact C-N 3.27Å; E676-K678 PolarHBondContact O-N 3.23Å; E676-V679 HydrophobicContact CB-CG2 3.82Å; E676-V679 PolarHBondContact O-N 3.04Å | ||
| 677 | E | 51.8 | Low | 74.1 | Confident | 158 Ų | 158 | 59.1 Ų | 59.1 | 74% | 0.738 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27.4 | 179.1 | -76.6 | 178.6 | 167.8 | 0 | 0 | 114.4 | V679 | E677-V679 VanDerWaalsContact C-N 3.29Å; E677-V679 PolarHBondContact O-N 3.47Å |
| 678 | K | 54.4 | Low | 73.9 | Confident | 201 Ų | 201 | 57.6 Ų | 57.6 | 87% | 0.874 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1 | -174.8 | -69.6 | -171.8 | 177.4 | -177.8 | 0 | 113.9 | E676 | E676-K678 VanDerWaalsContact C-N 3.27Å; E676-K678 PolarHBondContact O-N 3.23Å |
| 679 | V | 51.3 | Low | 73.9 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -87.6 | 124.7 | -174.2 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | P674 E676 E677 D681 E684 | P674-V679 HydrophobicContact CB-CG1 4.29Å; E676-V679 HydrophobicContact CB-CG2 3.82Å; E676-V679 PolarHBondContact O-N 3.04Å; E677-V679 VanDerWaalsContact C-N 3.29Å; E677-V679 PolarHBondContact O-N 3.47Å; V679-D681 PolarHBondContact O-N 2.83Å; V679-E684 WeakPolarHBondContact CG1-OE2 3.27Å |
| 680 | S | 52.9 | Low | 74 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 66% | 0.664 | 31% | 0.31 | S | S | * | . | trans | -50.1 | 130.2 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 681 | D | 62.7 | Low | 74.3 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 28.6 | 143.5 | 160.5 | -150 | 8.5 | 0 | 0 | 0 | 119.5 | V679 T683 E684 | V679-D681 PolarHBondContact O-N 2.83Å; D681-T683 VanDerWaalsContact CG-OG1 3.29Å; D681-T683 PolarHBondContact O-N 2.91Å; D681-T683 PolarHBondContact OD2-OG1 3.2Å; D681-E684 PolarHBondContact O-N 3.43Å |
| 682 | S | 64.5 | Low | 74.6 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -25.6 | 176.1 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | E684 K752 E756 | S682-E684 VanDerWaalsContact C-N 3.33Å; S682-E684 PolarHBondContact O-N 3.34Å; S682-K752 WeakPolarHBondContact OG-CE 3.2Å; S682-E756 WeakPolarHBondContact CB-OE1 3.49Å; S682-E756 PolarHBondContact OG-OE1 3.45Å |
| 683 | T | 73.9 | Confident | 75.1 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 31% | 0.307 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -49.1 | -36.3 | 172 | -39.7 | 0 | 0 | 0 | 0 | 115.1 | D681 Q687 | D681-T683 VanDerWaalsContact CG-OG1 3.29Å; D681-T683 PolarHBondContact O-N 2.91Å; D681-T683 PolarHBondContact OD2-OG1 3.2Å; T683-Q687 HydrophobicContact CG2-CG 4.13Å; T683-Q687 WeakPolarHBondContact O-CB 3.23Å; T683-Q687 WeakPolarHBondContact O-CG 3.21Å; T683-Q687 PolarHBondContact O-N 3.13Å |
| 684 | E | 81.9 | Confident | 75.6 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.3 | -47.3 | -176.1 | -164.1 | -160 | 138.5 | 0 | 0 | 112.6 | R670 V679 D681 S682 V686 Q687 W688 | R670-E684 IonicContact CZ-OE1 2.77Å; R670-E684 IonicContact NH1-OE1 2.67Å; R670-E684 IonicContact NH2-OE1 3.59Å; R670-E684 PolarHBondContact NH2-OE1 3.03Å; V679-E684 WeakPolarHBondContact CG1-OE2 3.27Å; D681-E684 PolarHBondContact O-N 3.43Å; S682-E684 VanDerWaalsContact C-N 3.33Å; S682-E684 PolarHBondContact O-N 3.34Å; E684-V686 VanDerWaalsContact C-N 3.34Å; E684-V686 PolarHBondContact O-N 3.32Å; E684-Q687 PolarHBondContact O-N 3.27Å; E684-W688 WeakPolarHBondContact O-CB 3.15Å; E684-W688 PolarHBondContact O-N 3.35Å |
| 685 | A | 81.8 | Confident | 76.5 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P674 W688 I689 | P674-A685 HydrophobicContact CG-CB 4.06Å; A685-W688 PolarHBondContact O-N 2.97Å; A685-I689 WeakPolarHBondContact O-CG1 3.49Å; A685-I689 PolarHBondContact O-N 3.13Å |
| 686 | V | 88.5 | Confident | 77.8 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 176.4 | 167 | 0 | 0 | 0 | 0 | 111.2 | E684 W688 I689 K690 L748 I751 K752 | E684-V686 VanDerWaalsContact C-N 3.34Å; E684-V686 PolarHBondContact O-N 3.32Å; V686-W688 VanDerWaalsContact C-N 3.32Å; V686-W688 PolarHBondContact O-N 3.36Å; V686-I689 PolarHBondContact O-N 3.24Å; V686-K690 WeakPolarHBondContact O-CB 3.39Å; V686-K690 PolarHBondContact O-N 3Å; V686-L748 HydrophobicContact CG1-CB 4.05Å; V686-L748 HydrophobicContact CG1-CD1 4.19Å; V686-L748 HydrophobicContact CG1-CD2 4.05Å; V686-L748 HydrophobicContact CG1-CG 4.29Å; V686-L748 WeakPolarHBondContact O-CD2 3.36Å; V686-I751 HydrophobicContact CG2-CG2 4.47Å; V686-K752 HydrophobicContact CG2-CB 4.1Å |
| 687 | Q | 88.9 | Confident | 79 | Confident | 121 Ų | 121 | 59.6 Ų | 59.6 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 177.2 | -79.3 | 177.2 | -4.3 | 0 | 0 | 111.6 | T683 E684 K690 Q691 | T683-Q687 HydrophobicContact CG2-CG 4.13Å; T683-Q687 WeakPolarHBondContact O-CB 3.23Å; T683-Q687 WeakPolarHBondContact O-CG 3.21Å; T683-Q687 PolarHBondContact O-N 3.13Å; E684-Q687 PolarHBondContact O-N 3.27Å; Q687-K690 PolarHBondContact O-N 2.98Å; Q687-Q691 VanDerWaalsContact O-CB 3.25Å; Q687-Q691 WeakPolarHBondContact O-CB 3.5Å; Q687-Q691 PolarHBondContact O-N 3.23Å |
| 688 | W | 88.8 | Confident | 80.5 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 11% | 0.114 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 178.6 | 178.8 | 82.2 | 0 | 0 | 0 | 112.6 | I631 R670 E684 A685 V686 K690 Q691 L692 S797 | I631-W688 HydrophobicContact CG1-CH2 4.13Å; I631-W688 HydrophobicContact CG1-CZ2 3.93Å; R670-W688 HydrophobicContact CB-CZ2 4.46Å; R670-W688 VanDerWaalsContact CD-CD2 3.48Å; E684-W688 WeakPolarHBondContact O-CB 3.15Å; E684-W688 PolarHBondContact O-N 3.35Å; A685-W688 PolarHBondContact O-N 2.97Å; V686-W688 VanDerWaalsContact C-N 3.32Å; V686-W688 PolarHBondContact O-N 3.36Å; W688-K690 VanDerWaalsContact C-N 3.32Å; W688-K690 PolarHBondContact O-N 3.44Å; W688-Q691 PolarHBondContact O-N 3.24Å; W688-L692 HydrophobicContact CH2-CD2 3.73Å; W688-L692 HydrophobicContact CZ2-CD2 4.08Å; W688-L692 HydrophobicContact CZ3-CD2 4.16Å; W688-L692 WeakPolarHBondContact O-CB 3.38Å; W688-L692 PolarHBondContact O-N 3Å; W688-S797 WeakPolarHBondContact CH2-OG 3.39Å |
| 689 | I | 91.8 | Very high | 81.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 176.8 | -68.1 | 168.9 | 0 | 0 | 0 | 110.2 | A685 V686 L692 Y693 L744 L747 L748 I751 L782 L794 | A685-I689 WeakPolarHBondContact O-CG1 3.49Å; A685-I689 PolarHBondContact O-N 3.13Å; V686-I689 PolarHBondContact O-N 3.24Å; I689-L692 PolarHBondContact O-N 3.31Å; I689-Y693 PolarHBondContact O-N 3.43Å; I689-L744 HydrophobicContact CG2-CD1 4.46Å; I689-L747 HydrophobicContact CG2-CD2 3.99Å; I689-L748 HydrophobicContact CB-CD2 3.75Å; I689-L748 HydrophobicContact CG2-CD2 3.63Å; I689-I751 HydrophobicContact CD1-CB 4.32Å; I689-I751 HydrophobicContact CD1-CD1 4.36Å; I689-I751 HydrophobicContact CD1-CG1 3.85Å; I689-I751 HydrophobicContact CD1-CG2 3.93Å; I689-L782 HydrophobicContact CD1-CD2 3.95Å; I689-L782 HydrophobicContact CG1-CD2 4.25Å; I689-L782 HydrophobicContact CG2-CD2 4.43Å; I689-L794 HydrophobicContact CG2-CD2 3.86Å |
| 690 | K | 93.4 | Very high | 83 | Confident | 90 Ų | 90 | 49 Ų | 49 | 39% | 0.391 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -49 | 176.6 | -174.5 | 176.6 | 177.2 | -179.9 | 0 | 111.3 | V686 Q687 W688 L692 Y693 D694 L744 L748 | V686-K690 WeakPolarHBondContact O-CB 3.39Å; V686-K690 PolarHBondContact O-N 3Å; Q687-K690 PolarHBondContact O-N 2.98Å; W688-K690 VanDerWaalsContact C-N 3.32Å; W688-K690 PolarHBondContact O-N 3.44Å; K690-L692 VanDerWaalsContact C-N 3.3Å; K690-L692 PolarHBondContact O-N 3.02Å; K690-Y693 PolarHBondContact O-N 3.04Å; K690-D694 WeakPolarHBondContact O-CB 3.49Å; K690-D694 VanDerWaalsContact O-CG 3.27Å; K690-D694 PolarHBondContact O-N 3.22Å; K690-L744 HydrophobicContact CG-CD2 4.36Å; K690-L748 HydrophobicContact CB-CD1 4.02Å; K690-L748 HydrophobicContact CD-CD1 4.37Å; K690-L748 HydrophobicContact CG-CD1 4.39Å |
| 691 | Q | 92.2 | Very high | 84.2 | Confident | 113 Ų | 113 | 46.3 Ų | 46.3 | 53% | 0.528 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63 | -36.4 | 178.7 | -170.2 | -176.1 | 19.7 | 0 | 0 | 112.2 | Q687 W688 Y693 N695 | Q687-Q691 VanDerWaalsContact O-CB 3.25Å; Q687-Q691 WeakPolarHBondContact O-CB 3.5Å; Q687-Q691 PolarHBondContact O-N 3.23Å; W688-Q691 PolarHBondContact O-N 3.24Å; Q691-Y693 VanDerWaalsContact C-N 3.35Å; Q691-N695 VanDerWaalsContact O-CB 3.27Å; Q691-N695 WeakPolarHBondContact O-CB 3.39Å; Q691-N695 PolarHBondContact O-N 3.47Å; Q691-N695 PolarHBondContact O-ND2 2.64Å |
| 692 | L | 91.4 | Very high | 84.6 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.4 | -177.3 | 66.3 | 0 | 0 | 0 | 110.8 | I631 W688 I689 K690 W696 L793 L794 | I631-L692 HydrophobicContact CD1-CD1 4.22Å; I631-L692 HydrophobicContact CD1-CD2 4.08Å; I631-L692 HydrophobicContact CG1-CD1 4.31Å; I631-L692 HydrophobicContact CG1-CD2 4.37Å; W688-L692 HydrophobicContact CH2-CD2 3.73Å; W688-L692 HydrophobicContact CZ2-CD2 4.08Å; W688-L692 HydrophobicContact CZ3-CD2 4.16Å; W688-L692 WeakPolarHBondContact O-CB 3.38Å; W688-L692 PolarHBondContact O-N 3Å; I689-L692 PolarHBondContact O-N 3.31Å; K690-L692 VanDerWaalsContact C-N 3.3Å; K690-L692 PolarHBondContact O-N 3.02Å; L692-W696 WeakPolarHBondContact O-CB 3.23Å; L692-W696 PolarHBondContact O-N 2.95Å; L692-W696 VanDerWaalsContact O-N 3.16Å; L692-L793 HydrophobicContact CD1-CB 4.31Å; L692-L793 HydrophobicContact CD1-CD1 4.34Å; L692-L793 HydrophobicContact CD2-CB 4.44Å; L692-L793 HydrophobicContact CG-CB 4.33Å; L692-L794 HydrophobicContact CD2-CD2 4.11Å |
| 693 | Y | 92.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -45.4 | 177.3 | -175.1 | -98.9 | 0 | 0 | 0 | 112.6 | I689 K690 Q691 N695 W696 Q697 Q740 L744 L789 C791 L794 | I689-Y693 PolarHBondContact O-N 3.43Å; K690-Y693 PolarHBondContact O-N 3.04Å; Q691-Y693 VanDerWaalsContact C-N 3.35Å; Y693-N695 PolarHBondContact O-N 3.18Å; Y693-W696 HydrophobicContact CD2-CE3 4.02Å; Y693-W696 HydrophobicContact CD2-CZ3 4.33Å; Y693-W696 AromaticContact CE2-CE3 3.83Å; Y693-W696 HydrophobicContact CE2-CE3 3.83Å; Y693-W696 AromaticContact CE2-CZ3 3.69Å; Y693-W696 HydrophobicContact CE2-CZ3 3.69Å; Y693-W696 WeakPolarHBondContact O-CB 3.33Å; Y693-W696 PolarHBondContact O-N 2.84Å; Y693-W696 VanDerWaalsContact O-N 3.16Å; Y693-Q697 HydrophobicContact CD1-CG 4.19Å; Y693-Q697 HydrophobicContact CE1-CG 3.74Å; Y693-Q697 HydrophobicContact CE2-CG 4.5Å; Y693-Q697 PolarHBondContact O-N 3.18Å; Y693-Q697 PolarHBondContact OH-NE2 3.22Å; Y693-Q740 PolarHBondContact OH-OE1 3.26Å; Y693-Q740 VanDerWaalsContact OH-OE1 3.09Å; Y693-L744 HydrophobicContact CD1-CD1 4.37Å; Y693-L744 HydrophobicContact CD1-CD2 3.55Å; Y693-L744 HydrophobicContact CD1-CG 4.47Å; Y693-L744 HydrophobicContact CE1-CD2 4.17Å; Y693-L744 HydrophobicContact CG-CD1 4.08Å; Y693-L744 HydrophobicContact CG-CD2 4.05Å; Y693-L789 HydrophobicContact CD2-CD1 4.22Å; Y693-L789 HydrophobicContact CE2-CB 3.97Å; Y693-L789 HydrophobicContact CE2-CD1 3.93Å; Y693-L789 HydrophobicContact CE2-CD2 4.35Å; Y693-L789 HydrophobicContact CE2-CG 4.31Å; Y693-C791 HydrophobicContact CD2-CB 4.15Å; Y693-C791 HydrophobicContact CE2-CB 4.11Å; Y693-L794 HydrophobicContact CD2-CD1 3.89Å |
| 694 | D | 91.7 | Very high | 84.6 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 179.3 | -70.5 | -22.3 | 0 | 0 | 0 | 111.2 | K690 W696 Q697 E698 Y741 | K690-D694 WeakPolarHBondContact O-CB 3.49Å; K690-D694 VanDerWaalsContact O-CG 3.27Å; K690-D694 PolarHBondContact O-N 3.22Å; D694-W696 VanDerWaalsContact C-N 3.28Å; D694-W696 PolarHBondContact O-N 3.37Å; D694-Q697 PolarHBondContact O-N 3.35Å; D694-E698 PolarHBondContact O-N 2.82Å; D694-Y741 VanDerWaalsContact OD1-CE1 3.3Å; D694-Y741 WeakPolarHBondContact OD1-CE1 3.44Å; D694-Y741 PolarHBondContact OD1-OH 2.77Å |
| 695 | N | 88.7 | Confident | 83.9 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 176.1 | -71.6 | -28 | 0 | 0 | 0 | 112.3 | R630 Q691 Y693 A699 | R630-N695 PolarHBondContact NH1-ND2 2.85Å; Q691-N695 VanDerWaalsContact O-CB 3.27Å; Q691-N695 WeakPolarHBondContact O-CB 3.39Å; Q691-N695 PolarHBondContact O-N 3.47Å; Q691-N695 PolarHBondContact O-ND2 2.64Å; Y693-N695 PolarHBondContact O-N 3.18Å; N695-A699 WeakPolarHBondContact O-CB 3.4Å; N695-A699 PolarHBondContact O-N 3Å |
| 696 | W | 89.1 | Confident | 83 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -42.8 | 177.8 | 173.9 | 70.6 | 0 | 0 | 0 | 111.5 | N622 L692 Y693 D694 E698 A699 C700 G790 C791 L793 | N622-W696 PolarHBondContact O-NE1 3.02Å; N622-W696 VanDerWaalsContact OD1-CZ2 3.31Å; N622-W696 WeakPolarHBondContact OD1-CZ2 3.46Å; N622-W696 PolarHBondContact OD1-NE1 3.32Å; L692-W696 WeakPolarHBondContact O-CB 3.23Å; L692-W696 PolarHBondContact O-N 2.95Å; L692-W696 VanDerWaalsContact O-N 3.16Å; Y693-W696 HydrophobicContact CD2-CE3 4.02Å; Y693-W696 HydrophobicContact CD2-CZ3 4.33Å; Y693-W696 AromaticContact CE2-CE3 3.83Å; Y693-W696 HydrophobicContact CE2-CE3 3.83Å; Y693-W696 AromaticContact CE2-CZ3 3.69Å; Y693-W696 HydrophobicContact CE2-CZ3 3.69Å; Y693-W696 WeakPolarHBondContact O-CB 3.33Å; Y693-W696 PolarHBondContact O-N 2.84Å; Y693-W696 VanDerWaalsContact O-N 3.16Å; D694-W696 VanDerWaalsContact C-N 3.28Å; D694-W696 PolarHBondContact O-N 3.37Å; W696-E698 VanDerWaalsContact C-N 3.35Å; W696-A699 PolarHBondContact O-N 2.8Å; W696-C700 VanDerWaalsContact CE2-SG 3.53Å; W696-C700 PolarHBondContact NE1-SG 3.06Å; W696-C700 VanDerWaalsContact NE1-SG 3.44Å; W696-C700 WeakPolarHBondContact O-CB 3.35Å; W696-C700 PolarHBondContact O-N 3.45Å; W696-C700 PolarHBondContact O-SG 2.98Å; W696-G790 WeakPolarHBondContact CH2-O 3.38Å; W696-G790 WeakPolarHBondContact CZ2-O 3.45Å; W696-C791 HydrophobicContact CD2-CB 4.14Å; W696-C791 HydrophobicContact CE3-CB 3.82Å; W696-C791 VanDerWaalsContact CE3-SG 3.53Å; W696-C791 HydrophobicContact CH2-CB 3.92Å; W696-C791 HydrophobicContact CZ2-CB 4.24Å; W696-C791 HydrophobicContact CZ3-CB 3.69Å; W696-L793 HydrophobicContact CB-CD1 3.93Å; W696-L793 HydrophobicContact CG-CD1 4.11Å |
| 697 | Q | 85.7 | Confident | 81.8 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175 | -78.6 | -69.4 | -8.2 | 0 | 0 | 111.8 | Y693 D694 C700 A701 | Y693-Q697 HydrophobicContact CD1-CG 4.19Å; Y693-Q697 HydrophobicContact CE1-CG 3.74Å; Y693-Q697 HydrophobicContact CE2-CG 4.5Å; Y693-Q697 PolarHBondContact O-N 3.18Å; Y693-Q697 PolarHBondContact OH-NE2 3.22Å; D694-Q697 PolarHBondContact O-N 3.35Å; Q697-C700 PolarHBondContact O-N 3.02Å; Q697-A701 WeakPolarHBondContact O-CB 3.42Å; Q697-A701 PolarHBondContact O-N 3.22Å |
| 698 | E | 83.7 | Confident | 80 | Confident | 128 Ų | 128 | 52.5 Ų | 52.5 | 60% | 0.598 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 175.9 | -172.5 | 175.6 | -162.5 | 0 | 0 | 111.8 | D694 W696 C700 A701 Q702 | D694-E698 PolarHBondContact O-N 2.82Å; W696-E698 VanDerWaalsContact C-N 3.35Å; E698-C700 VanDerWaalsContact C-N 3.35Å; E698-C700 PolarHBondContact O-N 3.49Å; E698-A701 PolarHBondContact O-N 2.71Å; E698-Q702 WeakPolarHBondContact O-CB 3.49Å; E698-Q702 PolarHBondContact O-N 3.29Å |
| 699 | A | 79.7 | Confident | 78.2 | Confident | 31 Ų | 31 | 57 Ų | 57 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N695 W696 A701 Q702 I703 | N695-A699 WeakPolarHBondContact O-CB 3.4Å; N695-A699 PolarHBondContact O-N 3Å; W696-A699 PolarHBondContact O-N 2.8Å; A699-A701 PolarHBondContact O-N 2.97Å; A699-Q702 PolarHBondContact O-N 2.84Å; A699-I703 VanDerWaalsContact O-CG1 3.3Å; A699-I703 WeakPolarHBondContact O-CG1 3.2Å; A699-I703 PolarHBondContact O-N 3.29Å |
| 700 | C | 79.4 | Confident | 76.2 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.9 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | W696 Q697 E698 Q702 I703 R704 | W696-C700 VanDerWaalsContact CE2-SG 3.53Å; W696-C700 PolarHBondContact NE1-SG 3.06Å; W696-C700 VanDerWaalsContact NE1-SG 3.44Å; W696-C700 WeakPolarHBondContact O-CB 3.35Å; W696-C700 PolarHBondContact O-N 3.45Å; W696-C700 PolarHBondContact O-SG 2.98Å; Q697-C700 PolarHBondContact O-N 3.02Å; E698-C700 VanDerWaalsContact C-N 3.35Å; E698-C700 PolarHBondContact O-N 3.49Å; C700-Q702 VanDerWaalsContact C-N 3.33Å; C700-I703 PolarHBondContact O-N 3.4Å; C700-R704 VanDerWaalsContact O-CG 3.27Å; C700-R704 WeakPolarHBondContact O-CG 3.36Å; C700-R704 PolarHBondContact O-N 3.2Å; C700-R704 VanDerWaalsContact O-N 3.13Å |
| 701 | A | 76.8 | Confident | 73.7 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q697 E698 A699 R704 Q705 | Q697-A701 WeakPolarHBondContact O-CB 3.42Å; Q697-A701 PolarHBondContact O-N 3.22Å; E698-A701 PolarHBondContact O-N 2.71Å; A699-A701 PolarHBondContact O-N 2.97Å; A701-R704 PolarHBondContact O-N 3.06Å; A701-Q705 PolarHBondContact O-N 2.84Å |
| 702 | Q | 73 | Confident | 71 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 176.9 | -175.6 | 171.9 | 7.2 | 0 | 0 | 112.2 | E698 A699 C700 R704 Q705 D706 | E698-Q702 WeakPolarHBondContact O-CB 3.49Å; E698-Q702 PolarHBondContact O-N 3.29Å; A699-Q702 PolarHBondContact O-N 2.84Å; C700-Q702 VanDerWaalsContact C-N 3.33Å; Q702-R704 PolarHBondContact O-N 3.31Å; Q702-Q705 WeakPolarHBondContact O-CA 3.23Å; Q702-Q705 WeakPolarHBondContact O-CB 3.37Å; Q702-Q705 PolarHBondContact O-N 3.11Å; Q702-D706 WeakPolarHBondContact CG-OD2 3.4Å; Q702-D706 PolarHBondContact NE2-OD2 2.89Å; Q702-D706 WeakPolarHBondContact O-CB 3.38Å; Q702-D706 PolarHBondContact O-N 3.29Å |
| 703 | I | 68.4 | Low | 68.1 | Low | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 176.2 | -69.3 | 164.8 | 0 | 0 | 0 | 110.7 | E558 L621 A699 C700 Q705 D706 F707 | E558-I703 WeakPolarHBondContact OE1-CD1 3.34Å; L621-I703 HydrophobicContact CB-CD1 4.4Å; L621-I703 VanDerWaalsContact O-CD1 3.3Å; L621-I703 WeakPolarHBondContact O-CD1 2.92Å; A699-I703 VanDerWaalsContact O-CG1 3.3Å; A699-I703 WeakPolarHBondContact O-CG1 3.2Å; A699-I703 PolarHBondContact O-N 3.29Å; C700-I703 PolarHBondContact O-N 3.4Å; I703-Q705 VanDerWaalsContact C-N 3.28Å; I703-Q705 PolarHBondContact O-N 3.36Å; I703-D706 PolarHBondContact O-N 3.18Å; I703-F707 HydrophobicContact CG2-CD2 4.28Å; I703-F707 PolarHBondContact O-N 3.34Å |
| 704 | R | 69.8 | Low | 65.1 | Low | 91 Ų | 91 | 65.8 Ų | 65.8 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -34.9 | 175.5 | -70.6 | 173.2 | -165.5 | 137.2 | 0.3 | 112.9 | C700 A701 Q702 I711 | C700-R704 VanDerWaalsContact O-CG 3.27Å; C700-R704 WeakPolarHBondContact O-CG 3.36Å; C700-R704 PolarHBondContact O-N 3.2Å; C700-R704 VanDerWaalsContact O-N 3.13Å; A701-R704 PolarHBondContact O-N 3.06Å; Q702-R704 PolarHBondContact O-N 3.31Å; R704-I711 HydrophobicContact CB-CD1 3.71Å; R704-I711 HydrophobicContact CG-CD1 3.89Å; R704-I711 WeakPolarHBondContact O-CD1 3.33Å |
| 705 | Q | 66.6 | Low | 61.9 | Low | 153 Ų | 153 | 73.2 Ų | 73.2 | 72% | 0.715 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -78.3 | -42.6 | 179.3 | -175.4 | 176.9 | -0.2 | 0 | 0 | 112.3 | A701 Q702 I703 | A701-Q705 PolarHBondContact O-N 2.84Å; Q702-Q705 WeakPolarHBondContact O-CA 3.23Å; Q702-Q705 WeakPolarHBondContact O-CB 3.37Å; Q702-Q705 PolarHBondContact O-N 3.11Å; I703-Q705 VanDerWaalsContact C-N 3.28Å; I703-Q705 PolarHBondContact O-N 3.36Å |
| 706 | D | 63.4 | Low | 59 | Low | 73 Ų | 73 | 75.5 Ų | 75.5 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -77.5 | -27.4 | -174.2 | -70.4 | -12.2 | 0 | 0 | 0 | 112.2 | Q702 I703 P708 | Q702-D706 WeakPolarHBondContact CG-OD2 3.4Å; Q702-D706 PolarHBondContact NE2-OD2 2.89Å; Q702-D706 WeakPolarHBondContact O-CB 3.38Å; Q702-D706 PolarHBondContact O-N 3.29Å; I703-D706 PolarHBondContact O-N 3.18Å; D706-P708 VanDerWaalsContact C-CD 3.49Å; D706-P708 WeakPolarHBondContact O-CD 3.27Å |
| 707 | F | 61.7 | Low | 56.2 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | trans | -127.6 | 65.7 | -178.3 | -56.5 | -77.5 | 0 | 0 | 0 | 112.1 | L554 E558 I703 E709 L710 | L554-F707 HydrophobicContact CD2-CD1 4.17Å; L554-F707 HydrophobicContact CD2-CE1 4.28Å; E558-F707 HydrophobicContact CG-CE2 3.97Å; E558-F707 HydrophobicContact CG-CZ 4.25Å; I703-F707 HydrophobicContact CG2-CD2 4.28Å; I703-F707 PolarHBondContact O-N 3.34Å; F707-E709 PolarHBondContact O-N 2.71Å; F707-E709 VanDerWaalsContact O-N 3.14Å; F707-L710 HydrophobicContact CB-CB 4.23Å; F707-L710 HydrophobicContact CB-CD1 3.54Å; F707-L710 HydrophobicContact CB-CG 3.94Å; F707-L710 HydrophobicContact CD2-CD1 4.5Å; F707-L710 HydrophobicContact CG-CD1 4.03Å; F707-L710 VanDerWaalsContact O-CB 3.32Å; F707-L710 WeakPolarHBondContact O-CB 3.42Å; F707-L710 PolarHBondContact O-N 2.91Å | ||
| 708 | P | 52.8 | Low | 53.5 | Low | 81 Ų | 81 | 83 Ų | 83 | 53% | 0.526 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -64.1 | -20.7 | 179.6 | 27.7 | -34.9 | 0 | 0 | 0 | 112.6 | D706 L710 I711 | D706-P708 VanDerWaalsContact C-CD 3.49Å; D706-P708 WeakPolarHBondContact O-CD 3.27Å; P708-L710 VanDerWaalsContact C-N 3.26Å; P708-L710 PolarHBondContact O-N 2.92Å; P708-I711 CarbonylContact O-C 3.51Å; P708-I711 VanDerWaalsContact O-CA 3.29Å; P708-I711 WeakPolarHBondContact O-CA 3.5Å; P708-I711 WeakPolarHBondContact O-CB 3.42Å; P708-I711 PolarHBondContact O-N 2.86Å |
| 709 | E | 49.1 | Very low | 50.8 | Low | 125 Ų | 125 | 82.3 Ų | 82.3 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -67.6 | -22 | 171.3 | 57.4 | -149 | -169.2 | 0 | 0 | 113.9 | F707 I711 | F707-E709 PolarHBondContact O-N 2.71Å; F707-E709 VanDerWaalsContact O-N 3.14Å; E709-I711 PolarHBondContact O-N 3.03Å |
| 710 | L | 50.3 | Low | 48.4 | Very low | 27 Ų | 27 | 89.2 Ų | 89.2 | 14% | 0.141 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -77.2 | 5.4 | 163.4 | -67.1 | 170.1 | 0 | 0 | 0 | 111.9 | L547 L554 L621 F707 P708 Y937 | L547-L710 HydrophobicContact CD2-CD2 4.47Å; L554-L710 HydrophobicContact CD1-CD2 4.38Å; L621-L710 HydrophobicContact CD1-CD1 4.11Å; F707-L710 HydrophobicContact CB-CB 4.23Å; F707-L710 HydrophobicContact CB-CD1 3.54Å; F707-L710 HydrophobicContact CB-CG 3.94Å; F707-L710 HydrophobicContact CD2-CD1 4.5Å; F707-L710 HydrophobicContact CG-CD1 4.03Å; F707-L710 VanDerWaalsContact O-CB 3.32Å; F707-L710 WeakPolarHBondContact O-CB 3.42Å; F707-L710 PolarHBondContact O-N 2.91Å; P708-L710 VanDerWaalsContact C-N 3.26Å; P708-L710 PolarHBondContact O-N 2.92Å; L710-Y937 VanDerWaalsContact C-CD1 3.49Å; L710-Y937 HydrophobicContact CD2-CE1 4.4Å; L710-Y937 WeakPolarHBondContact O-CD1 3.5Å |
| 711 | I | 42 | Very low | 45.9 | Very low | 46 Ų | 46 | 93.7 Ų | 93.7 | 24% | 0.236 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -126 | 65.5 | 175.8 | -48.5 | 179.3 | 0 | 0 | 0 | 107.5 | R704 P708 E709 H713 | R704-I711 HydrophobicContact CB-CD1 3.71Å; R704-I711 HydrophobicContact CG-CD1 3.89Å; R704-I711 WeakPolarHBondContact O-CD1 3.33Å; P708-I711 CarbonylContact O-C 3.51Å; P708-I711 VanDerWaalsContact O-CA 3.29Å; P708-I711 WeakPolarHBondContact O-CA 3.5Å; P708-I711 WeakPolarHBondContact O-CB 3.42Å; P708-I711 PolarHBondContact O-N 2.86Å; E709-I711 PolarHBondContact O-N 3.03Å; I711-H713 WeakPolarHBondContact CG2-NE2 3.44Å; I711-H713 PolarHBondContact O-N 2.88Å |
| 712 | Y | 33.9 | Very low | 43.6 | Very low | 142 Ų | 142 | 97.3 Ų | 97.3 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | trans | -68.8 | 102 | 175.9 | -166.4 | -94.6 | 0 | 0 | 0 | 110 | P714 | Y712-P714 HydrophobicContact CD1-CB 4.46Å; Y712-P714 HydrophobicContact CE1-CB 4.04Å; Y712-P714 WeakPolarHBondContact O-CD 3.42Å | ||
| 713 | H | 30.6 | Very low | 41.5 | Very low | 117 Ų | 117 | 102.2 Ų | 102.2 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | trans | -85.8 | 105.8 | 163.6 | -70.5 | -69.3 | 0 | 0 | 0 | 108.6 | I711 K715 | I711-H713 WeakPolarHBondContact CG2-NE2 3.44Å; I711-H713 PolarHBondContact O-N 2.88Å; H713-K715 PolarHBondContact O-N 2.9Å | ||
| 714 | P | 29.6 | Very low | 39.3 | Very low | 65 Ų | 65 | 106.4 Ų | 106.4 | 42% | 0.422 | 59% | 0.591 | S | S | . | * | trans | -61.9 | 115.4 | 164.2 | 24.5 | -27.9 | 0 | 0 | 0 | 107 | Y712 S716 | Y712-P714 HydrophobicContact CD1-CB 4.46Å; Y712-P714 HydrophobicContact CE1-CB 4.04Å; Y712-P714 WeakPolarHBondContact O-CD 3.42Å; P714-S716 PolarHBondContact O-N 3.03Å | ||
| 715 | K | 25.3 | Very low | 37.3 | Very low | 204 Ų | 204 | 110 Ų | 110 | 89% | 0.887 | 62% | 0.616 | S | S | * | * | trans | -57.9 | 99.8 | 173.3 | -74.7 | -178.3 | 177.2 | 178.9 | 0 | 108 | H713 S717 | H713-K715 PolarHBondContact O-N 2.9Å; K715-S717 PolarHBondContact O-N 2.87Å; K715-S717 VanDerWaalsContact O-N 3.16Å | ||
| 716 | S | 28.8 | Very low | 35.4 | Very low | 98 Ų | 98 | 107.9 Ų | 107.9 | 69% | 0.685 | 62% | 0.618 | S | S | * | * | trans | -61.1 | 117 | 164 | 53.8 | 0 | 0 | 0 | 0 | 107 | P714 S718 | P714-S716 PolarHBondContact O-N 3.03Å; S716-S718 PolarHBondContact O-N 2.92Å | ||
| 717 | S | 28.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 110.1 Ų | 110.1 | 87% | 0.874 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -67.8 | 72.4 | 176.4 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | K715 | K715-S717 PolarHBondContact O-N 2.87Å; K715-S717 VanDerWaalsContact O-N 3.16Å |
| 718 | S | 28.9 | Very low | 32 | Very low | 84 Ų | 84 | 113.4 Ų | 113.4 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -173.2 | 108.6 | 162.6 | 50.8 | 0 | 0 | 0 | 0 | 110 | S716 | S716-S718 PolarHBondContact O-N 2.92Š|
| 719 | S | 28.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | trans | 47.4 | 92.9 | 150.6 | 61.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 720 | L | 27.6 | Very low | 30.2 | Very low | 176 Ų | 176 | 116.3 Ų | 116.3 | 92% | 0.921 | 69% | 0.687 | S | S | * | * | trans | -132.5 | 107.8 | 142.6 | -82 | 168.5 | 0 | 0 | 0 | 108 | S722 | L720-S722 PolarHBondContact O-N 3.38Š| ||
| 721 | S | 28.5 | Very low | 29.7 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | -60.1 | 128.8 | 172.7 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | I723 | S721-I723 PolarHBondContact O-N 2.76Š| ||
| 722 | S | 27.2 | Very low | 29.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -8.4 | 97.1 | 160.7 | -22.3 | 0 | 0 | 0 | 0 | 115.7 | L720 | L720-S722 PolarHBondContact O-N 3.38Š| ||
| 723 | I | 28.8 | Very low | 29.7 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | -89.5 | 104.4 | 158.9 | -64.4 | 175.7 | 0 | 0 | 0 | 106.6 | S721 I725 | S721-I723 PolarHBondContact O-N 2.76Å; I723-I725 PolarHBondContact O-N 2.85Å | ||
| 724 | C | 23.9 | Very low | 30.9 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | -61.2 | 122.1 | 174.2 | -68.1 | 0 | 0 | 0 | 0 | 110.2 | S726 | C724-S726 PolarHBondContact O-N 3.48Å; C724-S726 VanDerWaalsContact O-N 3.13Å | ||
| 725 | I | 27.4 | Very low | 32.1 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 86% | 0.862 | 75% | 0.75 | S | S | * | * | trans | -75.1 | 96.2 | 173.9 | -59.9 | 168.5 | 0 | 0 | 0 | 107.6 | I723 | I723-I725 PolarHBondContact O-N 2.85Š| ||
| 726 | S | 26.1 | Very low | 33.8 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | -86.5 | 116.7 | 164.7 | 61.7 | 0 | 0 | 0 | 0 | 109.3 | C724 S728 | C724-S726 PolarHBondContact O-N 3.48Å; C724-S726 VanDerWaalsContact O-N 3.13Å; S726-S728 PolarHBondContact O-N 3.17Å | ||
| 727 | S | 27.4 | Very low | 35.8 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | trans | -68.7 | 103.1 | 174.8 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 728 | S | 26.3 | Very low | 38.1 | Very low | 93 Ų | 93 | 119.7 Ų | 119.7 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | trans | -149 | 133.5 | 158.7 | -166 | 0 | 0 | 0 | 0 | 109.9 | S726 D730 | S726-S728 PolarHBondContact O-N 3.17Å; S728-D730 VanDerWaalsContact C-N 3.31Å; S728-D730 PolarHBondContact O-N 2.9Å; S728-D730 VanDerWaalsContact O-N 3.08Å | ||
| 729 | P | 35.8 | Very low | 40.4 | Very low | 122 Ų | 122 | 120 Ų | 120 | 79% | 0.792 | 66% | 0.664 | S | S | * | * | trans | -89.6 | 61.6 | -170.3 | 38.4 | -34.3 | 0 | 0 | 0 | 111.4 | ||||
| 730 | D | 29.3 | Very low | 43.1 | Very low | 146 Ų | 146 | 116.2 Ų | 116.2 | 78% | 0.781 | 63% | 0.633 | S | S | * | * | trans | -112.6 | 82.3 | 161.4 | -85.6 | -35.6 | 0 | 0 | 0 | 107.6 | S728 K732 | S728-D730 VanDerWaalsContact C-N 3.31Å; S728-D730 PolarHBondContact O-N 2.9Å; S728-D730 VanDerWaalsContact O-N 3.08Å; D730-K732 VanDerWaalsContact C-N 3.3Å; D730-K732 PolarHBondContact O-N 3.44Å | ||
| 731 | R | 37.7 | Very low | 46 | Very low | 230 Ų | 230 | 110.9 Ų | 110.9 | 87% | 0.868 | 60% | 0.601 | S | S | * | * | trans | -63.7 | 89.2 | 177.2 | -76.1 | -176.2 | 175.5 | -173.4 | -0.2 | 109.1 | L733 | R731-L733 PolarHBondContact O-N 2.73Å; R731-L733 VanDerWaalsContact O-N 3.07Å | ||
| 732 | K | 35.2 | Very low | 48.9 | Very low | 194 Ų | 194 | 110.1 Ų | 110.1 | 84% | 0.843 | 59% | 0.592 | S | S | * | * | trans | -56.1 | 114 | 161.4 | -74.5 | -177.9 | 177.4 | 178.5 | 0 | 107.6 | D730 T734 | D730-K732 VanDerWaalsContact C-N 3.3Å; D730-K732 PolarHBondContact O-N 3.44Å; K732-T734 PolarHBondContact O-N 3.47Å | ||
| 733 | L | 41.5 | Very low | 51.8 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 55% | 0.55 | 56% | 0.562 | S | S | . | * | trans | -54.3 | 126.3 | 175.1 | -125.6 | 79.1 | 0 | 0 | 0 | 108.8 | R731 N737 V738 | R731-L733 PolarHBondContact O-N 2.73Å; R731-L733 VanDerWaalsContact O-N 3.07Å; L733-N737 HydrophobicContact CD2-CB 4.08Å; L733-N737 HydrophobicContact CG-CB 3.88Å; L733-V738 HydrophobicContact CB-CG2 4.22Å; L733-V738 HydrophobicContact CD2-CG2 3.92Å | ||
| 734 | T | 56.5 | Low | 54.8 | Low | 71 Ų | 71 | 98.6 Ų | 98.6 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | trans | -64.4 | 153 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | K732 N736 N737 V738 | K732-T734 PolarHBondContact O-N 3.47Å; T734-N736 PolarHBondContact O-N 3.12Å; T734-N737 WeakPolarHBondContact O-CB 3.18Å; T734-N737 PolarHBondContact O-N 2.91Å; T734-N737 VanDerWaalsContact OG1-CG 3.27Å; T734-N737 PolarHBondContact OG1-ND2 3.48Å; T734-V738 PolarHBondContact O-N 2.88Å | ||
| 735 | R | 53.4 | Low | 58.1 | Low | 142 Ų | 142 | 97.4 Ų | 97.4 | 54% | 0.536 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -53.9 | -37.1 | -179.7 | -166.2 | 179.7 | -177.9 | -170.3 | -0.1 | 111.9 | V738 R739 D945 D947 | R735-V738 PolarHBondContact O-N 2.93Å; R735-R739 PolarHBondContact O-N 2.98Å; R735-D945 IonicContact CZ-OD1 3.44Å; R735-D945 IonicContact NH1-OD1 2.69Å; R735-D945 PolarHBondContact NH1-OD1 3.16Å; R735-D947 IonicContact NH2-OD1 2.75Å |
| 736 | N | 63 | Low | 61.2 | Low | 37 Ų | 37 | 92.6 Ų | 92.6 | 20% | 0.198 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 175.7 | -72.4 | -2.8 | 0 | 0 | 0 | 113.2 | T734 V738 R739 Q740 D941 | T734-N736 PolarHBondContact O-N 3.12Å; N736-V738 PolarHBondContact O-N 2.87Å; N736-R739 PolarHBondContact O-N 3.28Å; N736-R739 VanDerWaalsContact O-N 3.13Å; N736-Q740 PolarHBondContact O-N 3.34Å; N736-D941 PolarHBondContact ND2-OD1 3.03Å; N736-D941 VanDerWaalsContact ND2-OD1 3.13Å |
| 737 | N | 70.7 | Confident | 64.3 | Low | 42 Ų | 42 | 87.5 Ų | 87.5 | 23% | 0.225 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 176.8 | -76.9 | -13.4 | 0 | 0 | 0 | 111 | L733 T734 R739 Q740 Y741 | L733-N737 HydrophobicContact CD2-CB 4.08Å; L733-N737 HydrophobicContact CG-CB 3.88Å; T734-N737 WeakPolarHBondContact O-CB 3.18Å; T734-N737 PolarHBondContact O-N 2.91Å; T734-N737 VanDerWaalsContact OG1-CG 3.27Å; T734-N737 PolarHBondContact OG1-ND2 3.48Å; N737-R739 PolarHBondContact O-N 3.31Å; N737-Q740 PolarHBondContact O-N 3.49Å; N737-Y741 VanDerWaalsContact O-CD2 3.31Å; N737-Y741 WeakPolarHBondContact O-CD2 3.44Å; N737-Y741 PolarHBondContact O-N 3.3Å |
| 738 | V | 76.5 | Confident | 67.4 | Low | 74 Ų | 74 | 82.3 Ų | 82.3 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | L733 T734 R735 N736 Y741 T742 | L733-V738 HydrophobicContact CB-CG2 4.22Å; L733-V738 HydrophobicContact CD2-CG2 3.92Å; T734-V738 PolarHBondContact O-N 2.88Å; R735-V738 PolarHBondContact O-N 2.93Å; N736-V738 PolarHBondContact O-N 2.87Å; V738-Y741 PolarHBondContact O-N 3.08Å; V738-T742 PolarHBondContact O-N 3.45Å; V738-T742 PolarHBondContact O-OG1 3.17Å |
| 739 | R | 77.3 | Confident | 70.5 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.8 | -73.9 | -177.2 | 172.9 | 178.8 | -1.9 | 111.8 | R735 N736 N737 T742 L743 D947 | R735-R739 PolarHBondContact O-N 2.98Å; N736-R739 PolarHBondContact O-N 3.28Å; N736-R739 VanDerWaalsContact O-N 3.13Å; N737-R739 PolarHBondContact O-N 3.31Å; R739-T742 WeakPolarHBondContact O-CB 3.4Å; R739-T742 PolarHBondContact O-N 2.6Å; R739-L743 PolarHBondContact O-N 3.21Å; R739-L743 VanDerWaalsContact O-N 3.08Å; R739-D947 IonicContact NH2-OD1 2.87Å |
| 740 | Q | 85.4 | Confident | 73 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 15% | 0.15 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 178.1 | -71.7 | 178.5 | -1.1 | 0 | 0 | 112.8 | Y693 N736 N737 T742 L743 L744 L789 | Y693-Q740 PolarHBondContact OH-OE1 3.26Å; Y693-Q740 VanDerWaalsContact OH-OE1 3.09Å; N736-Q740 PolarHBondContact O-N 3.34Å; N737-Q740 PolarHBondContact O-N 3.49Å; Q740-T742 VanDerWaalsContact C-N 3.28Å; Q740-T742 PolarHBondContact O-N 3.15Å; Q740-L743 WeakPolarHBondContact O-CB 3.29Å; Q740-L743 PolarHBondContact O-N 3.35Å; Q740-L744 PolarHBondContact O-N 3.13Å; Q740-L789 HydrophobicContact CB-CD2 4.13Å; Q740-L789 HydrophobicContact CG-CD2 4.47Å; Q740-L789 WeakPolarHBondContact O-CD2 3.31Å |
| 741 | Y | 89.1 | Confident | 75.9 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.9 | -28 | 176.7 | -86.1 | -80.4 | 0 | 0 | 0 | 112.6 | D694 N737 V738 L744 N745 | D694-Y741 VanDerWaalsContact OD1-CE1 3.3Å; D694-Y741 WeakPolarHBondContact OD1-CE1 3.44Å; D694-Y741 PolarHBondContact OD1-OH 2.77Å; N737-Y741 VanDerWaalsContact O-CD2 3.31Å; N737-Y741 WeakPolarHBondContact O-CD2 3.44Å; N737-Y741 PolarHBondContact O-N 3.3Å; V738-Y741 PolarHBondContact O-N 3.08Å; Y741-L744 HydrophobicContact CD1-CD2 3.91Å; Y741-L744 HydrophobicContact CE1-CD2 3.98Å; Y741-L744 PolarHBondContact O-N 2.91Å; Y741-N745 WeakPolarHBondContact O-CB 3.34Å; Y741-N745 PolarHBondContact O-N 3.42Å; Y741-N745 PolarHBondContact O-ND2 2.97Å |
| 742 | T | 88.9 | Confident | 78.3 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 172 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | V738 R739 Q740 N745 E746 | V738-T742 PolarHBondContact O-N 3.45Å; V738-T742 PolarHBondContact O-OG1 3.17Å; R739-T742 WeakPolarHBondContact O-CB 3.4Å; R739-T742 PolarHBondContact O-N 2.6Å; Q740-T742 VanDerWaalsContact C-N 3.28Å; Q740-T742 PolarHBondContact O-N 3.15Å; T742-N745 PolarHBondContact O-N 3.03Å; T742-E746 PolarHBondContact O-N 3.48Å |
| 743 | L | 87.5 | Confident | 80.8 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 173.7 | -80.7 | 155.8 | 0 | 0 | 0 | 112.8 | R739 Q740 N745 E746 L747 F785 R788 L789 | R739-L743 PolarHBondContact O-N 3.21Å; R739-L743 VanDerWaalsContact O-N 3.08Å; Q740-L743 WeakPolarHBondContact O-CB 3.29Å; Q740-L743 PolarHBondContact O-N 3.35Å; L743-N745 VanDerWaalsContact C-N 3.34Å; L743-E746 WeakPolarHBondContact O-CB 3.49Å; L743-E746 PolarHBondContact O-N 2.84Å; L743-L747 PolarHBondContact O-N 2.89Å; L743-L747 VanDerWaalsContact O-N 3.14Å; L743-F785 HydrophobicContact CD2-CE1 4.38Å; L743-F785 WeakPolarHBondContact O-CD1 3.44Å; L743-F785 VanDerWaalsContact O-CE1 3.26Å; L743-F785 WeakPolarHBondContact O-CE1 3.34Å; L743-R788 HydrophobicContact CD2-CG 4.17Å; L743-R788 VanDerWaalsContact CD2-NE 3.34Å; L743-L789 HydrophobicContact CB-CD2 3.82Å |
| 744 | L | 92 | Very high | 82.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 174.4 | -177.5 | 67.9 | 0 | 0 | 0 | 110.6 | I689 K690 Y693 Q740 Y741 E746 L747 L748 L789 | I689-L744 HydrophobicContact CG2-CD1 4.46Å; K690-L744 HydrophobicContact CG-CD2 4.36Å; Y693-L744 HydrophobicContact CD1-CD1 4.37Å; Y693-L744 HydrophobicContact CD1-CD2 3.55Å; Y693-L744 HydrophobicContact CD1-CG 4.47Å; Y693-L744 HydrophobicContact CE1-CD2 4.17Å; Y693-L744 HydrophobicContact CG-CD1 4.08Å; Y693-L744 HydrophobicContact CG-CD2 4.05Å; Q740-L744 PolarHBondContact O-N 3.13Å; Y741-L744 HydrophobicContact CD1-CD2 3.91Å; Y741-L744 HydrophobicContact CE1-CD2 3.98Å; Y741-L744 PolarHBondContact O-N 2.91Å; L744-E746 VanDerWaalsContact C-N 3.28Å; L744-E746 PolarHBondContact O-N 3.25Å; L744-L747 HydrophobicContact CD1-CD2 4.5Å; L744-L747 WeakPolarHBondContact O-CB 3.29Å; L744-L747 PolarHBondContact O-N 3.43Å; L744-L748 HydrophobicContact CG-CD1 4.21Å; L744-L748 HydrophobicContact CG-CG 4.34Å; L744-L748 VanDerWaalsContact O-CG 3.26Å; L744-L748 WeakPolarHBondContact O-CG 3.38Å; L744-L748 PolarHBondContact O-N 2.97Å; L744-L789 HydrophobicContact CB-CD1 4.44Å; L744-L789 HydrophobicContact CD1-CD1 4.18Å |
| 745 | N | 92.7 | Very high | 84.1 | Confident | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -34.4 | 179.1 | -71.7 | -30.8 | 0 | 0 | 0 | 112.5 | Y741 T742 L743 L748 S749 | Y741-N745 WeakPolarHBondContact O-CB 3.34Å; Y741-N745 PolarHBondContact O-N 3.42Å; Y741-N745 PolarHBondContact O-ND2 2.97Å; T742-N745 PolarHBondContact O-N 3.03Å; L743-N745 VanDerWaalsContact C-N 3.34Å; N745-L748 PolarHBondContact O-N 3.35Å; N745-S749 WeakPolarHBondContact O-CB 3.46Å; N745-S749 PolarHBondContact O-N 3.01Å |
| 746 | E | 92.2 | Very high | 85.5 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 32% | 0.318 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 171.8 | -172.4 | -171.1 | 164.9 | 0 | 0 | 111.2 | T742 L743 L744 L748 S749 I750 F785 | T742-E746 PolarHBondContact O-N 3.48Å; L743-E746 WeakPolarHBondContact O-CB 3.49Å; L743-E746 PolarHBondContact O-N 2.84Å; L744-E746 VanDerWaalsContact C-N 3.28Å; L744-E746 PolarHBondContact O-N 3.25Å; E746-L748 PolarHBondContact O-N 3.24Å; E746-S749 WeakPolarHBondContact O-CB 3.31Å; E746-S749 PolarHBondContact O-N 3.22Å; E746-I750 HydrophobicContact CG-CD1 4.32Å; E746-I750 WeakPolarHBondContact O-CG1 3.37Å; E746-I750 PolarHBondContact O-N 3.32Å; E746-F785 HydrophobicContact CB-CE1 4Å; E746-F785 HydrophobicContact CB-CZ 4.25Å; E746-F785 HydrophobicContact CG-CE1 4.11Å; E746-F785 HydrophobicContact CG-CZ 3.88Å |
| 747 | L | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.2 | -48.9 | 173.7 | 172 | 65 | 0 | 0 | 0 | 111.6 | I689 L743 L744 S749 I750 I751 L782 F785 | I689-L747 HydrophobicContact CG2-CD2 3.99Å; L743-L747 PolarHBondContact O-N 2.89Å; L743-L747 VanDerWaalsContact O-N 3.14Å; L744-L747 HydrophobicContact CD1-CD2 4.5Å; L744-L747 WeakPolarHBondContact O-CB 3.29Å; L744-L747 PolarHBondContact O-N 3.43Å; L747-S749 VanDerWaalsContact C-N 3.27Å; L747-S749 PolarHBondContact O-N 3.44Å; L747-I750 PolarHBondContact O-N 3.27Å; L747-I751 HydrophobicContact CD1-CD1 4.37Å; L747-I751 HydrophobicContact CD1-CG1 3.94Å; L747-I751 HydrophobicContact CG-CG1 4.32Å; L747-I751 WeakPolarHBondContact O-CG1 3.22Å; L747-I751 PolarHBondContact O-N 3.01Å; L747-L782 HydrophobicContact CD2-CD2 4.22Å; L747-F785 HydrophobicContact CB-CB 4.14Å; L747-F785 HydrophobicContact CB-CD1 3.63Å; L747-F785 HydrophobicContact CB-CD2 4.18Å; L747-F785 HydrophobicContact CB-CE1 3.99Å; L747-F785 HydrophobicContact CB-CE2 4.49Å; L747-F785 HydrophobicContact CB-CG 3.72Å; L747-F785 HydrophobicContact CB-CZ 4.4Å; L747-F785 HydrophobicContact CD1-CB 4.02Å; L747-F785 HydrophobicContact CD1-CD2 3.84Å; L747-F785 HydrophobicContact CD1-CE2 4.49Å; L747-F785 HydrophobicContact CD1-CG 3.95Å; L747-F785 HydrophobicContact CD2-CB 3.82Å; L747-F785 HydrophobicContact CD2-CG 4.33Å; L747-F785 HydrophobicContact CG-CB 4.2Å; L747-F785 HydrophobicContact CG-CG 4.2Å |
| 748 | L | 92.6 | Very high | 86.6 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -38.5 | -178.3 | -67.2 | -178.4 | 0 | 0 | 0 | 111.6 | V686 I689 K690 L744 N745 E746 K752 | V686-L748 HydrophobicContact CG1-CB 4.05Å; V686-L748 HydrophobicContact CG1-CD1 4.19Å; V686-L748 HydrophobicContact CG1-CD2 4.05Å; V686-L748 HydrophobicContact CG1-CG 4.29Å; V686-L748 WeakPolarHBondContact O-CD2 3.36Å; I689-L748 HydrophobicContact CB-CD2 3.75Å; I689-L748 HydrophobicContact CG2-CD2 3.63Å; K690-L748 HydrophobicContact CB-CD1 4.02Å; K690-L748 HydrophobicContact CD-CD1 4.37Å; K690-L748 HydrophobicContact CG-CD1 4.39Å; L744-L748 HydrophobicContact CG-CD1 4.21Å; L744-L748 HydrophobicContact CG-CG 4.34Å; L744-L748 VanDerWaalsContact O-CG 3.26Å; L744-L748 WeakPolarHBondContact O-CG 3.38Å; L744-L748 PolarHBondContact O-N 2.97Å; N745-L748 PolarHBondContact O-N 3.35Å; E746-L748 PolarHBondContact O-N 3.24Å; L748-K752 WeakPolarHBondContact O-CB 3.28Å; L748-K752 PolarHBondContact O-N 3.49Å |
| 749 | S | 91.4 | Very high | 86.5 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 49% | 0.49 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 174 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | N745 E746 L747 I751 K752 T753 | N745-S749 WeakPolarHBondContact O-CB 3.46Å; N745-S749 PolarHBondContact O-N 3.01Å; E746-S749 WeakPolarHBondContact O-CB 3.31Å; E746-S749 PolarHBondContact O-N 3.22Å; L747-S749 VanDerWaalsContact C-N 3.27Å; L747-S749 PolarHBondContact O-N 3.44Å; S749-I751 PolarHBondContact O-N 3.14Å; S749-K752 WeakPolarHBondContact O-CB 3.49Å; S749-K752 PolarHBondContact O-N 3.08Å; S749-T753 PolarHBondContact O-N 3.44Å; S749-T753 PolarHBondContact O-OG1 3.48Å; S749-T753 VanDerWaalsContact O-OG1 3.12Å |
| 750 | I | 89.5 | Confident | 86.1 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 177.9 | -67.4 | 165 | 0 | 0 | 0 | 111.2 | E746 L747 K752 T753 L754 Y781 F785 | E746-I750 HydrophobicContact CG-CD1 4.32Å; E746-I750 WeakPolarHBondContact O-CG1 3.37Å; E746-I750 PolarHBondContact O-N 3.32Å; L747-I750 PolarHBondContact O-N 3.27Å; I750-K752 VanDerWaalsContact C-N 3.31Å; I750-K752 PolarHBondContact O-N 3.25Å; I750-T753 PolarHBondContact O-N 3.37Å; I750-L754 HydrophobicContact CG2-CD1 4.04Å; I750-L754 HydrophobicContact CG2-CG 4.4Å; I750-L754 WeakPolarHBondContact O-CG 3.4Å; I750-L754 PolarHBondContact O-N 2.8Å; I750-Y781 HydrophobicContact CD1-CD1 4.17Å; I750-Y781 HydrophobicContact CD1-CE1 3.92Å; I750-Y781 HydrophobicContact CG2-CD1 4.12Å; I750-Y781 HydrophobicContact CG2-CD2 3.81Å; I750-Y781 HydrophobicContact CG2-CE1 4.08Å; I750-Y781 HydrophobicContact CG2-CE2 3.77Å; I750-Y781 HydrophobicContact CG2-CG 4Å; I750-F785 HydrophobicContact CD1-CE2 3.86Å; I750-F785 HydrophobicContact CD1-CZ 3.91Å |
| 751 | I | 89.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 178.6 | -66.4 | -67.3 | 0 | 0 | 0 | 110.8 | L673 V686 I689 L747 S749 L754 Y755 A778 | L673-I751 HydrophobicContact CD2-CG2 4.12Å; V686-I751 HydrophobicContact CG2-CG2 4.47Å; I689-I751 HydrophobicContact CD1-CB 4.32Å; I689-I751 HydrophobicContact CD1-CD1 4.36Å; I689-I751 HydrophobicContact CD1-CG1 3.85Å; I689-I751 HydrophobicContact CD1-CG2 3.93Å; L747-I751 HydrophobicContact CD1-CD1 4.37Å; L747-I751 HydrophobicContact CD1-CG1 3.94Å; L747-I751 HydrophobicContact CG-CG1 4.32Å; L747-I751 WeakPolarHBondContact O-CG1 3.22Å; L747-I751 PolarHBondContact O-N 3.01Å; S749-I751 PolarHBondContact O-N 3.14Å; I751-L754 PolarHBondContact O-N 3.07Å; I751-Y755 WeakPolarHBondContact O-CB 3.35Å; I751-Y755 PolarHBondContact O-N 3.15Å; I751-A778 HydrophobicContact CD1-CB 3.84Å |
| 752 | K | 88.7 | Confident | 83.8 | Confident | 108 Ų | 108 | 50.4 Ų | 50.4 | 47% | 0.47 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 174.5 | -169.3 | 177.4 | -177.7 | 178.6 | 0 | 111.4 | S682 V686 L748 S749 I750 Y755 E756 | S682-K752 WeakPolarHBondContact OG-CE 3.2Å; V686-K752 HydrophobicContact CG2-CB 4.1Å; L748-K752 WeakPolarHBondContact O-CB 3.28Å; L748-K752 PolarHBondContact O-N 3.49Å; S749-K752 WeakPolarHBondContact O-CB 3.49Å; S749-K752 PolarHBondContact O-N 3.08Å; I750-K752 VanDerWaalsContact C-N 3.31Å; I750-K752 PolarHBondContact O-N 3.25Å; K752-Y755 PolarHBondContact O-N 3.43Å; K752-E756 WeakPolarHBondContact O-CG 3.34Å; K752-E756 PolarHBondContact O-N 3.09Å |
| 753 | T | 88.2 | Confident | 82.3 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 43% | 0.429 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | S749 I750 Y755 E756 K757 | S749-T753 PolarHBondContact O-N 3.44Å; S749-T753 PolarHBondContact O-OG1 3.48Å; S749-T753 VanDerWaalsContact O-OG1 3.12Å; I750-T753 PolarHBondContact O-N 3.37Å; T753-Y755 VanDerWaalsContact C-N 3.33Å; T753-E756 PolarHBondContact O-N 2.94Å; T753-K757 WeakPolarHBondContact O-CG 3.33Å; T753-K757 PolarHBondContact O-N 3.31Å |
| 754 | L | 85.7 | Confident | 80.6 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176 | -71.7 | 172.9 | 0 | 0 | 0 | 111.2 | L673 I750 I751 K757 T758 I777 A778 Y781 | L673-L754 HydrophobicContact CD1-CB 4.28Å; L673-L754 HydrophobicContact CD2-CB 4.42Å; I750-L754 HydrophobicContact CG2-CD1 4.04Å; I750-L754 HydrophobicContact CG2-CG 4.4Å; I750-L754 WeakPolarHBondContact O-CG 3.4Å; I750-L754 PolarHBondContact O-N 2.8Å; I751-L754 PolarHBondContact O-N 3.07Å; L754-K757 WeakPolarHBondContact O-CB 3.44Å; L754-K757 PolarHBondContact O-N 3.13Å; L754-T758 PolarHBondContact O-N 2.98Å; L754-T758 PolarHBondContact O-OG1 2.85Å; L754-I777 HydrophobicContact CD1-CG2 3.97Å; L754-I777 HydrophobicContact CD2-CG2 4.04Å; L754-A778 HydrophobicContact CD1-CB 4.01Å; L754-Y781 HydrophobicContact CD1-CD2 4Å; L754-Y781 HydrophobicContact CD1-CE2 4.29Å |
| 755 | Y | 81.8 | Confident | 78.9 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.8 | -178.4 | -91.1 | 0 | 0 | 0 | 112.6 | P674 I751 K752 T753 K757 T758 K759 | P674-Y755 HydrophobicContact CB-CE2 4.05Å; P674-Y755 HydrophobicContact CG-CD2 4.23Å; P674-Y755 HydrophobicContact CG-CE2 3.81Å; I751-Y755 WeakPolarHBondContact O-CB 3.35Å; I751-Y755 PolarHBondContact O-N 3.15Å; K752-Y755 PolarHBondContact O-N 3.43Å; T753-Y755 VanDerWaalsContact C-N 3.33Å; Y755-K757 VanDerWaalsContact C-N 3.29Å; Y755-K757 PolarHBondContact O-N 3.27Å; Y755-T758 WeakPolarHBondContact O-CB 3.32Å; Y755-T758 PolarHBondContact O-N 3.08Å; Y755-T758 VanDerWaalsContact O-N 3.16Å; Y755-K759 HydrophobicContact CE1-CD 4.17Å; Y755-K759 WeakPolarHBondContact O-CB 3.31Å; Y755-K759 PolarHBondContact O-N 3.37Å |
| 756 | E | 82.4 | Confident | 76.9 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 177.8 | -67.8 | -56.2 | 151.6 | 0 | 0 | 111.8 | S682 K752 T753 K759 S760 | S682-E756 WeakPolarHBondContact CB-OE1 3.49Å; S682-E756 PolarHBondContact OG-OE1 3.45Å; K752-E756 WeakPolarHBondContact O-CG 3.34Å; K752-E756 PolarHBondContact O-N 3.09Å; T753-E756 PolarHBondContact O-N 2.94Å; E756-K759 PolarHBondContact O-N 3.45Å; E756-S760 WeakPolarHBondContact O-CB 3.3Å; E756-S760 PolarHBondContact O-N 3.44Å; E756-S760 PolarHBondContact O-OG 3.12Å |
| 757 | K | 78.8 | Confident | 75.1 | Confident | 119 Ų | 119 | 68.8 Ų | 68.8 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 169.7 | -74.4 | 177.6 | 178.9 | -178.9 | 0 | 111.1 | T753 L754 Y755 K759 S760 S761 | T753-K757 WeakPolarHBondContact O-CG 3.33Å; T753-K757 PolarHBondContact O-N 3.31Å; L754-K757 WeakPolarHBondContact O-CB 3.44Å; L754-K757 PolarHBondContact O-N 3.13Å; Y755-K757 VanDerWaalsContact C-N 3.29Å; Y755-K757 PolarHBondContact O-N 3.27Å; K757-K759 VanDerWaalsContact C-N 3.33Å; K757-K759 PolarHBondContact O-N 2.82Å; K757-S760 PolarHBondContact O-N 3.46Å; K757-S760 PolarHBondContact O-OG 3.47Å; K757-S761 PolarHBondContact O-N 2.83Å |
| 758 | T | 76.9 | Confident | 73.7 | Confident | 13 Ų | 13 | 72 Ų | 72 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.5 | -46 | 176.1 | -52.6 | 0 | 0 | 0 | 0 | 112 | L754 Y755 S761 V762 R771 E774 | L754-T758 PolarHBondContact O-N 2.98Å; L754-T758 PolarHBondContact O-OG1 2.85Å; Y755-T758 WeakPolarHBondContact O-CB 3.32Å; Y755-T758 PolarHBondContact O-N 3.08Å; Y755-T758 VanDerWaalsContact O-N 3.16Å; T758-S761 PolarHBondContact O-N 2.97Å; T758-V762 VanDerWaalsContact O-CG2 3.29Å; T758-V762 WeakPolarHBondContact O-CG2 3.3Å; T758-V762 PolarHBondContact O-N 3.21Å; T758-R771 HydrophobicContact CG2-CG 3.98Å; T758-E774 WeakPolarHBondContact CA-OE2 3.46Å; T758-E774 WeakPolarHBondContact CB-OE2 3.15Å; T758-E774 WeakPolarHBondContact CG2-OE2 3.39Å; T758-E774 PolarHBondContact N-OE1 3.34Å; T758-E774 PolarHBondContact OG1-OE2 3.1Å |
| 759 | K | 74.1 | Confident | 72.3 | Confident | 102 Ų | 102 | 78.7 Ų | 78.7 | 44% | 0.443 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 179.9 | -172.6 | -179.2 | -179.3 | -178.1 | 0 | 112 | Y755 E756 K757 S761 V762 | Y755-K759 HydrophobicContact CE1-CD 4.17Å; Y755-K759 WeakPolarHBondContact O-CB 3.31Å; Y755-K759 PolarHBondContact O-N 3.37Å; E756-K759 PolarHBondContact O-N 3.45Å; K757-K759 VanDerWaalsContact C-N 3.33Å; K757-K759 PolarHBondContact O-N 2.82Å; K759-S761 VanDerWaalsContact C-N 3.31Å; K759-S761 PolarHBondContact O-N 3.05Å; K759-V762 WeakPolarHBondContact O-CB 3.47Å; K759-V762 PolarHBondContact O-N 3.48Å |
| 760 | S | 70.2 | Confident | 71.2 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 52% | 0.517 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.7 | -34.5 | 177.5 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | E756 K757 V762 K763 | E756-S760 WeakPolarHBondContact O-CB 3.3Å; E756-S760 PolarHBondContact O-N 3.44Å; E756-S760 PolarHBondContact O-OG 3.12Å; K757-S760 PolarHBondContact O-N 3.46Å; K757-S760 PolarHBondContact O-OG 3.47Å; S760-V762 VanDerWaalsContact C-N 3.25Å; S760-V762 PolarHBondContact O-N 3.49Å; S760-K763 PolarHBondContact O-N 3Å |
| 761 | S | 65.5 | Low | 70.4 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.7 | -23.6 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 113.2 | K757 T758 K759 K763 N764 | K757-S761 PolarHBondContact O-N 2.83Å; T758-S761 PolarHBondContact O-N 2.97Å; K759-S761 VanDerWaalsContact C-N 3.31Å; K759-S761 PolarHBondContact O-N 3.05Å; S761-K763 VanDerWaalsContact C-N 3.3Å; S761-K763 PolarHBondContact O-N 3.42Å; S761-N764 PolarHBondContact O-N 3Å |
| 762 | V | 59.3 | Low | 69.8 | Low | 49 Ų | 49 | 83.9 Ų | 83.9 | 30% | 0.297 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.5 | -30.2 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | T758 K759 S760 N764 | T758-V762 VanDerWaalsContact O-CG2 3.29Å; T758-V762 WeakPolarHBondContact O-CG2 3.3Å; T758-V762 PolarHBondContact O-N 3.21Å; K759-V762 WeakPolarHBondContact O-CB 3.47Å; K759-V762 PolarHBondContact O-N 3.48Å; S760-V762 VanDerWaalsContact C-N 3.25Å; S760-V762 PolarHBondContact O-N 3.49Å; V762-N764 PolarHBondContact O-N 2.92Å; V762-N764 VanDerWaalsContact O-N 3.13Å |
| 763 | K | 57.8 | Low | 69.5 | Low | 187 Ų | 187 | 83.7 Ų | 83.7 | 81% | 0.813 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17 | 178.9 | -69.6 | -172.3 | 177.1 | -177.6 | 0 | 113.3 | S760 S761 | S760-K763 PolarHBondContact O-N 3Å; S761-K763 VanDerWaalsContact C-N 3.3Å; S761-K763 PolarHBondContact O-N 3.42Å |
| 764 | N | 52.9 | Low | 69.3 | Low | 120 Ų | 120 | 81.3 Ų | 81.3 | 64% | 0.642 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -122 | 61.7 | -172.5 | -65.3 | -19.4 | 0 | 0 | 0 | 112.8 | S761 V762 | S761-N764 PolarHBondContact O-N 3Å; V762-N764 PolarHBondContact O-N 2.92Å; V762-N764 VanDerWaalsContact O-N 3.13Å |
| 765 | G | 55 | Low | 69.3 | Low | 47 Ų | 47 | 81.8 Ų | 81.8 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 72.8 | -177.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | R767 | G765-R767 PolarHBondContact O-N 3.21Š|
| 766 | P | 51.3 | Low | 69.6 | Low | 141 Ų | 141 | 86.5 Ų | 86.5 | 92% | 0.916 | 45% | 0.448 | S | S | * | . | trans | -82 | 83.2 | -158.9 | 33.4 | -33.8 | 0 | 0 | 0 | 111.6 | ||||
| 767 | R | 55.6 | Low | 69.9 | Low | 164 Ų | 164 | 86 Ų | 86 | 62% | 0.619 | 45% | 0.447 | S | S | * | . | trans | -105.9 | 59.3 | 173.3 | -70.1 | -175.2 | 178.7 | 170 | 0.5 | 112.3 | G765 H769 S770 | G765-R767 PolarHBondContact O-N 3.21Å; R767-H769 PolarHBondContact O-N 3.38Å; R767-H769 VanDerWaalsContact O-N 3.13Å; R767-S770 WeakPolarHBondContact O-CB 3.43Å; R767-S770 PolarHBondContact O-N 2.92Å | ||
| 768 | A | 60.5 | Low | 70.5 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 55% | 0.554 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -52.5 | -33.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S770 R771 I772 | A768-S770 PolarHBondContact O-N 3.27Å; A768-R771 PolarHBondContact O-N 3.49Å; A768-I772 WeakPolarHBondContact O-CG1 3.25Å; A768-I772 PolarHBondContact O-N 3.13Å |
| 769 | H | 63.8 | Low | 71.2 | Confident | 153 Ų | 153 | 79.7 Ų | 79.7 | 71% | 0.708 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.4 | -35.5 | 175.6 | -79 | 30.3 | 0 | 0 | 0 | 113.8 | R767 R771 I772 I773 | R767-H769 PolarHBondContact O-N 3.38Å; R767-H769 VanDerWaalsContact O-N 3.13Å; H769-R771 VanDerWaalsContact C-N 3.34Å; H769-R771 PolarHBondContact O-N 3.44Å; H769-I772 PolarHBondContact O-N 2.9Å; H769-I773 WeakPolarHBondContact O-CG1 3.31Å; H769-I773 PolarHBondContact O-N 2.84Å |
| 770 | S | 67.1 | Low | 72.1 | Confident | 33 Ų | 33 | 76.5 Ų | 76.5 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 179.4 | -164.7 | 0 | 0 | 0 | 0 | 111.1 | R767 A768 I772 I773 E774 | R767-S770 WeakPolarHBondContact O-CB 3.43Å; R767-S770 PolarHBondContact O-N 2.92Å; A768-S770 PolarHBondContact O-N 3.27Å; S770-I772 VanDerWaalsContact C-N 3.33Å; S770-I772 PolarHBondContact O-N 3.08Å; S770-I773 PolarHBondContact O-N 2.89Å; S770-E774 WeakPolarHBondContact O-CG 3.38Å; S770-E774 PolarHBondContact O-N 2.94Å |
| 771 | R | 72.4 | Confident | 73.2 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.9 | -60.8 | -167.8 | -179.8 | 170.7 | 3.3 | 112.1 | L675 T758 A768 H769 I773 E774 Q775 | L675-R771 PolarHBondContact O-NH1 2.82Å; T758-R771 HydrophobicContact CG2-CG 3.98Å; A768-R771 PolarHBondContact O-N 3.49Å; H769-R771 VanDerWaalsContact C-N 3.34Å; H769-R771 PolarHBondContact O-N 3.44Å; R771-I773 VanDerWaalsContact C-N 3.32Å; R771-I773 PolarHBondContact O-N 2.8Å; R771-E774 PolarHBondContact O-N 2.99Å; R771-Q775 WeakPolarHBondContact O-CB 2.92Å; R771-Q775 PolarHBondContact O-N 2.92Å |
| 772 | I | 78.3 | Confident | 74.6 | Confident | 107 Ų | 107 | 73.8 Ų | 73.8 | 55% | 0.549 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 178.6 | -64.2 | 167.1 | 0 | 0 | 0 | 110.9 | A768 H769 S770 K776 | A768-I772 WeakPolarHBondContact O-CG1 3.25Å; A768-I772 PolarHBondContact O-N 3.13Å; H769-I772 PolarHBondContact O-N 2.9Å; S770-I772 VanDerWaalsContact C-N 3.33Å; S770-I772 PolarHBondContact O-N 3.08Å; I772-K776 WeakPolarHBondContact O-CB 3.47Å; I772-K776 PolarHBondContact O-N 3.23Å; I772-K776 VanDerWaalsContact O-N 3.09Å |
| 773 | I | 82.5 | Confident | 76.3 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.7 | -50.6 | 177.8 | -66.9 | 166.1 | 0 | 0 | 0 | 110.4 | H769 S770 R771 Q775 K776 I777 | H769-I773 WeakPolarHBondContact O-CG1 3.31Å; H769-I773 PolarHBondContact O-N 2.84Å; S770-I773 PolarHBondContact O-N 2.89Å; R771-I773 VanDerWaalsContact C-N 3.32Å; R771-I773 PolarHBondContact O-N 2.8Å; I773-Q775 VanDerWaalsContact C-N 3.3Å; I773-Q775 PolarHBondContact O-N 3.48Å; I773-K776 PolarHBondContact O-N 3.09Å; I773-K776 VanDerWaalsContact O-N 3.16Å; I773-I777 HydrophobicContact CG2-CD1 3.73Å; I773-I777 HydrophobicContact CG2-CG1 4.41Å; I773-I777 VanDerWaalsContact O-CG1 3.29Å; I773-I777 WeakPolarHBondContact O-CG1 3.41Å; I773-I777 PolarHBondContact O-N 3.05Å |
| 774 | E | 83.8 | Confident | 78 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.8 | -69.8 | 164.9 | 159.8 | 0 | 0 | 111.9 | L673 T758 S770 R771 K776 I777 A778 | L673-E774 HydrophobicContact CD1-CB 3.98Å; T758-E774 WeakPolarHBondContact CA-OE2 3.46Å; T758-E774 WeakPolarHBondContact CB-OE2 3.15Å; T758-E774 WeakPolarHBondContact CG2-OE2 3.39Å; T758-E774 PolarHBondContact N-OE1 3.34Å; T758-E774 PolarHBondContact OG1-OE2 3.1Å; S770-E774 WeakPolarHBondContact O-CG 3.38Å; S770-E774 PolarHBondContact O-N 2.94Å; R771-E774 PolarHBondContact O-N 2.99Å; E774-K776 PolarHBondContact O-N 3.38Å; E774-I777 PolarHBondContact O-N 2.92Å; E774-A778 WeakPolarHBondContact O-CB 3.36Å; E774-A778 PolarHBondContact O-N 3.19Å |
| 775 | Q | 86.2 | Confident | 80 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 174.2 | -179.3 | 56.5 | 45.8 | 0 | 0 | 111.7 | S672 L673 R771 I773 A779 | S672-Q775 PolarHBondContact OG-NE2 2.82Å; L673-Q775 PolarHBondContact O-OE1 3.26Å; R771-Q775 WeakPolarHBondContact O-CB 2.92Å; R771-Q775 PolarHBondContact O-N 2.92Å; I773-Q775 VanDerWaalsContact C-N 3.3Å; I773-Q775 PolarHBondContact O-N 3.48Å; Q775-A779 WeakPolarHBondContact O-CB 3.5Å; Q775-A779 PolarHBondContact O-N 3.16Å |
| 776 | K | 87.3 | Confident | 81.8 | Confident | 121 Ų | 121 | 55.6 Ų | 55.6 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.9 | -36.8 | 177.3 | -172.4 | 175.4 | -177.1 | 179.2 | 0 | 112.4 | I772 I773 E774 A779 N780 | I772-K776 WeakPolarHBondContact O-CB 3.47Å; I772-K776 PolarHBondContact O-N 3.23Å; I772-K776 VanDerWaalsContact O-N 3.09Å; I773-K776 PolarHBondContact O-N 3.09Å; I773-K776 VanDerWaalsContact O-N 3.16Å; E774-K776 PolarHBondContact O-N 3.38Å; K776-A779 WeakPolarHBondContact O-CB 3.35Å; K776-A779 PolarHBondContact O-N 2.6Å; K776-N780 PolarHBondContact O-N 2.8Å; K776-N780 PolarHBondContact O-ND2 2.87Å |
| 777 | I | 89.2 | Confident | 83.9 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -49.7 | 175.3 | -69 | 167.1 | 0 | 0 | 0 | 109.8 | L754 I773 E774 A779 N780 Y781 | L754-I777 HydrophobicContact CD1-CG2 3.97Å; L754-I777 HydrophobicContact CD2-CG2 4.04Å; I773-I777 HydrophobicContact CG2-CD1 3.73Å; I773-I777 HydrophobicContact CG2-CG1 4.41Å; I773-I777 VanDerWaalsContact O-CG1 3.29Å; I773-I777 WeakPolarHBondContact O-CG1 3.41Å; I773-I777 PolarHBondContact O-N 3.05Å; E774-I777 PolarHBondContact O-N 2.92Å; I777-A779 VanDerWaalsContact C-N 3.27Å; I777-A779 PolarHBondContact O-N 3.42Å; I777-N780 PolarHBondContact O-N 2.81Å; I777-N780 VanDerWaalsContact O-N 3.14Å; I777-Y781 HydrophobicContact CG2-CD2 3.74Å; I777-Y781 HydrophobicContact CG2-CE2 3.51Å; I777-Y781 VanDerWaalsContact O-CD2 3.26Å; I777-Y781 WeakPolarHBondContact O-CD2 3.31Å; I777-Y781 PolarHBondContact O-N 2.89Å |
| 778 | A | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.9 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L673 I751 L754 E774 N780 Y781 L782 | L673-A778 HydrophobicContact CD1-CB 3.92Å; L673-A778 HydrophobicContact CD2-CB 4.16Å; L673-A778 HydrophobicContact CG-CB 3.74Å; I751-A778 HydrophobicContact CD1-CB 3.84Å; L754-A778 HydrophobicContact CD1-CB 4.01Å; E774-A778 WeakPolarHBondContact O-CB 3.36Å; E774-A778 PolarHBondContact O-N 3.19Å; A778-N780 PolarHBondContact O-N 2.83Å; A778-Y781 PolarHBondContact O-N 3.19Å; A778-L782 WeakPolarHBondContact O-CG 3.29Å; A778-L782 PolarHBondContact O-N 2.98Å |
| 779 | A | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q775 K776 I777 L782 V783 G798 G801 | Q775-A779 WeakPolarHBondContact O-CB 3.5Å; Q775-A779 PolarHBondContact O-N 3.16Å; K776-A779 WeakPolarHBondContact O-CB 3.35Å; K776-A779 PolarHBondContact O-N 2.6Å; I777-A779 VanDerWaalsContact C-N 3.27Å; I777-A779 PolarHBondContact O-N 3.42Å; A779-L782 PolarHBondContact O-N 3.36Å; A779-V783 WeakPolarHBondContact O-CG2 3.41Å; A779-V783 PolarHBondContact O-N 3.24Å; A779-V783 VanDerWaalsContact O-N 3.09Å; A779-G798 WeakPolarHBondContact CB-O 3.44Å; A779-G798 VanDerWaalsContact O-CA 3.32Å; A779-G798 WeakPolarHBondContact O-CA 3.47Å; A779-G801 WeakPolarHBondContact CB-O 3.32Å |
| 780 | N | 92.8 | Very high | 88.4 | Confident | 35 Ų | 35 | 34.8 Ų | 34.8 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 174.2 | -73 | -29.6 | 0 | 0 | 0 | 112.3 | K776 I777 A778 L782 V783 S784 G803 S804 L809 | K776-N780 PolarHBondContact O-N 2.8Å; K776-N780 PolarHBondContact O-ND2 2.87Å; I777-N780 PolarHBondContact O-N 2.81Å; I777-N780 VanDerWaalsContact O-N 3.14Å; A778-N780 PolarHBondContact O-N 2.83Å; N780-L782 VanDerWaalsContact C-N 3.34Å; N780-L782 PolarHBondContact O-N 3.47Å; N780-V783 PolarHBondContact O-N 2.61Å; N780-S784 WeakPolarHBondContact O-CB 3.34Å; N780-S784 PolarHBondContact O-N 2.76Å; N780-G803 VanDerWaalsContact OD1-CA 3.31Å; N780-G803 WeakPolarHBondContact OD1-CA 3.36Å; N780-S804 PolarHBondContact OD1-N 2.9Å; N780-L809 HydrophobicContact CB-CD2 4.03Å |
| 781 | Y | 93.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 33.2 Ų | 33.2 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 174.1 | -81.8 | -69.1 | 0 | 0 | 0 | 112 | I750 L754 I777 A778 V783 S784 F785 L809 | I750-Y781 HydrophobicContact CD1-CD1 4.17Å; I750-Y781 HydrophobicContact CD1-CE1 3.92Å; I750-Y781 HydrophobicContact CG2-CD1 4.12Å; I750-Y781 HydrophobicContact CG2-CD2 3.81Å; I750-Y781 HydrophobicContact CG2-CE1 4.08Å; I750-Y781 HydrophobicContact CG2-CE2 3.77Å; I750-Y781 HydrophobicContact CG2-CG 4Å; L754-Y781 HydrophobicContact CD1-CD2 4Å; L754-Y781 HydrophobicContact CD1-CE2 4.29Å; I777-Y781 HydrophobicContact CG2-CD2 3.74Å; I777-Y781 HydrophobicContact CG2-CE2 3.51Å; I777-Y781 VanDerWaalsContact O-CD2 3.26Å; I777-Y781 WeakPolarHBondContact O-CD2 3.31Å; I777-Y781 PolarHBondContact O-N 2.89Å; A778-Y781 PolarHBondContact O-N 3.19Å; Y781-V783 PolarHBondContact O-N 3.45Å; Y781-S784 PolarHBondContact O-N 3.5Å; Y781-F785 HydrophobicContact CD1-CD2 4.12Å; Y781-F785 AromaticContact CD1-CE2 3.84Å; Y781-F785 HydrophobicContact CD1-CE2 3.84Å; Y781-F785 HydrophobicContact CE1-CE2 4.41Å; Y781-F785 WeakPolarHBondContact O-CB 3.16Å; Y781-F785 WeakPolarHBondContact O-CD2 3.48Å; Y781-F785 PolarHBondContact O-N 3.08Å; Y781-L809 HydrophobicContact CD1-CD1 3.39Å; Y781-L809 HydrophobicContact CD1-CD2 3.92Å; Y781-L809 HydrophobicContact CD1-CG 4.3Å; Y781-L809 HydrophobicContact CD2-CD2 4.18Å; Y781-L809 HydrophobicContact CE1-CD1 3.54Å; Y781-L809 HydrophobicContact CE1-CD2 3.85Å; Y781-L809 HydrophobicContact CE1-CG 4.22Å; Y781-L809 HydrophobicContact CE2-CD2 4.1Å; Y781-L809 HydrophobicContact CG-CD1 4.2Å; Y781-L809 HydrophobicContact CG-CD2 4.08Å |
| 782 | L | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 175.2 | -73.8 | 171.2 | 0 | 0 | 0 | 112.5 | I689 L747 A778 A779 N780 G786 L794 | I689-L782 HydrophobicContact CD1-CD2 3.95Å; I689-L782 HydrophobicContact CG1-CD2 4.25Å; I689-L782 HydrophobicContact CG2-CD2 4.43Å; L747-L782 HydrophobicContact CD2-CD2 4.22Å; A778-L782 WeakPolarHBondContact O-CG 3.29Å; A778-L782 PolarHBondContact O-N 2.98Å; A779-L782 PolarHBondContact O-N 3.36Å; N780-L782 VanDerWaalsContact C-N 3.34Å; N780-L782 PolarHBondContact O-N 3.47Å; L782-G786 WeakPolarHBondContact O-CA 3.38Å; L782-G786 PolarHBondContact O-N 2.94Å; L782-L794 HydrophobicContact CD2-CD2 4.13Å |
| 783 | V | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -49.3 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | A779 N780 Y781 G786 A787 I795 L799 P821 L837 | A779-V783 WeakPolarHBondContact O-CG2 3.41Å; A779-V783 PolarHBondContact O-N 3.24Å; A779-V783 VanDerWaalsContact O-N 3.09Å; N780-V783 PolarHBondContact O-N 2.61Å; Y781-V783 PolarHBondContact O-N 3.45Å; V783-G786 PolarHBondContact O-N 3.26Å; V783-A787 WeakPolarHBondContact O-CB 3.36Å; V783-A787 PolarHBondContact O-N 3Å; V783-I795 HydrophobicContact CG1-CG2 4.4Å; V783-L799 HydrophobicContact CG2-CD2 4.05Å; V783-L799 HydrophobicContact CG2-CG 4.16Å; V783-P821 HydrophobicContact CG1-CB 3.83Å; V783-P821 HydrophobicContact CG1-CG 3.65Å; V783-L837 HydrophobicContact CG1-CD2 4.09Å |
| 784 | S | 94 | Very high | 92.1 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 8% | 0.077 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.2 | -48.9 | -176 | -171.7 | 0 | 0 | 0 | 0 | 112.7 | N780 Y781 A787 R788 L809 L824 | N780-S784 WeakPolarHBondContact O-CB 3.34Å; N780-S784 PolarHBondContact O-N 2.76Å; Y781-S784 PolarHBondContact O-N 3.5Å; S784-A787 PolarHBondContact O-N 2.73Å; S784-R788 WeakPolarHBondContact O-CB 3.28Å; S784-R788 PolarHBondContact O-N 3.15Å; S784-L809 VanDerWaalsContact CB-CD1 3.42Å; S784-L809 WeakPolarHBondContact OG-CD1 3.27Å; S784-L824 WeakPolarHBondContact OG-CD1 3.4Å |
| 785 | F | 93.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 4% | 0.039 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.6 | -35.5 | 177.2 | -84.9 | -95 | 0 | 0 | 0 | 111.6 | L743 E746 L747 I750 Y781 A787 R788 L789 | L743-F785 HydrophobicContact CD2-CE1 4.38Å; L743-F785 WeakPolarHBondContact O-CD1 3.44Å; L743-F785 VanDerWaalsContact O-CE1 3.26Å; L743-F785 WeakPolarHBondContact O-CE1 3.34Å; E746-F785 HydrophobicContact CB-CE1 4Å; E746-F785 HydrophobicContact CB-CZ 4.25Å; E746-F785 HydrophobicContact CG-CE1 4.11Å; E746-F785 HydrophobicContact CG-CZ 3.88Å; L747-F785 HydrophobicContact CB-CB 4.14Å; L747-F785 HydrophobicContact CB-CD1 3.63Å; L747-F785 HydrophobicContact CB-CD2 4.18Å; L747-F785 HydrophobicContact CB-CE1 3.99Å; L747-F785 HydrophobicContact CB-CE2 4.49Å; L747-F785 HydrophobicContact CB-CG 3.72Å; L747-F785 HydrophobicContact CB-CZ 4.4Å; L747-F785 HydrophobicContact CD1-CB 4.02Å; L747-F785 HydrophobicContact CD1-CD2 3.84Å; L747-F785 HydrophobicContact CD1-CE2 4.49Å; L747-F785 HydrophobicContact CD1-CG 3.95Å; L747-F785 HydrophobicContact CD2-CB 3.82Å; L747-F785 HydrophobicContact CD2-CG 4.33Å; L747-F785 HydrophobicContact CG-CB 4.2Å; L747-F785 HydrophobicContact CG-CG 4.2Å; I750-F785 HydrophobicContact CD1-CE2 3.86Å; I750-F785 HydrophobicContact CD1-CZ 3.91Å; Y781-F785 HydrophobicContact CD1-CD2 4.12Å; Y781-F785 AromaticContact CD1-CE2 3.84Å; Y781-F785 HydrophobicContact CD1-CE2 3.84Å; Y781-F785 HydrophobicContact CE1-CE2 4.41Å; Y781-F785 WeakPolarHBondContact O-CB 3.16Å; Y781-F785 WeakPolarHBondContact O-CD2 3.48Å; Y781-F785 PolarHBondContact O-N 3.08Å; F785-A787 VanDerWaalsContact C-N 3.29Å; F785-A787 PolarHBondContact O-N 2.79Å; F785-R788 PolarHBondContact O-N 3.39Å; F785-L789 VanDerWaalsContact O-CB 3.28Å; F785-L789 WeakPolarHBondContact O-CB 3.48Å; F785-L789 VanDerWaalsContact O-CG 3.29Å; F785-L789 WeakPolarHBondContact O-CG 3.28Å; F785-L789 PolarHBondContact O-N 2.96Å |
| 786 | G | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.5 | -43.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L782 V783 G790 C791 | L782-G786 WeakPolarHBondContact O-CA 3.38Å; L782-G786 PolarHBondContact O-N 2.94Å; V783-G786 PolarHBondContact O-N 3.26Å; G786-G790 CarbonylContact O-C 3.42Å; G786-G790 PolarHBondContact O-N 3.42Å; G786-C791 PolarHBondContact O-N 3.14Å |
| 787 | A | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V783 S784 F785 L789 G790 I795 P821 L824 A825 L837 | V783-A787 WeakPolarHBondContact O-CB 3.36Å; V783-A787 PolarHBondContact O-N 3Å; S784-A787 PolarHBondContact O-N 2.73Å; F785-A787 VanDerWaalsContact C-N 3.29Å; F785-A787 PolarHBondContact O-N 2.79Å; A787-L789 VanDerWaalsContact C-N 3.32Å; A787-L789 PolarHBondContact O-N 3.22Å; A787-G790 PolarHBondContact O-N 3.26Å; A787-I795 HydrophobicContact CB-CD1 4.3Å; A787-P821 HydrophobicContact CB-CB 3.91Å; A787-P821 VanDerWaalsContact CB-O 3.25Å; A787-P821 WeakPolarHBondContact CB-O 3.42Å; A787-L824 HydrophobicContact CB-CB 4.1Å; A787-A825 HydrophobicContact CB-CB 4.16Å; A787-A825 WeakPolarHBondContact O-CA 3.16Å; A787-L837 HydrophobicContact CB-CD1 4.11Å |
| 788 | R | 91.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 9.2 Ų | 9.2 | 30% | 0.302 | 4% | 0.042 | S | C | . | . | H | α-helix | trans | -65.9 | -32.2 | 179.1 | -166 | 169.1 | -178.4 | -164.2 | 1.1 | 113.2 | L743 S784 F785 G790 L824 | L743-R788 HydrophobicContact CD2-CG 4.17Å; L743-R788 VanDerWaalsContact CD2-NE 3.34Å; S784-R788 WeakPolarHBondContact O-CB 3.28Å; S784-R788 PolarHBondContact O-N 3.15Å; F785-R788 PolarHBondContact O-N 3.39Å; R788-G790 VanDerWaalsContact C-N 3.33Å; R788-L824 HydrophobicContact CB-CB 4.39Å; R788-L824 HydrophobicContact CB-CD1 4.48Å; R788-L824 HydrophobicContact CG-CD2 4.4Å |
| 789 | L | 91.7 | Very high | 94 | Very high | 5 Ų | 5 | 10.6 Ų | 10.6 | 3% | 0.026 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.7 | 173 | -68.7 | 169.1 | 0 | 0 | 0 | 112.8 | Y693 Q740 L743 L744 F785 A787 C791 L794 | Y693-L789 HydrophobicContact CD2-CD1 4.22Å; Y693-L789 HydrophobicContact CE2-CB 3.97Å; Y693-L789 HydrophobicContact CE2-CD1 3.93Å; Y693-L789 HydrophobicContact CE2-CD2 4.35Å; Y693-L789 HydrophobicContact CE2-CG 4.31Å; Q740-L789 HydrophobicContact CB-CD2 4.13Å; Q740-L789 HydrophobicContact CG-CD2 4.47Å; Q740-L789 WeakPolarHBondContact O-CD2 3.31Å; L743-L789 HydrophobicContact CB-CD2 3.82Å; L744-L789 HydrophobicContact CB-CD1 4.44Å; L744-L789 HydrophobicContact CD1-CD1 4.18Å; F785-L789 VanDerWaalsContact O-CB 3.28Å; F785-L789 WeakPolarHBondContact O-CB 3.48Å; F785-L789 VanDerWaalsContact O-CG 3.29Å; F785-L789 WeakPolarHBondContact O-CG 3.28Å; F785-L789 PolarHBondContact O-N 2.96Å; A787-L789 VanDerWaalsContact C-N 3.32Å; A787-L789 PolarHBondContact O-N 3.22Å; L789-C791 VanDerWaalsContact C-N 3.26Å; L789-C791 HydrophobicContact CB-CB 4.35Å; L789-C791 PolarHBondContact O-N 2.98Å; L789-L794 HydrophobicContact CD1-CD1 3.84Å |
| 790 | G | 91.4 | Very high | 94 | Very high | 4 Ų | 4 | 11.2 Ų | 11.2 | 4% | 0.041 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 26.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | W696 G786 A787 R788 P792 S830 | W696-G790 WeakPolarHBondContact CH2-O 3.38Å; W696-G790 WeakPolarHBondContact CZ2-O 3.45Å; G786-G790 CarbonylContact O-C 3.42Å; G786-G790 PolarHBondContact O-N 3.42Å; A787-G790 PolarHBondContact O-N 3.26Å; R788-G790 VanDerWaalsContact C-N 3.33Å; G790-P792 WeakPolarHBondContact O-CD 3.26Å; G790-S830 WeakPolarHBondContact CA-OG 3.18Å; G790-S830 PolarHBondContact O-OG 2.86Å |
| 791 | C | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -104.1 | 102.7 | -174.5 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | Y693 W696 G786 L789 L793 L794 I795 | Y693-C791 HydrophobicContact CD2-CB 4.15Å; Y693-C791 HydrophobicContact CE2-CB 4.11Å; W696-C791 HydrophobicContact CD2-CB 4.14Å; W696-C791 HydrophobicContact CE3-CB 3.82Å; W696-C791 VanDerWaalsContact CE3-SG 3.53Å; W696-C791 HydrophobicContact CH2-CB 3.92Å; W696-C791 HydrophobicContact CZ2-CB 4.24Å; W696-C791 HydrophobicContact CZ3-CB 3.69Å; G786-C791 PolarHBondContact O-N 3.14Å; L789-C791 VanDerWaalsContact C-N 3.26Å; L789-C791 HydrophobicContact CB-CB 4.35Å; L789-C791 PolarHBondContact O-N 2.98Å; C791-L793 VanDerWaalsContact C-N 3.28Å; C791-L793 PolarHBondContact O-N 3.49Å; C791-L794 HydrophobicContact CB-CB 4.37Å; C791-L794 HydrophobicContact CB-CD1 4.11Å; C791-L794 HydrophobicContact CB-CG 4.33Å; C791-L794 PolarHBondContact O-N 3.49Å; C791-I795 PolarHBondContact O-N 2.84Å | ||
| 792 | P | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.2 | -28.4 | -179.5 | -27.8 | 39.3 | 0 | 0 | 0 | 114.7 | N622 L623 G790 I795 L796 A832 F836 | N622-P792 HydrophobicContact CB-CB 4.47Å; N622-P792 HydrophobicContact CB-CG 3.8Å; L623-P792 HydrophobicContact CD1-CB 4.42Å; L623-P792 HydrophobicContact CD2-CB 3.87Å; L623-P792 HydrophobicContact CG-CB 4.09Å; G790-P792 WeakPolarHBondContact O-CD 3.26Å; P792-I795 PolarHBondContact O-N 3.31Å; P792-L796 WeakPolarHBondContact O-CB 3.43Å; P792-L796 PolarHBondContact O-N 3.14Å; P792-A832 HydrophobicContact CG-CB 3.8Å; P792-F836 HydrophobicContact CB-CB 4.47Å; P792-F836 HydrophobicContact CB-CD1 4.15Å; P792-F836 HydrophobicContact CB-CG 4.32Å |
| 793 | L | 94.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 11.2 Ų | 11.2 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68 | -36.3 | 178.3 | -75.9 | 170.8 | 0 | 0 | 0 | 112.9 | L623 P627 V628 I631 L692 W696 C791 L796 S797 | L623-L793 HydrophobicContact CD2-CD2 3.62Å; L623-L793 HydrophobicContact CD2-CG 3.92Å; P627-L793 HydrophobicContact CB-CD1 3.71Å; P627-L793 HydrophobicContact CB-CD2 3.76Å; P627-L793 HydrophobicContact CB-CG 4.42Å; V628-L793 HydrophobicContact CG2-CD2 4.33Å; I631-L793 HydrophobicContact CD1-CB 4.5Å; I631-L793 HydrophobicContact CD1-CD2 3.98Å; L692-L793 HydrophobicContact CD1-CB 4.31Å; L692-L793 HydrophobicContact CD1-CD1 4.34Å; L692-L793 HydrophobicContact CD2-CB 4.44Å; L692-L793 HydrophobicContact CG-CB 4.33Å; W696-L793 HydrophobicContact CB-CD1 3.93Å; W696-L793 HydrophobicContact CG-CD1 4.11Å; C791-L793 VanDerWaalsContact C-N 3.28Å; C791-L793 PolarHBondContact O-N 3.49Å; L793-L796 PolarHBondContact O-N 3.18Å; L793-S797 PolarHBondContact O-N 3.33Å |
| 794 | L | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.8 | -40.4 | 172.8 | -72.9 | 176.2 | 0 | 0 | 0 | 111.2 | I689 L692 Y693 L782 L789 C791 L796 S797 G798 | I689-L794 HydrophobicContact CG2-CD2 3.86Å; L692-L794 HydrophobicContact CD2-CD2 4.11Å; Y693-L794 HydrophobicContact CD2-CD1 3.89Å; L782-L794 HydrophobicContact CD2-CD2 4.13Å; L789-L794 HydrophobicContact CD1-CD1 3.84Å; C791-L794 HydrophobicContact CB-CB 4.37Å; C791-L794 HydrophobicContact CB-CD1 4.11Å; C791-L794 HydrophobicContact CB-CG 4.33Å; C791-L794 PolarHBondContact O-N 3.49Å; L794-L796 VanDerWaalsContact C-N 3.34Å; L794-L796 PolarHBondContact O-N 3.32Å; L794-S797 PolarHBondContact O-N 3.25Å; L794-G798 PolarHBondContact O-N 3Å |
| 795 | I | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 173.8 | -60.5 | 172.2 | 0 | 0 | 0 | 109.9 | V783 A787 C791 P792 S797 G798 L799 A833 F836 L837 | V783-I795 HydrophobicContact CG1-CG2 4.4Å; A787-I795 HydrophobicContact CB-CD1 4.3Å; C791-I795 PolarHBondContact O-N 2.84Å; P792-I795 PolarHBondContact O-N 3.31Å; I795-S797 PolarHBondContact O-N 3.49Å; I795-G798 PolarHBondContact O-N 2.94Å; I795-G798 VanDerWaalsContact O-N 3.11Å; I795-L799 HydrophobicContact CG2-CD1 3.9Å; I795-L799 HydrophobicContact CG2-CG 4.2Å; I795-L799 WeakPolarHBondContact O-CG 3.37Å; I795-L799 PolarHBondContact O-N 2.98Å; I795-A833 HydrophobicContact CD1-CB 3.76Å; I795-F836 HydrophobicContact CB-CD1 4.08Å; I795-F836 HydrophobicContact CB-CE1 4.18Å; I795-F836 HydrophobicContact CG2-CD1 3.76Å; I795-F836 HydrophobicContact CG2-CE1 3.89Å; I795-L837 HydrophobicContact CD1-CD1 4.28Å; I795-L837 HydrophobicContact CD1-CD2 4.47Å; I795-L837 HydrophobicContact CD1-CG 4.13Å; I795-L837 HydrophobicContact CG2-CD2 3.67Å; I795-L837 HydrophobicContact CG2-CG 4.24Å |
| 796 | L | 96.2 | Very high | 93.4 | Very high | 9 Ų | 9 | 15.8 Ų | 15.8 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.6 | -47.5 | 177.1 | 174.6 | 62.2 | 0 | 0 | 0 | 111.4 | L623 V628 I631 P792 L793 L794 G798 L799 T800 F836 | L623-L796 HydrophobicContact CD2-CD2 4.49Å; V628-L796 HydrophobicContact CB-CD2 4.25Å; V628-L796 HydrophobicContact CG1-CD2 3.97Å; V628-L796 HydrophobicContact CG2-CD2 3.77Å; I631-L796 HydrophobicContact CD1-CD2 4.03Å; I631-L796 HydrophobicContact CD1-CG 4.3Å; P792-L796 WeakPolarHBondContact O-CB 3.43Å; P792-L796 PolarHBondContact O-N 3.14Å; L793-L796 PolarHBondContact O-N 3.18Å; L794-L796 VanDerWaalsContact C-N 3.34Å; L794-L796 PolarHBondContact O-N 3.32Å; L796-G798 PolarHBondContact O-N 3.36Å; L796-L799 PolarHBondContact O-N 3.04Å; L796-T800 HydrophobicContact CD1-CG2 3.86Å; L796-T800 HydrophobicContact CG-CG2 4.39Å; L796-T800 VanDerWaalsContact O-CG2 3.31Å; L796-T800 WeakPolarHBondContact O-CG2 3.43Å; L796-T800 PolarHBondContact O-N 3.31Å; L796-T800 PolarHBondContact O-OG1 2.85Å; L796-T800 VanDerWaalsContact O-OG1 3.13Å; L796-F836 HydrophobicContact CB-CE1 3.93Å; L796-F836 HydrophobicContact CB-CZ 3.93Å; L796-F836 HydrophobicContact CD1-CZ 4.12Å |
| 797 | S | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.1 | -32.3 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | W688 L793 L794 I795 T800 G801 | W688-S797 WeakPolarHBondContact CH2-OG 3.39Å; L793-S797 PolarHBondContact O-N 3.33Å; L794-S797 PolarHBondContact O-N 3.25Å; I795-S797 PolarHBondContact O-N 3.49Å; S797-T800 PolarHBondContact O-OG1 2.9Å; S797-G801 PolarHBondContact O-N 3.45Å |
| 798 | G | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.7 | -46.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | A779 L794 I795 L796 T800 G801 G802 G803 | A779-G798 WeakPolarHBondContact CB-O 3.44Å; A779-G798 VanDerWaalsContact O-CA 3.32Å; A779-G798 WeakPolarHBondContact O-CA 3.47Å; L794-G798 PolarHBondContact O-N 3Å; I795-G798 PolarHBondContact O-N 2.94Å; I795-G798 VanDerWaalsContact O-N 3.11Å; L796-G798 PolarHBondContact O-N 3.36Å; G798-T800 PolarHBondContact O-N 3.03Å; G798-G801 CarbonylContact O-C 3.54Å; G798-G801 WeakPolarHBondContact O-CA 3.47Å; G798-G801 PolarHBondContact O-N 3.26Å; G798-G801 VanDerWaalsContact O-N 3.09Å; G798-G802 PolarHBondContact O-N 3.05Å; G798-G803 WeakPolarHBondContact O-CA 3.26Å; G798-G803 PolarHBondContact O-N 2.84Å |
| 799 | L | 94.7 | Very high | 91.2 | Very high | 28 Ų | 28 | 17.9 Ų | 17.9 | 15% | 0.147 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 179.7 | -68 | 175.7 | 0 | 0 | 0 | 112 | V783 I795 L796 G801 G802 P805 F836 N840 | V783-L799 HydrophobicContact CG2-CD2 4.05Å; V783-L799 HydrophobicContact CG2-CG 4.16Å; I795-L799 HydrophobicContact CG2-CD1 3.9Å; I795-L799 HydrophobicContact CG2-CG 4.2Å; I795-L799 WeakPolarHBondContact O-CG 3.37Å; I795-L799 PolarHBondContact O-N 2.98Å; L796-L799 PolarHBondContact O-N 3.04Å; L799-G801 PolarHBondContact O-N 3.09Å; L799-G802 PolarHBondContact O-N 2.87Å; L799-P805 HydrophobicContact CD2-CB 4.11Å; L799-P805 HydrophobicContact CD2-CG 4.48Å; L799-F836 HydrophobicContact CD1-CE1 4.2Å; L799-N840 HydrophobicContact CD1-CB 3.73Å |
| 800 | T | 91.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 9% | 0.086 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.3 | -27.5 | 176.2 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | L632 F666 L796 S797 G798 G802 | L632-T800 HydrophobicContact CD2-CG2 3.5Å; L632-T800 VanDerWaalsContact CD2-CG2 3.5Å; L632-T800 HydrophobicContact CG-CG2 4.3Å; F666-T800 HydrophobicContact CD1-CG2 4.05Å; F666-T800 HydrophobicContact CE1-CG2 4.02Å; L796-T800 HydrophobicContact CD1-CG2 3.86Å; L796-T800 HydrophobicContact CG-CG2 4.39Å; L796-T800 VanDerWaalsContact O-CG2 3.31Å; L796-T800 WeakPolarHBondContact O-CG2 3.43Å; L796-T800 PolarHBondContact O-N 3.31Å; L796-T800 PolarHBondContact O-OG1 2.85Å; L796-T800 VanDerWaalsContact O-OG1 3.13Å; S797-T800 PolarHBondContact O-OG1 2.9Å; G798-T800 PolarHBondContact O-N 3.03Å; T800-G802 PolarHBondContact O-N 3.24Å |
| 801 | G | 89.6 | Confident | 87.9 | Confident | 18 Ų | 18 | 29 Ų | 29 | 19% | 0.186 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 0.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A779 S797 G798 L799 | A779-G801 WeakPolarHBondContact CB-O 3.32Å; S797-G801 PolarHBondContact O-N 3.45Å; G798-G801 CarbonylContact O-C 3.54Å; G798-G801 WeakPolarHBondContact O-CA 3.47Å; G798-G801 PolarHBondContact O-N 3.26Å; G798-G801 VanDerWaalsContact O-N 3.09Å; L799-G801 PolarHBondContact O-N 3.09Å |
| 802 | G | 89.4 | Confident | 86 | Confident | 45 Ų | 45 | 36.7 Ų | 36.7 | 46% | 0.464 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 15.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G798 L799 T800 | G798-G802 PolarHBondContact O-N 3.05Å; L799-G802 PolarHBondContact O-N 2.87Å; T800-G802 PolarHBondContact O-N 3.24Å |
| 803 | G | 91.9 | Very high | 83.4 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | trans | -64.8 | 144.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N780 G798 | N780-G803 VanDerWaalsContact OD1-CA 3.31Å; N780-G803 WeakPolarHBondContact OD1-CA 3.36Å; G798-G803 WeakPolarHBondContact O-CA 3.26Å; G798-G803 PolarHBondContact O-N 2.84Å | ||
| 804 | S | 93.4 | Very high | 80.8 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | trans | -87.8 | 135.6 | 176.1 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | N780 D806 G807 | N780-S804 PolarHBondContact OD1-N 2.9Å; S804-D806 PolarHBondContact O-N 3.48Å; S804-D806 PolarHBondContact OG-N 3.48Å; S804-G807 PolarHBondContact O-N 3.43Å; S804-G807 VanDerWaalsContact O-N 3.15Å | ||
| 805 | P | 94 | Very high | 78.6 | Confident | 21 Ų | 21 | 57 Ų | 57 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.6 | 172.4 | 27.9 | -35.2 | 0 | 0 | 0 | 112.8 | L799 P821 L837 A842 | L799-P805 HydrophobicContact CD2-CB 4.11Å; L799-P805 HydrophobicContact CD2-CG 4.48Å; P805-P821 WeakPolarHBondContact O-CD 3.49Å; P805-P821 VanDerWaalsContact O-CG 3.29Å; P805-P821 WeakPolarHBondContact O-CG 3.43Å; P805-L837 HydrophobicContact CB-CD2 4.3Å; P805-A842 HydrophobicContact CB-CB 4.03Å |
| 806 | D | 92.7 | Very high | 76.2 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 8.2 | 179.1 | -62.5 | -39.7 | 0 | 0 | 0 | 112.9 | S804 K808 A842 D843 I846 | S804-D806 PolarHBondContact O-N 3.48Å; S804-D806 PolarHBondContact OG-N 3.48Å; D806-K808 PolarHBondContact O-N 3.11Å; D806-K808 VanDerWaalsContact O-N 3.13Å; D806-A842 VanDerWaalsContact OD1-CA 3.31Å; D806-A842 WeakPolarHBondContact OD1-CA 3.39Å; D806-D843 PolarHBondContact OD1-N 2.8Å; D806-I846 HydrophobicContact CB-CD1 3.63Å |
| 807 | G | 83.7 | Confident | 74.1 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 13% | 0.134 | 35% | 0.348 | C | S | . | . | trans | -63.6 | 113.9 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | S804 P821 | S804-G807 PolarHBondContact O-N 3.43Å; S804-G807 VanDerWaalsContact O-N 3.15Å; G807-P821 WeakPolarHBondContact O-CD 3.38Å | ||
| 808 | K | 76.6 | Confident | 73.2 | Confident | 85 Ų | 85 | 62.4 Ų | 62.4 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | trans | -83.8 | 123.6 | 167.1 | -68.9 | -171.7 | 175.9 | -169.1 | 0 | 110 | D806 K810 P820 K847 D849 | D806-K808 PolarHBondContact O-N 3.11Å; D806-K808 VanDerWaalsContact O-N 3.13Å; K808-K810 PolarHBondContact O-N 3.33Å; K808-P820 HydrophobicContact CG-CG 4.16Å; K808-K847 WeakPolarHBondContact CE-O 3.46Å; K808-K847 PolarHBondContact NZ-O 3.13Å; K808-D849 IonicContact NZ-OD1 3.06Å; K808-D849 PolarHBondContact NZ-OD1 3.43Å | ||
| 809 | L | 73.7 | Confident | 73 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | trans | -82.9 | 112.6 | 173.5 | -69.9 | 168.2 | 0 | 0 | 0 | 109 | N780 Y781 S784 T811 S818 | N780-L809 HydrophobicContact CB-CD2 4.03Å; Y781-L809 HydrophobicContact CD1-CD1 3.39Å; Y781-L809 HydrophobicContact CD1-CD2 3.92Å; Y781-L809 HydrophobicContact CD1-CG 4.3Å; Y781-L809 HydrophobicContact CD2-CD2 4.18Å; Y781-L809 HydrophobicContact CE1-CD1 3.54Å; Y781-L809 HydrophobicContact CE1-CD2 3.85Å; Y781-L809 HydrophobicContact CE1-CG 4.22Å; Y781-L809 HydrophobicContact CE2-CD2 4.1Å; Y781-L809 HydrophobicContact CG-CD1 4.2Å; Y781-L809 HydrophobicContact CG-CD2 4.08Å; S784-L809 VanDerWaalsContact CB-CD1 3.42Å; S784-L809 WeakPolarHBondContact OG-CD1 3.27Å; L809-T811 PolarHBondContact O-N 3.27Å; L809-S818 WeakPolarHBondContact O-CB 3.3Å; L809-S818 PolarHBondContact O-OG 3.27Å | ||
| 810 | K | 62.4 | Low | 72.9 | Confident | 188 Ų | 188 | 62.4 Ų | 62.4 | 82% | 0.817 | 36% | 0.355 | S | S | * | . | trans | -77.8 | 106.6 | 166.8 | -67.1 | -172.5 | 176.8 | -170.9 | 0 | 107.8 | K808 | K808-K810 PolarHBondContact O-N 3.33Š| ||
| 811 | T | 52.9 | Low | 73.1 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | trans | -94.1 | 116.4 | 168.8 | 43.9 | 0 | 0 | 0 | 0 | 107.7 | L809 E813 M814 | L809-T811 PolarHBondContact O-N 3.27Å; T811-E813 PolarHBondContact O-N 2.99Å; T811-M814 PolarHBondContact OG1-O 2.96Å | ||
| 812 | D | 52.5 | Low | 73.5 | Confident | 162 Ų | 162 | 61 Ų | 61 | 87% | 0.866 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -74.6 | -9.5 | 176.7 | -69.6 | -28.9 | 0 | 0 | 0 | 112.3 | ||
| 813 | E | 40.1 | Very low | 73.8 | Confident | 187 Ų | 187 | 58.9 Ų | 58.9 | 87% | 0.874 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -143 | 13.2 | -164.1 | -74 | -171.6 | 155.5 | 0 | 0 | 117.7 | T811 | T811-E813 PolarHBondContact O-N 2.99Š|
| 814 | M | 40.9 | Very low | 73.9 | Confident | 128 Ų | 128 | 59.1 Ų | 59.1 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | trans | -150.7 | 135.4 | 175.8 | -164.4 | 64.1 | 120.6 | 0 | 0 | 111.9 | T811 T816 | T811-M814 PolarHBondContact OG1-O 2.96Å; M814-T816 PolarHBondContact O-N 2.85Å | ||
| 815 | S | 47.4 | Very low | 73.9 | Confident | 115 Ų | 115 | 56.9 Ų | 56.9 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | trans | -57.6 | 12.2 | -171.7 | 53.3 | 0 | 0 | 0 | 0 | 117.1 | S817 | S815-S817 PolarHBondContact O-N 2.63Š| ||
| 816 | T | 47.9 | Very low | 73.9 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | trans | -85.3 | 99 | 176.4 | 47.3 | 0 | 0 | 0 | 0 | 109.4 | M814 S818 | M814-T816 PolarHBondContact O-N 2.85Å; T816-S818 PolarHBondContact O-N 3.02Å | ||
| 817 | S | 52.2 | Low | 73.8 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | trans | -41 | 131.6 | 174.5 | 25.8 | 0 | 0 | 0 | 0 | 112.4 | S815 Y819 | S815-S817 PolarHBondContact O-N 2.63Å; S817-Y819 VanDerWaalsContact C-N 3.27Å; S817-Y819 VanDerWaalsContact O-CD2 3.29Å; S817-Y819 WeakPolarHBondContact O-CD2 3.34Å; S817-Y819 PolarHBondContact O-N 2.94Å; S817-Y819 WeakPolarHBondContact OG-CE2 3.42Å; S817-Y819 PolarHBondContact OG-OH 3.36Å; S817-Y819 VanDerWaalsContact OG-OH 3.08Å | ||
| 818 | S | 75.5 | Confident | 74 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | trans | -72.5 | 73.4 | -173.7 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | L809 T816 | L809-S818 WeakPolarHBondContact O-CB 3.3Å; L809-S818 PolarHBondContact O-OG 3.27Å; T816-S818 PolarHBondContact O-N 3.02Å | ||
| 819 | Y | 89.7 | Confident | 74.5 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | trans | -81.1 | 137.9 | 178.2 | -63.7 | -62.8 | 0 | 0 | 0 | 111.7 | S817 I823 L824 D848 H857 | S817-Y819 VanDerWaalsContact C-N 3.27Å; S817-Y819 VanDerWaalsContact O-CD2 3.29Å; S817-Y819 WeakPolarHBondContact O-CD2 3.34Å; S817-Y819 PolarHBondContact O-N 2.94Å; S817-Y819 WeakPolarHBondContact OG-CE2 3.42Å; S817-Y819 PolarHBondContact OG-OH 3.36Å; S817-Y819 VanDerWaalsContact OG-OH 3.08Å; Y819-I823 HydrophobicContact CD1-CG2 3.82Å; Y819-I823 HydrophobicContact CG-CG2 4.1Å; Y819-L824 HydrophobicContact CD2-CD2 4.02Å; Y819-L824 HydrophobicContact CG-CD2 4.33Å; Y819-D848 HydrophobicContact CD1-CB 3.7Å; Y819-D848 HydrophobicContact CE1-CB 3.95Å; Y819-D848 WeakPolarHBondContact CE1-OD2 3.33Å; Y819-H857 AromaticContact CE1-CE1 3.63Å | ||
| 820 | P | 93.6 | Very high | 75.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | trans | -54.5 | 150.4 | 164.1 | -23.9 | 31.5 | 0 | 0 | 0 | 112.8 | K808 L822 I823 L824 I846 | K808-P820 HydrophobicContact CG-CG 4.16Å; P820-L822 VanDerWaalsContact C-N 3.31Å; P820-L822 PolarHBondContact O-N 3.16Å; P820-I823 HydrophobicContact CB-CG1 4.42Å; P820-I823 HydrophobicContact CG-CD1 4.1Å; P820-I823 HydrophobicContact CG-CG1 4.42Å; P820-I823 WeakPolarHBondContact O-CB 3.36Å; P820-I823 PolarHBondContact O-N 3.16Å; P820-L824 PolarHBondContact O-N 2.98Å; P820-I846 HydrophobicContact CB-CD1 3.78Å; P820-I846 HydrophobicContact CB-CG1 4.08Å; P820-I846 HydrophobicContact CB-CG2 3.81Å; P820-I846 HydrophobicContact CG-CD1 3.85Å; P820-I846 HydrophobicContact CG-CG1 3.75Å; P820-I846 HydrophobicContact CG-CG2 4.05Å | ||
| 821 | P | 95.6 | Very high | 76.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.9 | -41.3 | -179.2 | -28.6 | 36.6 | 0 | 0 | 0 | 114 | V783 A787 P805 G807 I823 L824 A825 L837 | V783-P821 HydrophobicContact CG1-CB 3.83Å; V783-P821 HydrophobicContact CG1-CG 3.65Å; A787-P821 HydrophobicContact CB-CB 3.91Å; A787-P821 VanDerWaalsContact CB-O 3.25Å; A787-P821 WeakPolarHBondContact CB-O 3.42Å; P805-P821 WeakPolarHBondContact O-CD 3.49Å; P805-P821 VanDerWaalsContact O-CG 3.29Å; P805-P821 WeakPolarHBondContact O-CG 3.43Å; G807-P821 WeakPolarHBondContact O-CD 3.38Å; P821-I823 VanDerWaalsContact C-N 3.28Å; P821-I823 PolarHBondContact O-N 3.48Å; P821-L824 WeakPolarHBondContact O-CB 3.34Å; P821-L824 PolarHBondContact O-N 3.49Å; P821-A825 PolarHBondContact O-N 3.5Å; P821-L837 HydrophobicContact CB-CD1 3.88Å; P821-L837 HydrophobicContact CB-CD2 4.02Å |
| 822 | L | 96.9 | Very high | 78.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -36.5 | 178.7 | -177.2 | 62.1 | 0 | 0 | 0 | 112.3 | P820 S826 C834 L837 L838 A842 D843 A854 | P820-L822 VanDerWaalsContact C-N 3.31Å; P820-L822 PolarHBondContact O-N 3.16Å; L822-S826 WeakPolarHBondContact O-CB 3.5Å; L822-S826 PolarHBondContact O-N 2.86Å; L822-S826 PolarHBondContact O-OG 3.34Å; L822-C834 HydrophobicContact CD1-CB 4.08Å; L822-L837 HydrophobicContact CD1-CB 4.45Å; L822-L838 HydrophobicContact CD1-CD1 4.43Å; L822-L838 HydrophobicContact CD1-CD2 4.22Å; L822-L838 HydrophobicContact CD1-CG 4Å; L822-L838 HydrophobicContact CD2-CD2 3.72Å; L822-L838 HydrophobicContact CD2-CG 4.41Å; L822-A842 HydrophobicContact CB-CB 4.48Å; L822-D843 WeakPolarHBondContact CD2-O 3.44Å; L822-A854 HydrophobicContact CD2-CB 4.07Å; L822-A854 HydrophobicContact CG-CB 3.91Å |
| 823 | I | 95.5 | Very high | 80.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.5 | -43.8 | 176.1 | -64.5 | -171.4 | 0 | 0 | 0 | 110.2 | Y819 P820 P821 A825 S826 R827 D848 R852 A854 H857 | Y819-I823 HydrophobicContact CD1-CG2 3.82Å; Y819-I823 HydrophobicContact CG-CG2 4.1Å; P820-I823 HydrophobicContact CB-CG1 4.42Å; P820-I823 HydrophobicContact CG-CD1 4.1Å; P820-I823 HydrophobicContact CG-CG1 4.42Å; P820-I823 WeakPolarHBondContact O-CB 3.36Å; P820-I823 PolarHBondContact O-N 3.16Å; P821-I823 VanDerWaalsContact C-N 3.28Å; P821-I823 PolarHBondContact O-N 3.48Å; I823-A825 PolarHBondContact O-N 3.04Å; I823-S826 WeakPolarHBondContact O-CB 3.39Å; I823-S826 PolarHBondContact O-N 2.72Å; I823-S826 VanDerWaalsContact O-N 3.1Å; I823-R827 HydrophobicContact CG2-CG 4.41Å; I823-R827 WeakPolarHBondContact O-CG 3.23Å; I823-R827 PolarHBondContact O-N 2.86Å; I823-D848 HydrophobicContact CD1-CB 3.98Å; I823-R852 WeakPolarHBondContact CD1-O 3.42Å; I823-A854 HydrophobicContact CG1-CB 4.23Å; I823-H857 HydrophobicContact CG2-CB 4.39Å; I823-H857 VanDerWaalsContact CG2-CD2 3.44Å; I823-H857 WeakPolarHBondContact CG2-CD2 3.4Å; I823-H857 WeakPolarHBondContact CG2-NE2 3.47Å |
| 824 | L | 94.2 | Very high | 82.7 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 175.1 | -69.1 | 172.1 | 0 | 0 | 0 | 112.1 | S784 A787 R788 Y819 P820 P821 S826 R827 I828 | S784-L824 WeakPolarHBondContact OG-CD1 3.4Å; A787-L824 HydrophobicContact CB-CB 4.1Å; R788-L824 HydrophobicContact CB-CB 4.39Å; R788-L824 HydrophobicContact CB-CD1 4.48Å; R788-L824 HydrophobicContact CG-CD2 4.4Å; Y819-L824 HydrophobicContact CD2-CD2 4.02Å; Y819-L824 HydrophobicContact CG-CD2 4.33Å; P820-L824 PolarHBondContact O-N 2.98Å; P821-L824 WeakPolarHBondContact O-CB 3.34Å; P821-L824 PolarHBondContact O-N 3.49Å; L824-S826 VanDerWaalsContact C-N 3.25Å; L824-S826 PolarHBondContact O-N 3.35Å; L824-R827 PolarHBondContact O-N 3.36Å; L824-I828 PolarHBondContact O-N 3.45Å |
| 825 | A | 94 | Very high | 85.3 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.7 | -33.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A787 P821 I823 I828 G829 S830 A833 C834 L837 | A787-A825 HydrophobicContact CB-CB 4.16Å; A787-A825 WeakPolarHBondContact O-CA 3.16Å; P821-A825 PolarHBondContact O-N 3.5Å; I823-A825 PolarHBondContact O-N 3.04Å; A825-I828 VanDerWaalsContact O-CG2 3.32Å; A825-I828 WeakPolarHBondContact O-CG2 3.37Å; A825-G829 PolarHBondContact O-N 3.31Å; A825-S830 PolarHBondContact O-N 3.2Å; A825-A833 HydrophobicContact CB-CB 3.77Å; A825-C834 VanDerWaalsContact CB-SG 3.51Å; A825-L837 HydrophobicContact CB-CD1 4.08Å |
| 826 | S | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.4 | -38.9 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | L822 I823 L824 G829 C834 L866 | L822-S826 WeakPolarHBondContact O-CB 3.5Å; L822-S826 PolarHBondContact O-N 2.86Å; L822-S826 PolarHBondContact O-OG 3.34Å; I823-S826 WeakPolarHBondContact O-CB 3.39Å; I823-S826 PolarHBondContact O-N 2.72Å; I823-S826 VanDerWaalsContact O-N 3.1Å; L824-S826 VanDerWaalsContact C-N 3.25Å; L824-S826 PolarHBondContact O-N 3.35Å; S826-G829 PolarHBondContact O-N 2.89Å; S826-C834 PolarHBondContact N-SG 2.98Å; S826-L866 WeakPolarHBondContact O-CD1 3.38Å |
| 827 | R | 91.4 | Very high | 90 | Very high | 73 Ų | 73 | 14.3 Ų | 14.3 | 28% | 0.275 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.8 | -69.7 | 172.6 | 67.2 | 91.9 | -1.6 | 111.9 | I823 L824 G829 H857 F861 | I823-R827 HydrophobicContact CG2-CG 4.41Å; I823-R827 WeakPolarHBondContact O-CG 3.23Å; I823-R827 PolarHBondContact O-N 2.86Å; L824-R827 PolarHBondContact O-N 3.36Å; R827-G829 PolarHBondContact O-N 3.26Å; R827-H857 HydrophobicContact CG-CB 4.12Å; R827-H857 PolarHBondContact NH1-CE1 2.91Å; R827-H857 VanDerWaalsContact NH1-CE1 3.32Å; R827-H857 PolarHBondContact NH1-ND1 3.39Å; R827-F861 HydrophobicContact CB-CE2 4.28Å; R827-F861 HydrophobicContact CG-CD2 4.23Å; R827-F861 HydrophobicContact CG-CE2 3.82Å |
| 828 | I | 87.1 | Confident | 92.2 | Very high | 77 Ų | 77 | 12.9 Ų | 12.9 | 40% | 0.395 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -71.9 | -12.6 | 177.2 | -163.2 | 60.4 | 0 | 0 | 0 | 112.8 | L824 A825 | L824-I828 PolarHBondContact O-N 3.45Å; A825-I828 VanDerWaalsContact O-CG2 3.32Å; A825-I828 WeakPolarHBondContact O-CG2 3.37Å |
| 829 | G | 87.1 | Confident | 93.1 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 8% | 0.082 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 11.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A825 S826 R827 I831 H865 | A825-G829 PolarHBondContact O-N 3.31Å; S826-G829 PolarHBondContact O-N 2.89Å; R827-G829 PolarHBondContact O-N 3.26Å; G829-I831 PolarHBondContact O-N 3.02Å; G829-H865 PolarHBondContact O-NE2 3.41Å |
| 830 | S | 88.6 | Confident | 93.4 | Very high | 14 Ų | 14 | 13.4 Ų | 13.4 | 10% | 0.098 | 7% | 0.068 | C | C | . | . | trans | -81.2 | 104.7 | -173.7 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | G790 A825 A833 C834 | G790-S830 WeakPolarHBondContact CA-OG 3.18Å; G790-S830 PolarHBondContact O-OG 2.86Å; A825-S830 PolarHBondContact O-N 3.2Å; S830-A833 VanDerWaalsContact OG-CB 3.31Å; S830-A833 WeakPolarHBondContact OG-CB 3.34Å; S830-A833 PolarHBondContact OG-N 2.81Å; S830-C834 WeakPolarHBondContact O-CB 3.48Å; S830-C834 PolarHBondContact O-N 3.35Å; S830-C834 PolarHBondContact O-SG 2.75Å | ||
| 831 | I | 88.1 | Confident | 93.4 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.6 | -52.9 | 172.4 | -74.4 | 159.4 | 0 | 0 | 0 | 111.3 | H618 G829 A833 C834 E835 H865 L866 Y936 | H618-I831 HydrophobicContact CB-CG2 3.89Å; G829-I831 PolarHBondContact O-N 3.02Å; I831-A833 VanDerWaalsContact C-N 3.29Å; I831-A833 PolarHBondContact O-N 3.13Å; I831-C834 PolarHBondContact O-N 3.12Å; I831-E835 WeakPolarHBondContact O-CB 3.31Å; I831-E835 PolarHBondContact O-N 2.64Å; I831-H865 HydrophobicContact CD1-CB 4.41Å; I831-L866 HydrophobicContact CG1-CD2 4.16Å; I831-Y936 HydrophobicContact CB-CE1 4.37Å; I831-Y936 HydrophobicContact CD1-CD1 3.9Å; I831-Y936 HydrophobicContact CD1-CD2 4.05Å; I831-Y936 HydrophobicContact CD1-CE1 3.6Å; I831-Y936 HydrophobicContact CD1-CE2 3.75Å; I831-Y936 HydrophobicContact CD1-CG 4.07Å; I831-Y936 VanDerWaalsContact CD1-CZ 3.41Å; I831-Y936 HydrophobicContact CG1-CE1 4.17Å; I831-Y936 HydrophobicContact CG1-CE2 4.28Å; I831-Y936 WeakPolarHBondContact CG1-OH 3.44Å; I831-Y936 HydrophobicContact CG2-CE1 3.5Å; I831-Y936 WeakPolarHBondContact CG2-OH 3.44Å |
| 832 | A | 89.4 | Confident | 93.4 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64 | -39.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | H618 N622 P792 F836 | H618-A832 HydrophobicContact CB-CB 4.32Å; N622-A832 HydrophobicContact CB-CB 3.98Å; N622-A832 WeakPolarHBondContact ND2-CB 3.2Å; P792-A832 HydrophobicContact CG-CB 3.8Å; A832-F836 WeakPolarHBondContact O-CB 3.34Å; A832-F836 PolarHBondContact O-N 3.28Å |
| 833 | A | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.2 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | I795 A825 S830 I831 F836 L837 | I795-A833 HydrophobicContact CD1-CB 3.76Å; A825-A833 HydrophobicContact CB-CB 3.77Å; S830-A833 VanDerWaalsContact OG-CB 3.31Å; S830-A833 WeakPolarHBondContact OG-CB 3.34Å; S830-A833 PolarHBondContact OG-N 2.81Å; I831-A833 VanDerWaalsContact C-N 3.29Å; I831-A833 PolarHBondContact O-N 3.13Å; A833-F836 PolarHBondContact O-N 3.41Å; A833-L837 WeakPolarHBondContact O-CB 3.39Å; A833-L837 VanDerWaalsContact O-CG 3.29Å; A833-L837 WeakPolarHBondContact O-CG 3.28Å; A833-L837 PolarHBondContact O-N 3.14Å |
| 834 | C | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.2 | -53.1 | 178.1 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | L822 A825 S826 S830 I831 F836 L837 L838 L866 L869 | L822-C834 HydrophobicContact CD1-CB 4.08Å; A825-C834 VanDerWaalsContact CB-SG 3.51Å; S826-C834 PolarHBondContact N-SG 2.98Å; S830-C834 WeakPolarHBondContact O-CB 3.48Å; S830-C834 PolarHBondContact O-N 3.35Å; S830-C834 PolarHBondContact O-SG 2.75Å; I831-C834 PolarHBondContact O-N 3.12Å; C834-F836 VanDerWaalsContact C-N 3.33Å; C834-F836 PolarHBondContact O-N 3.01Å; C834-L837 PolarHBondContact O-N 3.13Å; C834-L838 VanDerWaalsContact O-CG 3.31Å; C834-L838 WeakPolarHBondContact O-CG 3.43Å; C834-L838 PolarHBondContact O-N 2.63Å; C834-L866 HydrophobicContact CB-CD2 4.18Å; C834-L869 HydrophobicContact CB-CD2 3.8Å |
| 835 | E | 94.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | -179.7 | 178.4 | 60.8 | -162.3 | 0 | 0 | 111.1 | E615 L616 V619 I831 L837 L838 L839 L869 R873 | E615-E835 HydrophobicContact CB-CG 4.16Å; L616-E835 HydrophobicContact CD2-CG 4.27Å; L616-E835 WeakPolarHBondContact CD2-OE1 3.49Å; V619-E835 HydrophobicContact CG2-CB 3.68Å; V619-E835 HydrophobicContact CG2-CG 3.54Å; I831-E835 WeakPolarHBondContact O-CB 3.31Å; I831-E835 PolarHBondContact O-N 2.64Å; E835-L837 PolarHBondContact O-N 3.11Å; E835-L838 PolarHBondContact O-N 2.93Å; E835-L839 HydrophobicContact CG-CD1 3.96Å; E835-L839 HydrophobicContact CG-CG 4.32Å; E835-L839 WeakPolarHBondContact O-CB 3.47Å; E835-L839 WeakPolarHBondContact O-CG 3.15Å; E835-L839 PolarHBondContact O-N 2.74Å; E835-L839 WeakPolarHBondContact OE1-CG 3.29Å; E835-L869 HydrophobicContact CB-CD2 4.46Å; E835-L869 WeakPolarHBondContact OE2-CD1 3.21Å; E835-R873 IonicContact OE1-CZ 2.73Å; E835-R873 IonicContact OE1-NE 3.21Å; E835-R873 PolarHBondContact OE1-NE 2.86Å; E835-R873 IonicContact OE1-NH2 3.24Å; E835-R873 PolarHBondContact OE1-NH2 3.12Å; E835-R873 IonicContact OE2-CZ 3.9Å; E835-R873 IonicContact OE2-NE 2.84Å; E835-R873 PolarHBondContact OE2-NE 3.24Å; E835-R873 IonicContact OE2-NH2 3.04Å; E835-R873 PolarHBondContact OE2-NH2 2.8Å |
| 836 | F | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 177.7 | -172.9 | -115.4 | 0 | 0 | 0 | 112.7 | N581 V619 L623 P792 I795 L796 L799 A832 A833 C834 L839 N840 | N581-F836 WeakPolarHBondContact O-CE2 3.49Å; V619-F836 HydrophobicContact CG1-CB 4.27Å; V619-F836 HydrophobicContact CG1-CD2 3.71Å; V619-F836 HydrophobicContact CG1-CG 4.42Å; V619-F836 HydrophobicContact CG2-CB 4.17Å; L623-F836 HydrophobicContact CD1-CD2 3.6Å; L623-F836 HydrophobicContact CD1-CE2 3.38Å; L623-F836 HydrophobicContact CD1-CG 4.35Å; L623-F836 HydrophobicContact CD1-CZ 3.99Å; P792-F836 HydrophobicContact CB-CB 4.47Å; P792-F836 HydrophobicContact CB-CD1 4.15Å; P792-F836 HydrophobicContact CB-CG 4.32Å; I795-F836 HydrophobicContact CB-CD1 4.08Å; I795-F836 HydrophobicContact CB-CE1 4.18Å; I795-F836 HydrophobicContact CG2-CD1 3.76Å; I795-F836 HydrophobicContact CG2-CE1 3.89Å; L796-F836 HydrophobicContact CB-CE1 3.93Å; L796-F836 HydrophobicContact CB-CZ 3.93Å; L796-F836 HydrophobicContact CD1-CZ 4.12Å; L799-F836 HydrophobicContact CD1-CE1 4.2Å; A832-F836 WeakPolarHBondContact O-CB 3.34Å; A832-F836 PolarHBondContact O-N 3.28Å; A833-F836 PolarHBondContact O-N 3.41Å; C834-F836 VanDerWaalsContact C-N 3.33Å; C834-F836 PolarHBondContact O-N 3.01Å; F836-L839 PolarHBondContact O-N 3.24Å; F836-N840 VanDerWaalsContact CE2-ND2 3.34Å; F836-N840 WeakPolarHBondContact CE2-ND2 3.4Å; F836-N840 PolarHBondContact O-N 3.49Å; F836-N840 VanDerWaalsContact O-N 3.15Å; F836-N840 PolarHBondContact O-ND2 2.91Å |
| 837 | L | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 173.7 | -75.9 | 166.7 | 0 | 0 | 0 | 111.5 | V783 A787 I795 P805 P821 L822 A825 A833 C834 E835 L839 N840 G841 A842 | V783-L837 HydrophobicContact CG1-CD2 4.09Å; A787-L837 HydrophobicContact CB-CD1 4.11Å; I795-L837 HydrophobicContact CD1-CD1 4.28Å; I795-L837 HydrophobicContact CD1-CD2 4.47Å; I795-L837 HydrophobicContact CD1-CG 4.13Å; I795-L837 HydrophobicContact CG2-CD2 3.67Å; I795-L837 HydrophobicContact CG2-CG 4.24Å; P805-L837 HydrophobicContact CB-CD2 4.3Å; P821-L837 HydrophobicContact CB-CD1 3.88Å; P821-L837 HydrophobicContact CB-CD2 4.02Å; L822-L837 HydrophobicContact CD1-CB 4.45Å; A825-L837 HydrophobicContact CB-CD1 4.08Å; A833-L837 WeakPolarHBondContact O-CB 3.39Å; A833-L837 VanDerWaalsContact O-CG 3.29Å; A833-L837 WeakPolarHBondContact O-CG 3.28Å; A833-L837 PolarHBondContact O-N 3.14Å; C834-L837 PolarHBondContact O-N 3.13Å; E835-L837 PolarHBondContact O-N 3.11Å; L837-L839 VanDerWaalsContact C-N 3.34Å; L837-L839 PolarHBondContact O-N 3.25Å; L837-N840 CarbonylContact O-C 3.29Å; L837-N840 WeakPolarHBondContact O-CA 3.39Å; L837-N840 PolarHBondContact O-N 3.35Å; L837-N840 VanDerWaalsContact O-N 3.08Å; L837-G841 PolarHBondContact O-N 3.17Å; L837-G841 VanDerWaalsContact O-N 3.14Å; L837-A842 HydrophobicContact CB-CB 3.92Å; L837-A842 WeakPolarHBondContact O-CB 3.44Å; L837-A842 PolarHBondContact O-N 3.4Å |
| 838 | L | 97.1 | Very high | 93.7 | Very high | 25 Ų | 25 | 24.5 Ų | 24.5 | 13% | 0.131 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 177.2 | -69.4 | 171.3 | 0 | 0 | 0 | 111.9 | L822 C834 E835 N840 G841 I844 L870 R873 | L822-L838 HydrophobicContact CD1-CD1 4.43Å; L822-L838 HydrophobicContact CD1-CD2 4.22Å; L822-L838 HydrophobicContact CD1-CG 4Å; L822-L838 HydrophobicContact CD2-CD2 3.72Å; L822-L838 HydrophobicContact CD2-CG 4.41Å; C834-L838 VanDerWaalsContact O-CG 3.31Å; C834-L838 WeakPolarHBondContact O-CG 3.43Å; C834-L838 PolarHBondContact O-N 2.63Å; E835-L838 PolarHBondContact O-N 2.93Å; L838-N840 PolarHBondContact O-N 3.23Å; L838-G841 PolarHBondContact O-N 3.02Å; L838-G841 VanDerWaalsContact O-N 3.13Å; L838-I844 HydrophobicContact CD2-CB 3.92Å; L838-I844 HydrophobicContact CD2-CD1 4.3Å; L838-I844 HydrophobicContact CD2-CG1 4Å; L838-L870 HydrophobicContact CD1-CD2 4.36Å; L838-R873 HydrophobicContact CD1-CB 4.29Å; L838-R873 HydrophobicContact CD1-CG 4.01Å |
| 839 | L | 95.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 26 Ų | 26 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.2 | -27.9 | 176 | -75.3 | 171.1 | 0 | 0 | 0 | 112.9 | I580 N581 K603 L616 V619 E835 F836 L837 | I580-L839 HydrophobicContact CD1-CD2 3.94Å; I580-L839 HydrophobicContact CG1-CD2 4.13Å; N581-L839 HydrophobicContact CB-CB 3.92Å; K603-L839 HydrophobicContact CD-CD2 4.39Å; K603-L839 PolarHBondContact NZ-O 3.01Å; L616-L839 HydrophobicContact CD2-CD1 3.8Å; L616-L839 HydrophobicContact CD2-CD2 4.14Å; L616-L839 HydrophobicContact CD2-CG 4.45Å; V619-L839 HydrophobicContact CG1-CD1 4.35Å; V619-L839 HydrophobicContact CG2-CD1 4.38Å; E835-L839 HydrophobicContact CG-CD1 3.96Å; E835-L839 HydrophobicContact CG-CG 4.32Å; E835-L839 WeakPolarHBondContact O-CB 3.47Å; E835-L839 WeakPolarHBondContact O-CG 3.15Å; E835-L839 PolarHBondContact O-N 2.74Å; E835-L839 WeakPolarHBondContact OE1-CG 3.29Å; F836-L839 PolarHBondContact O-N 3.24Å; L837-L839 VanDerWaalsContact C-N 3.34Å; L837-L839 PolarHBondContact O-N 3.25Å |
| 840 | N | 95.5 | Very high | 94 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 25% | 0.246 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 15.6 | 177.2 | -73.4 | -76 | 0 | 0 | 0 | 113.7 | N581 L799 F836 L837 L838 | N581-N840 PolarHBondContact O-ND2 3.38Å; N581-N840 PolarHBondContact O-OD1 2.97Å; L799-N840 HydrophobicContact CD1-CB 3.73Å; F836-N840 VanDerWaalsContact CE2-ND2 3.34Å; F836-N840 WeakPolarHBondContact CE2-ND2 3.4Å; F836-N840 PolarHBondContact O-N 3.49Å; F836-N840 VanDerWaalsContact O-N 3.15Å; F836-N840 PolarHBondContact O-ND2 2.91Å; L837-N840 CarbonylContact O-C 3.29Å; L837-N840 WeakPolarHBondContact O-CA 3.39Å; L837-N840 PolarHBondContact O-N 3.35Å; L837-N840 VanDerWaalsContact O-N 3.08Å; L838-N840 PolarHBondContact O-N 3.23Å |
| 841 | G | 93.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 30.3 Ų | 30.3 | 53% | 0.526 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 19.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L837 L838 D843 | L837-G841 PolarHBondContact O-N 3.17Å; L837-G841 VanDerWaalsContact O-N 3.14Å; L838-G841 PolarHBondContact O-N 3.02Å; L838-G841 VanDerWaalsContact O-N 3.13Å; G841-D843 PolarHBondContact O-N 2.83Å |
| 842 | A | 96.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | trans | -56.5 | 135.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | P805 D806 L822 L837 I844 | P805-A842 HydrophobicContact CB-CB 4.03Å; D806-A842 VanDerWaalsContact OD1-CA 3.31Å; D806-A842 WeakPolarHBondContact OD1-CA 3.39Å; L822-A842 HydrophobicContact CB-CB 4.48Å; L837-A842 HydrophobicContact CB-CB 3.92Å; L837-A842 WeakPolarHBondContact O-CB 3.44Å; L837-A842 PolarHBondContact O-N 3.4Å; A842-I844 PolarHBondContact O-N 3.28Å | ||
| 843 | D | 96.3 | Very high | 95 | Very high | 81 Ų | 81 | 31.8 Ų | 31.8 | 43% | 0.433 | 17% | 0.169 | S | C | . | . | trans | -69.2 | 119.6 | 173.6 | 179.5 | 11.2 | 0 | 0 | 0 | 109.6 | D806 L822 G841 D845 I846 | D806-D843 PolarHBondContact OD1-N 2.8Å; L822-D843 WeakPolarHBondContact CD2-O 3.44Å; G841-D843 PolarHBondContact O-N 2.83Å; D843-D845 PolarHBondContact O-N 2.92Å; D843-D845 PolarHBondContact OD1-N 2.94Å; D843-D845 VanDerWaalsContact OD1-N 3.09Å; D843-I846 HydrophobicContact CB-CB 4.14Å; D843-I846 WeakPolarHBondContact O-CB 3.49Å; D843-I846 VanDerWaalsContact O-CG2 3.26Å; D843-I846 WeakPolarHBondContact O-CG2 3.26Å; D843-I846 PolarHBondContact O-N 3.05Å | ||
| 844 | I | 96.8 | Very high | 95.1 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -28.9 | -176.9 | -166.3 | 165 | 0 | 0 | 0 | 112.6 | L838 A842 L870 R873 A875 | L838-I844 HydrophobicContact CD2-CB 3.92Å; L838-I844 HydrophobicContact CD2-CD1 4.3Å; L838-I844 HydrophobicContact CD2-CG1 4Å; A842-I844 PolarHBondContact O-N 3.28Å; I844-L870 HydrophobicContact CD1-CD2 4.49Å; I844-L870 HydrophobicContact CG1-CD2 4.17Å; I844-R873 HydrophobicContact CD1-CB 3.45Å; I844-R873 VanDerWaalsContact CD1-CB 3.45Å; I844-R873 VanDerWaalsContact CD1-O 3.27Å; I844-R873 WeakPolarHBondContact CD1-O 3.48Å; I844-A875 HydrophobicContact CD1-CB 3.75Å; I844-A875 HydrophobicContact CG1-CB 3.8Å |
| 845 | D | 97.1 | Very high | 95.2 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 21% | 0.214 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 16.4 | -176.8 | -72.2 | -27.3 | 0 | 0 | 0 | 111.9 | D843 K847 N876 I879 | D843-D845 PolarHBondContact O-N 2.92Å; D843-D845 PolarHBondContact OD1-N 2.94Å; D843-D845 VanDerWaalsContact OD1-N 3.09Å; D845-K847 PolarHBondContact O-N 3.46Å; D845-N876 PolarHBondContact OD1-N 3.39Å; D845-N876 WeakPolarHBondContact OD2-CB 3.15Å; D845-I879 HydrophobicContact CB-CD1 3.57Å |
| 846 | I | 95.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 11% | 0.108 | 17% | 0.169 | C | C | . | . | trans | -57.3 | 135.7 | 176 | -165 | 159.7 | 0 | 0 | 0 | 110.7 | D806 P820 D843 T853 | D806-I846 HydrophobicContact CB-CD1 3.63Å; P820-I846 HydrophobicContact CB-CD1 3.78Å; P820-I846 HydrophobicContact CB-CG1 4.08Å; P820-I846 HydrophobicContact CB-CG2 3.81Å; P820-I846 HydrophobicContact CG-CD1 3.85Å; P820-I846 HydrophobicContact CG-CG1 3.75Å; P820-I846 HydrophobicContact CG-CG2 4.05Å; D843-I846 HydrophobicContact CB-CB 4.14Å; D843-I846 WeakPolarHBondContact O-CB 3.49Å; D843-I846 VanDerWaalsContact O-CG2 3.26Å; D843-I846 WeakPolarHBondContact O-CG2 3.26Å; D843-I846 PolarHBondContact O-N 3.05Å; I846-T853 WeakPolarHBondContact O-CA 3.35Å | ||
| 847 | K | 93.7 | Very high | 95.3 | Very high | 90 Ų | 90 | 31.9 Ų | 31.9 | 39% | 0.391 | 17% | 0.169 | S | C | . | . | B | Isolated β-bridge | trans | -105.1 | 138.5 | -177.4 | -58.6 | -175.1 | -177.2 | -155.2 | 0 | 111.7 | K808 D845 G851 R852 T853 I879 | K808-K847 WeakPolarHBondContact CE-O 3.46Å; K808-K847 PolarHBondContact NZ-O 3.13Å; D845-K847 PolarHBondContact O-N 3.46Å; K847-G851 WeakPolarHBondContact CD-O 3.46Å; K847-R852 CarbonylContact C-O 3.49Å; K847-R852 WeakPolarHBondContact CA-O 3.48Å; K847-T853 HydrophobicContact CG-CG2 4.05Å; K847-I879 HydrophobicContact CD-CG2 4.41Å |
| 848 | D | 92.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | trans | -71.9 | -175 | 162.4 | 70.8 | 15.3 | 0 | 0 | 0 | 111.4 | Y819 I823 R850 G851 R852 H857 | Y819-D848 HydrophobicContact CD1-CB 3.7Å; Y819-D848 HydrophobicContact CE1-CB 3.95Å; Y819-D848 WeakPolarHBondContact CE1-OD2 3.33Å; I823-D848 HydrophobicContact CD1-CB 3.98Å; D848-R850 PolarHBondContact O-N 3.17Å; D848-R850 WeakPolarHBondContact OD1-CA 3.39Å; D848-R850 WeakPolarHBondContact OD1-CB 3.38Å; D848-R850 PolarHBondContact OD1-N 3.04Å; D848-G851 PolarHBondContact O-N 2.94Å; D848-G851 VanDerWaalsContact O-N 3.08Å; D848-G851 PolarHBondContact OD1-N 3.2Å; D848-G851 VanDerWaalsContact OD1-N 3.11Å; D848-R852 PolarHBondContact N-O 2.97Å; D848-R852 WeakPolarHBondContact OD1-CB 3.42Å; D848-R852 PolarHBondContact OD1-N 3.44Å; D848-H857 IonicContact OD2-CD2 3.03Å; D848-H857 IonicContact OD2-CE1 3.79Å; D848-H857 PolarHBondContact OD2-CE1 2.88Å; D848-H857 IonicContact OD2-NE2 3.67Å; D848-H857 PolarHBondContact OD2-NE2 3.2Å | ||
| 849 | D | 90.3 | Very high | 95 | Very high | 107 Ų | 107 | 30.7 Ų | 30.7 | 57% | 0.572 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -13 | -175.7 | -56 | -20 | 0 | 0 | 0 | 112.6 | K808 G851 N882 | K808-D849 IonicContact NZ-OD1 3.06Å; K808-D849 PolarHBondContact NZ-OD1 3.43Å; D849-G851 VanDerWaalsContact C-N 3.31Å; D849-N882 PolarHBondContact O-ND2 3.02Å; D849-N882 VanDerWaalsContact O-ND2 3.17Å |
| 850 | R | 91.1 | Very high | 94.9 | Very high | 109 Ų | 109 | 33.3 Ų | 33.3 | 41% | 0.411 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.3 | 169.8 | -58.1 | -171.1 | -172.4 | -159.2 | 6.3 | 112.4 | D848 R852 N882 D952 | D848-R850 PolarHBondContact O-N 3.17Å; D848-R850 WeakPolarHBondContact OD1-CA 3.39Å; D848-R850 WeakPolarHBondContact OD1-CB 3.38Å; D848-R850 PolarHBondContact OD1-N 3.04Å; R850-R852 HydrophobicContact CB-CG 4.28Å; R850-R852 PolarHBondContact O-N 3.35Å; R850-N882 VanDerWaalsContact C-ND2 3.31Å; R850-N882 WeakPolarHBondContact CA-ND2 3.4Å; R850-N882 WeakPolarHBondContact O-CB 3.45Å; R850-N882 PolarHBondContact O-N 3.5Å; R850-N882 PolarHBondContact O-ND2 3.13Å; R850-N882 PolarHBondContact O-OD1 3.47Å; R850-D952 IonicContact CZ-OD1 3.79Å; R850-D952 IonicContact NH2-OD1 2.83Å; R850-D952 PolarHBondContact NH2-OD1 3.12Å |
| 851 | G | 93.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 76.8 | 6.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K847 D848 D849 | K847-G851 WeakPolarHBondContact CD-O 3.46Å; D848-G851 PolarHBondContact O-N 2.94Å; D848-G851 VanDerWaalsContact O-N 3.08Å; D848-G851 PolarHBondContact OD1-N 3.2Å; D848-G851 VanDerWaalsContact OD1-N 3.11Å; D849-G851 VanDerWaalsContact C-N 3.31Å |
| 852 | R | 95.8 | Very high | 94.4 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 13% | 0.125 | 16% | 0.164 | C | C | . | . | trans | -86.2 | 139.7 | -176.5 | -66 | 179.4 | 178.1 | 167.2 | 9.2 | 111.1 | I823 K847 D848 R850 H856 D881 D883 | I823-R852 WeakPolarHBondContact CD1-O 3.42Å; K847-R852 CarbonylContact C-O 3.49Å; K847-R852 WeakPolarHBondContact CA-O 3.48Å; D848-R852 PolarHBondContact N-O 2.97Å; D848-R852 WeakPolarHBondContact OD1-CB 3.42Å; D848-R852 PolarHBondContact OD1-N 3.44Å; R850-R852 HydrophobicContact CB-CG 4.28Å; R850-R852 PolarHBondContact O-N 3.35Å; R852-H856 HydrophobicContact CB-CB 3.86Å; R852-H856 HydrophobicContact CG-CB 4.21Å; R852-D881 HydrophobicContact CB-CB 4.49Å; R852-D881 HydrophobicContact CG-CB 3.47Å; R852-D881 VanDerWaalsContact CG-CB 3.47Å; R852-D881 IonicContact CZ-OD2 2.64Å; R852-D881 IonicContact NE-OD2 2.61Å; R852-D881 PolarHBondContact NE-OD2 3.39Å; R852-D881 IonicContact NH2-OD2 3.07Å; R852-D881 PolarHBondContact NH2-OD2 2.88Å; R852-D883 IonicContact NH2-OD2 3.21Å; R852-D883 PolarHBondContact NH2-OD2 3.18Å | ||
| 853 | T | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -95.5 | 170 | 177.1 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | I846 K847 L855 H856 H857 I879 | I846-T853 WeakPolarHBondContact O-CA 3.35Å; K847-T853 HydrophobicContact CG-CG2 4.05Å; T853-L855 PolarHBondContact O-N 3.4Å; T853-L855 VanDerWaalsContact O-N 3.11Å; T853-L855 PolarHBondContact OG1-N 3.36Å; T853-H856 PolarHBondContact N-ND1 2.94Å; T853-H856 VanDerWaalsContact N-ND1 3.17Å; T853-H856 WeakPolarHBondContact O-CB 3.5Å; T853-H856 PolarHBondContact O-N 2.97Å; T853-H856 PolarHBondContact OG1-ND1 3.01Å; T853-H857 PolarHBondContact O-CD2 3.27Å; T853-H857 PolarHBondContact O-N 2.86Å; T853-I879 HydrophobicContact CG2-CB 4.28Å; T853-I879 HydrophobicContact CG2-CD1 3.93Å; T853-I879 HydrophobicContact CG2-CG2 3.78Å |
| 854 | A | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -51.2 | -35.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | L822 I823 H857 A858 L870 | L822-A854 HydrophobicContact CD2-CB 4.07Å; L822-A854 HydrophobicContact CG-CB 3.91Å; I823-A854 HydrophobicContact CG1-CB 4.23Å; A854-H857 PolarHBondContact O-N 2.96Å; A854-A858 WeakPolarHBondContact O-CB 3.41Å; A854-A858 PolarHBondContact O-N 2.92Å; A854-L870 HydrophobicContact CB-CD1 3.97Å; A854-L870 HydrophobicContact CB-CD2 4.17Å |
| 855 | L | 97.4 | Very high | 93 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68 | -36.4 | 177.2 | -174.3 | 60.8 | 0 | 0 | 0 | 112.6 | T853 A858 C859 V867 L870 L871 A875 Q877 P887 L903 | T853-L855 PolarHBondContact O-N 3.4Å; T853-L855 VanDerWaalsContact O-N 3.11Å; T853-L855 PolarHBondContact OG1-N 3.36Å; L855-A858 PolarHBondContact O-N 3.26Å; L855-C859 PolarHBondContact O-N 3.06Å; L855-C859 PolarHBondContact O-SG 3.36Å; L855-V867 HydrophobicContact CD1-CB 4.4Å; L855-V867 HydrophobicContact CD1-CG1 4.08Å; L855-V867 HydrophobicContact CD1-CG2 4.28Å; L855-L870 HydrophobicContact CB-CD1 4.26Å; L855-L870 HydrophobicContact CD1-CB 4.2Å; L855-L870 HydrophobicContact CD1-CD1 4.35Å; L855-L871 HydrophobicContact CD1-CD2 4.34Å; L855-L871 HydrophobicContact CD1-CG 4.35Å; L855-L871 HydrophobicContact CD2-CD2 3.87Å; L855-A875 HydrophobicContact CB-CB 4.46Å; L855-A875 HydrophobicContact CD2-CB 4.17Å; L855-Q877 HydrophobicContact CD2-CB 3.82Å; L855-P887 HydrophobicContact CB-CG 4.43Å; L855-P887 HydrophobicContact CD2-CB 4.14Å; L855-P887 HydrophobicContact CD2-CG 3.96Å; L855-P887 HydrophobicContact CG-CB 3.94Å; L855-P887 HydrophobicContact CG-CG 4.02Å; L855-L903 HydrophobicContact CD1-CD2 4.48Å; L855-L903 HydrophobicContact CD2-CD2 4.21Å |
| 856 | H | 97 | Very high | 92.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 172.8 | -70.3 | 81.4 | 0 | 0 | 0 | 110.9 | R852 T853 C859 Q860 I879 K885 P887 | R852-H856 HydrophobicContact CB-CB 3.86Å; R852-H856 HydrophobicContact CG-CB 4.21Å; T853-H856 PolarHBondContact N-ND1 2.94Å; T853-H856 VanDerWaalsContact N-ND1 3.17Å; T853-H856 WeakPolarHBondContact O-CB 3.5Å; T853-H856 PolarHBondContact O-N 2.97Å; T853-H856 PolarHBondContact OG1-ND1 3.01Å; H856-C859 PolarHBondContact O-N 2.9Å; H856-Q860 WeakPolarHBondContact O-CB 3.31Å; H856-Q860 PolarHBondContact O-N 3.09Å; H856-I879 PolarHBondContact CE1-O 2.97Å; H856-I879 PolarHBondContact NE2-O 3.24Å; H856-K885 PolarHBondContact NE2-O 2.84Å; H856-P887 WeakPolarHBondContact NE2-CD 3.11Å |
| 857 | H | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 178.2 | -74.1 | -97.9 | 0 | 0 | 0 | 111.1 | Y819 I823 R827 D848 T853 A854 C859 Q860 F861 | Y819-H857 AromaticContact CE1-CE1 3.63Å; I823-H857 HydrophobicContact CG2-CB 4.39Å; I823-H857 VanDerWaalsContact CG2-CD2 3.44Å; I823-H857 WeakPolarHBondContact CG2-CD2 3.4Å; I823-H857 WeakPolarHBondContact CG2-NE2 3.47Å; R827-H857 HydrophobicContact CG-CB 4.12Å; R827-H857 PolarHBondContact NH1-CE1 2.91Å; R827-H857 VanDerWaalsContact NH1-CE1 3.32Å; R827-H857 PolarHBondContact NH1-ND1 3.39Å; D848-H857 IonicContact OD2-CD2 3.03Å; D848-H857 IonicContact OD2-CE1 3.79Å; D848-H857 PolarHBondContact OD2-CE1 2.88Å; D848-H857 IonicContact OD2-NE2 3.67Å; D848-H857 PolarHBondContact OD2-NE2 3.2Å; T853-H857 PolarHBondContact O-CD2 3.27Å; T853-H857 PolarHBondContact O-N 2.86Å; A854-H857 PolarHBondContact O-N 2.96Å; H857-C859 VanDerWaalsContact C-N 3.28Å; H857-C859 PolarHBondContact O-N 3.4Å; H857-Q860 PolarHBondContact O-N 3.43Å; H857-Q860 VanDerWaalsContact O-N 3.14Å; H857-F861 VanDerWaalsContact O-CD2 3.31Å; H857-F861 WeakPolarHBondContact O-CD2 3.31Å; H857-F861 PolarHBondContact O-N 3.43Å |
| 858 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A854 L855 G862 R863 L866 V867 L870 | A854-A858 WeakPolarHBondContact O-CB 3.41Å; A854-A858 PolarHBondContact O-N 2.92Å; L855-A858 PolarHBondContact O-N 3.26Å; A858-G862 PolarHBondContact O-N 3.35Å; A858-R863 HydrophobicContact CB-CB 4.46Å; A858-R863 PolarHBondContact O-N 3.48Å; A858-L866 HydrophobicContact CB-CB 3.98Å; A858-V867 HydrophobicContact CB-CG2 3.8Å; A858-L870 HydrophobicContact CB-CD1 4.06Å |
| 859 | C | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.8 | -44.5 | 173.2 | -63.9 | 0 | 0 | 0 | 0 | 112 | L855 H856 H857 F861 G862 V890 A891 I899 | L855-C859 PolarHBondContact O-N 3.06Å; L855-C859 PolarHBondContact O-SG 3.36Å; H856-C859 PolarHBondContact O-N 2.9Å; H857-C859 VanDerWaalsContact C-N 3.28Å; H857-C859 PolarHBondContact O-N 3.4Å; C859-F861 VanDerWaalsContact C-N 3.33Å; C859-F861 PolarHBondContact O-N 3.04Å; C859-G862 PolarHBondContact O-N 3.41Å; C859-G862 VanDerWaalsContact O-N 3.15Å; C859-V890 HydrophobicContact CB-CB 4.46Å; C859-V890 HydrophobicContact CB-CG1 4.18Å; C859-A891 HydrophobicContact CB-CB 4.42Å; C859-I899 HydrophobicContact CB-CG2 4.26Å; C859-I899 VanDerWaalsContact SG-CG2 3.59Å |
| 860 | Q | 93.8 | Very high | 92.4 | Very high | 72 Ų | 72 | 18.4 Ų | 18.4 | 34% | 0.336 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -59.4 | -42.8 | -179.2 | -173.9 | 178.5 | 1.8 | 0 | 0 | 112.2 | H856 H857 G862 V890 L894 | H856-Q860 WeakPolarHBondContact O-CB 3.31Å; H856-Q860 PolarHBondContact O-N 3.09Å; H857-Q860 PolarHBondContact O-N 3.43Å; H857-Q860 VanDerWaalsContact O-N 3.14Å; Q860-G862 VanDerWaalsContact C-N 3.31Å; Q860-V890 HydrophobicContact CB-CG1 4.11Å; Q860-L894 VanDerWaalsContact CA-CD1 3.5Å; Q860-L894 VanDerWaalsContact O-CD1 3.22Å; Q860-L894 WeakPolarHBondContact O-CD1 3.25Å |
| 861 | F | 89.7 | Confident | 92.4 | Very high | 53 Ų | 53 | 13.3 Ų | 13.3 | 23% | 0.232 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10.2 | -179.8 | -72.7 | -83.4 | 0 | 0 | 0 | 113.4 | R827 H857 C859 R863 | R827-F861 HydrophobicContact CB-CE2 4.28Å; R827-F861 HydrophobicContact CG-CD2 4.23Å; R827-F861 HydrophobicContact CG-CE2 3.82Å; H857-F861 VanDerWaalsContact O-CD2 3.31Å; H857-F861 WeakPolarHBondContact O-CD2 3.31Å; H857-F861 PolarHBondContact O-N 3.43Å; C859-F861 VanDerWaalsContact C-N 3.33Å; C859-F861 PolarHBondContact O-N 3.04Å; F861-R863 HydrophobicContact CB-CG 3.78Å; F861-R863 PolarHBondContact O-N 3.04Å; F861-R863 VanDerWaalsContact O-N 3.16Å |
| 862 | G | 88.7 | Confident | 92.1 | Very high | 30 Ų | 30 | 16.9 Ų | 16.9 | 31% | 0.309 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 24.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A858 C859 Q860 V864 N896 | A858-G862 PolarHBondContact O-N 3.35Å; C859-G862 PolarHBondContact O-N 3.41Å; C859-G862 VanDerWaalsContact O-N 3.15Å; Q860-G862 VanDerWaalsContact C-N 3.31Å; G862-V864 VanDerWaalsContact C-N 3.35Å; G862-V864 PolarHBondContact O-N 2.96Å; G862-N896 WeakPolarHBondContact CA-ND2 3.44Å |
| 863 | R | 88 | Confident | 91.8 | Very high | 46 Ų | 46 | 18.7 Ų | 18.7 | 17% | 0.174 | 9% | 0.087 | C | C | . | . | trans | -82.2 | 74.8 | -174.7 | -54.7 | -59.7 | -171.6 | -172.7 | -2.9 | 111 | A858 F861 H865 L866 V867 | A858-R863 HydrophobicContact CB-CB 4.46Å; A858-R863 PolarHBondContact O-N 3.48Å; F861-R863 HydrophobicContact CB-CG 3.78Å; F861-R863 PolarHBondContact O-N 3.04Å; F861-R863 VanDerWaalsContact O-N 3.16Å; R863-H865 VanDerWaalsContact C-N 3.29Å; R863-H865 PolarHBondContact O-N 3.18Å; R863-L866 HydrophobicContact CB-CB 3.99Å; R863-L866 HydrophobicContact CB-CD1 4.02Å; R863-L866 HydrophobicContact CB-CG 4.24Å; R863-L866 HydrophobicContact CG-CD1 4.32Å; R863-L866 PolarHBondContact O-N 3.13Å; R863-V867 PolarHBondContact O-N 3.18Å | ||
| 864 | V | 87.6 | Confident | 91.5 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 9% | 0.085 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -50.5 | -45.7 | -176.8 | -178.3 | 0 | 0 | 0 | 0 | 112.4 | G862 L866 V867 C868 D898 I899 L902 F931 T935 | G862-V864 VanDerWaalsContact C-N 3.35Å; G862-V864 PolarHBondContact O-N 2.96Å; V864-L866 VanDerWaalsContact C-N 3.33Å; V864-L866 PolarHBondContact O-N 3.31Å; V864-V867 WeakPolarHBondContact O-CB 3.41Å; V864-V867 PolarHBondContact O-N 2.84Å; V864-C868 PolarHBondContact O-N 3.32Å; V864-D898 HydrophobicContact CG1-CB 4.47Å; V864-D898 HydrophobicContact CG2-CB 4.23Å; V864-I899 HydrophobicContact CG2-CD1 4.32Å; V864-I899 HydrophobicContact CG2-CG1 3.89Å; V864-L902 HydrophobicContact CG1-CD1 3.64Å; V864-F931 HydrophobicContact CG1-CD1 3.89Å; V864-T935 HydrophobicContact CB-CG2 4.29Å |
| 865 | H | 83.2 | Confident | 91.4 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.102 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -38.3 | 178.1 | 50 | -70.6 | 0 | 0 | 0 | 113.5 | G829 I831 R863 C868 L869 T935 Y936 | G829-H865 PolarHBondContact O-NE2 3.41Å; I831-H865 HydrophobicContact CD1-CB 4.41Å; R863-H865 VanDerWaalsContact C-N 3.29Å; R863-H865 PolarHBondContact O-N 3.18Å; H865-C868 WeakPolarHBondContact O-CB 3.45Å; H865-C868 PolarHBondContact O-N 2.85Å; H865-L869 WeakPolarHBondContact O-CB 3.47Å; H865-L869 PolarHBondContact O-N 3.38Å; H865-T935 WeakPolarHBondContact CB-OG1 3.44Å; H865-Y936 HydrophobicContact CB-CD2 4.39Å; H865-Y936 HydrophobicContact CB-CE2 4.29Å |
| 866 | L | 90.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -75 | -34 | 177.3 | -72.5 | -177.7 | 0 | 0 | 0 | 112 | S826 I831 C834 A858 R863 V864 C868 L869 L870 | S826-L866 WeakPolarHBondContact O-CD1 3.38Å; I831-L866 HydrophobicContact CG1-CD2 4.16Å; C834-L866 HydrophobicContact CB-CD2 4.18Å; A858-L866 HydrophobicContact CB-CB 3.98Å; R863-L866 HydrophobicContact CB-CB 3.99Å; R863-L866 HydrophobicContact CB-CD1 4.02Å; R863-L866 HydrophobicContact CB-CG 4.24Å; R863-L866 HydrophobicContact CG-CD1 4.32Å; R863-L866 PolarHBondContact O-N 3.13Å; V864-L866 VanDerWaalsContact C-N 3.33Å; V864-L866 PolarHBondContact O-N 3.31Å; L866-C868 VanDerWaalsContact C-N 3.33Å; L866-L869 HydrophobicContact CD2-CD2 3.9Å; L866-L869 PolarHBondContact O-N 3.06Å; L866-L870 WeakPolarHBondContact O-CB 3.3Å; L866-L870 VanDerWaalsContact O-CG 3.22Å; L866-L870 WeakPolarHBondContact O-CG 3.43Å; L866-L870 PolarHBondContact O-N 3.43Å |
| 867 | V | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 169.3 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | L855 A858 R863 V864 L869 L870 L871 I899 L902 | L855-V867 HydrophobicContact CD1-CB 4.4Å; L855-V867 HydrophobicContact CD1-CG1 4.08Å; L855-V867 HydrophobicContact CD1-CG2 4.28Å; A858-V867 HydrophobicContact CB-CG2 3.8Å; R863-V867 PolarHBondContact O-N 3.18Å; V864-V867 WeakPolarHBondContact O-CB 3.41Å; V864-V867 PolarHBondContact O-N 2.84Å; V867-L869 PolarHBondContact O-N 3.31Å; V867-L870 PolarHBondContact O-N 3.46Å; V867-L871 HydrophobicContact CG1-CD1 3.71Å; V867-L871 HydrophobicContact CG1-CG 4.28Å; V867-L871 WeakPolarHBondContact O-CB 3.4Å; V867-L871 VanDerWaalsContact O-CG 3.23Å; V867-L871 WeakPolarHBondContact O-CG 3.45Å; V867-L871 PolarHBondContact O-N 3.28Å; V867-I899 HydrophobicContact CG1-CG2 4.3Å; V867-I899 HydrophobicContact CG2-CD1 4.1Å; V867-I899 HydrophobicContact CG2-CG1 4.31Å; V867-I899 HydrophobicContact CG2-CG2 4.1Å; V867-L902 HydrophobicContact CG1-CB 4.36Å; V867-L902 HydrophobicContact CG1-CD1 4.32Å |
| 868 | C | 89.3 | Confident | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 174.6 | -76.1 | 0 | 0 | 0 | 0 | 112.5 | V864 H865 L866 R872 L902 F928 | V864-C868 PolarHBondContact O-N 3.32Å; H865-C868 WeakPolarHBondContact O-CB 3.45Å; H865-C868 PolarHBondContact O-N 2.85Å; L866-C868 VanDerWaalsContact C-N 3.33Å; C868-R872 WeakPolarHBondContact O-CB 3.35Å; C868-R872 WeakPolarHBondContact O-CG 3.27Å; C868-R872 PolarHBondContact O-N 2.82Å; C868-L902 WeakPolarHBondContact SG-CD1 3.39Å; C868-L902 VanDerWaalsContact SG-CD2 3.58Å; C868-F928 HydrophobicContact CB-CD1 4.19Å; C868-F928 HydrophobicContact CB-CE1 4.43Å |
| 869 | L | 89.1 | Confident | 91.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -53.6 | 178.8 | 168.2 | 63.5 | 0 | 0 | 0 | 111.3 | E615 C834 E835 H865 L866 V867 L871 R872 R873 | E615-L869 HydrophobicContact CB-CD1 4.07Å; E615-L869 HydrophobicContact CG-CD1 3.82Å; C834-L869 HydrophobicContact CB-CD2 3.8Å; E835-L869 HydrophobicContact CB-CD2 4.46Å; E835-L869 WeakPolarHBondContact OE2-CD1 3.21Å; H865-L869 WeakPolarHBondContact O-CB 3.47Å; H865-L869 PolarHBondContact O-N 3.38Å; L866-L869 HydrophobicContact CD2-CD2 3.9Å; L866-L869 PolarHBondContact O-N 3.06Å; V867-L869 PolarHBondContact O-N 3.31Å; L869-L871 PolarHBondContact O-N 2.99Å; L869-R872 PolarHBondContact O-N 3.42Å; L869-R873 HydrophobicContact CD1-CG 4.06Å; L869-R873 VanDerWaalsContact O-CG 3.28Å; L869-R873 WeakPolarHBondContact O-CG 3.48Å; L869-R873 PolarHBondContact O-N 2.88Å |
| 870 | L | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -42.3 | -176.5 | -70.1 | 169.4 | 0 | 0 | 0 | 111.4 | L838 I844 A854 L855 A858 L866 V867 R873 R874 A875 | L838-L870 HydrophobicContact CD1-CD2 4.36Å; I844-L870 HydrophobicContact CD1-CD2 4.49Å; I844-L870 HydrophobicContact CG1-CD2 4.17Å; A854-L870 HydrophobicContact CB-CD1 3.97Å; A854-L870 HydrophobicContact CB-CD2 4.17Å; L855-L870 HydrophobicContact CB-CD1 4.26Å; L855-L870 HydrophobicContact CD1-CB 4.2Å; L855-L870 HydrophobicContact CD1-CD1 4.35Å; A858-L870 HydrophobicContact CB-CD1 4.06Å; L866-L870 WeakPolarHBondContact O-CB 3.3Å; L866-L870 VanDerWaalsContact O-CG 3.22Å; L866-L870 WeakPolarHBondContact O-CG 3.43Å; L866-L870 PolarHBondContact O-N 3.43Å; V867-L870 PolarHBondContact O-N 3.46Å; L870-R873 CarbonylContact O-C 3.54Å; L870-R873 PolarHBondContact O-N 2.96Å; L870-R874 PolarHBondContact O-N 3.01Å; L870-R874 VanDerWaalsContact O-N 3.15Å; L870-A875 HydrophobicContact CB-CB 3.89Å; L870-A875 VanDerWaalsContact O-CB 3.24Å; L870-A875 WeakPolarHBondContact O-CB 3.47Å; L870-A875 PolarHBondContact O-N 2.63Å |
| 871 | L | 91.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 175.9 | -66.6 | 175.4 | 0 | 0 | 0 | 112.4 | L855 V867 L869 R873 R874 Q877 L902 L903 Q906 F928 | L855-L871 HydrophobicContact CD1-CD2 4.34Å; L855-L871 HydrophobicContact CD1-CG 4.35Å; L855-L871 HydrophobicContact CD2-CD2 3.87Å; V867-L871 HydrophobicContact CG1-CD1 3.71Å; V867-L871 HydrophobicContact CG1-CG 4.28Å; V867-L871 WeakPolarHBondContact O-CB 3.4Å; V867-L871 VanDerWaalsContact O-CG 3.23Å; V867-L871 WeakPolarHBondContact O-CG 3.45Å; V867-L871 PolarHBondContact O-N 3.28Å; L869-L871 PolarHBondContact O-N 2.99Å; L871-R873 PolarHBondContact O-N 3.4Å; L871-R874 WeakPolarHBondContact O-CA 3.36Å; L871-R874 PolarHBondContact O-N 3.07Å; L871-Q877 HydrophobicContact CD2-CB 4.31Å; L871-L902 HydrophobicContact CD1-CB 4.44Å; L871-L903 HydrophobicContact CD1-CD2 4.02Å; L871-L903 HydrophobicContact CD2-CD2 4.04Å; L871-Q906 HydrophobicContact CB-CG 4.31Å; L871-Q906 HydrophobicContact CD1-CB 4.2Å; L871-Q906 HydrophobicContact CD1-CG 4.45Å; L871-Q906 HydrophobicContact CD2-CG 4.21Å; L871-F928 HydrophobicContact CB-CE1 3.94Å; L871-F928 HydrophobicContact CB-CZ 4.03Å; L871-F928 HydrophobicContact CD1-CE1 4.31Å; L871-F928 HydrophobicContact CD1-CZ 4.07Å |
| 872 | R | 86.8 | Confident | 91.5 | Very high | 80 Ų | 80 | 42.2 Ų | 42.2 | 30% | 0.302 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.4 | -31.9 | 173.1 | -80.7 | 166.5 | 63.1 | 99 | -5.9 | 112.3 | E615 C868 L869 R874 F928 | E615-R872 IonicContact OE1-CZ 3.78Å; E615-R872 IonicContact OE1-NE 2.62Å; E615-R872 PolarHBondContact OE1-NE 3.39Å; E615-R872 IonicContact OE1-NH2 2.8Å; E615-R872 PolarHBondContact OE1-NH2 3.33Å; E615-R872 IonicContact OE2-NH2 3.82Å; C868-R872 WeakPolarHBondContact O-CB 3.35Å; C868-R872 WeakPolarHBondContact O-CG 3.27Å; C868-R872 PolarHBondContact O-N 2.82Å; L869-R872 PolarHBondContact O-N 3.42Å; R872-R874 PolarHBondContact O-N 3.21Å; R872-F928 HydrophobicContact CG-CD1 4.04Å; R872-F928 HydrophobicContact CG-CE1 4.35Å |
| 873 | R | 90.3 | Very high | 91.8 | Very high | 72 Ų | 72 | 46 Ų | 46 | 27% | 0.272 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7.3 | 173.7 | -59.4 | -63.9 | -176.8 | -145.5 | -4.6 | 113.2 | Q613 E835 L838 I844 L869 L870 L871 | Q613-R873 VanDerWaalsContact OE1-NH1 3.09Å; Q613-R873 VanDerWaalsContact OE1-NH2 3.15Å; E835-R873 IonicContact OE1-CZ 2.73Å; E835-R873 IonicContact OE1-NE 3.21Å; E835-R873 PolarHBondContact OE1-NE 2.86Å; E835-R873 IonicContact OE1-NH2 3.24Å; E835-R873 PolarHBondContact OE1-NH2 3.12Å; E835-R873 IonicContact OE2-CZ 3.9Å; E835-R873 IonicContact OE2-NE 2.84Å; E835-R873 PolarHBondContact OE2-NE 3.24Å; E835-R873 IonicContact OE2-NH2 3.04Å; E835-R873 PolarHBondContact OE2-NH2 2.8Å; L838-R873 HydrophobicContact CD1-CB 4.29Å; L838-R873 HydrophobicContact CD1-CG 4.01Å; I844-R873 HydrophobicContact CD1-CB 3.45Å; I844-R873 VanDerWaalsContact CD1-CB 3.45Å; I844-R873 VanDerWaalsContact CD1-O 3.27Å; I844-R873 WeakPolarHBondContact CD1-O 3.48Å; L869-R873 HydrophobicContact CD1-CG 4.06Å; L869-R873 VanDerWaalsContact O-CG 3.28Å; L869-R873 WeakPolarHBondContact O-CG 3.48Å; L869-R873 PolarHBondContact O-N 2.88Å; L870-R873 CarbonylContact O-C 3.54Å; L870-R873 PolarHBondContact O-N 2.96Å; L871-R873 PolarHBondContact O-N 3.4Å |
| 874 | R | 90.4 | Very high | 92.1 | Very high | 209 Ų | 209 | 45.8 Ų | 45.8 | 79% | 0.789 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 37.9 | 175.9 | -51.3 | -176.6 | 178.7 | -155.9 | -1.5 | 114.7 | L870 L871 R872 N876 | L870-R874 PolarHBondContact O-N 3.01Å; L870-R874 VanDerWaalsContact O-N 3.15Å; L871-R874 WeakPolarHBondContact O-CA 3.36Å; L871-R874 PolarHBondContact O-N 3.07Å; R872-R874 PolarHBondContact O-N 3.21Å; R874-N876 PolarHBondContact O-N 3.07Å |
| 875 | A | 94.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | trans | -57.6 | 135.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I844 L855 L870 Q877 | I844-A875 HydrophobicContact CD1-CB 3.75Å; I844-A875 HydrophobicContact CG1-CB 3.8Å; L855-A875 HydrophobicContact CB-CB 4.46Å; L855-A875 HydrophobicContact CD2-CB 4.17Å; L870-A875 HydrophobicContact CB-CB 3.89Å; L870-A875 VanDerWaalsContact O-CB 3.24Å; L870-A875 WeakPolarHBondContact O-CB 3.47Å; L870-A875 PolarHBondContact O-N 2.63Å; A875-Q877 PolarHBondContact O-N 3.32Å; A875-Q877 VanDerWaalsContact O-N 3.16Å | ||
| 876 | N | 94.1 | Very high | 93 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | trans | -79.8 | 103.1 | -178.2 | -175.6 | -5.6 | 0 | 0 | 0 | 111 | D845 R874 L878 I879 | D845-N876 PolarHBondContact OD1-N 3.39Å; D845-N876 WeakPolarHBondContact OD2-CB 3.15Å; R874-N876 PolarHBondContact O-N 3.07Å; N876-L878 PolarHBondContact O-N 2.9Å; N876-L878 WeakPolarHBondContact OD1-CB 3.49Å; N876-L878 PolarHBondContact OD1-N 3.19Å; N876-I879 HydrophobicContact CB-CD1 3.86Å; N876-I879 HydrophobicContact CB-CG1 4.02Å; N876-I879 PolarHBondContact O-N 3.3Å | ||
| 877 | Q | 94.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 1.3 | 177.9 | 63.3 | 177.5 | -36.6 | 0 | 0 | 115.3 | L855 L871 A875 P887 L903 | L855-Q877 HydrophobicContact CD2-CB 3.82Å; L871-Q877 HydrophobicContact CD2-CB 4.31Å; A875-Q877 PolarHBondContact O-N 3.32Å; A875-Q877 VanDerWaalsContact O-N 3.16Å; Q877-P887 WeakPolarHBondContact O-CD 3.46Å; Q877-L903 HydrophobicContact CB-CD2 4.03Å; Q877-L903 PolarHBondContact OE1-O 3.33Å |
| 878 | L | 93.2 | Very high | 93.5 | Very high | 100 Ų | 100 | 48.6 Ų | 48.6 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -4 | 178.5 | -55.6 | 178.4 | 0 | 0 | 0 | 113.1 | N876 L880 | N876-L878 PolarHBondContact O-N 2.9Å; N876-L878 WeakPolarHBondContact OD1-CB 3.49Å; N876-L878 PolarHBondContact OD1-N 3.19Å; L878-L880 PolarHBondContact O-N 2.69Å |
| 879 | I | 95.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | trans | -64.7 | 129.1 | 175.6 | -70 | 175.1 | 0 | 0 | 0 | 108.6 | D845 K847 T853 H856 N876 P887 | D845-I879 HydrophobicContact CB-CD1 3.57Å; K847-I879 HydrophobicContact CD-CG2 4.41Å; T853-I879 HydrophobicContact CG2-CB 4.28Å; T853-I879 HydrophobicContact CG2-CD1 3.93Å; T853-I879 HydrophobicContact CG2-CG2 3.78Å; H856-I879 PolarHBondContact CE1-O 2.97Å; H856-I879 PolarHBondContact NE2-O 3.24Å; N876-I879 HydrophobicContact CB-CD1 3.86Å; N876-I879 HydrophobicContact CB-CG1 4.02Å; N876-I879 PolarHBondContact O-N 3.3Å; I879-P887 WeakPolarHBondContact O-CD 3.46Å | ||
| 880 | L | 96.6 | Very high | 94 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | trans | -96 | 143.2 | 173.7 | -53.1 | 179.5 | 0 | 0 | 0 | 110.1 | L878 K885 | L878-L880 PolarHBondContact O-N 2.69Å; L880-K885 WeakPolarHBondContact CA-O 3.25Å | ||
| 881 | D | 95.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | trans | -78 | -179.6 | 167.4 | 78.2 | -0.9 | 0 | 0 | 0 | 111.9 | R852 D883 G884 K885 | R852-D881 HydrophobicContact CB-CB 4.49Å; R852-D881 HydrophobicContact CG-CB 3.47Å; R852-D881 VanDerWaalsContact CG-CB 3.47Å; R852-D881 IonicContact CZ-OD2 2.64Å; R852-D881 IonicContact NE-OD2 2.61Å; R852-D881 PolarHBondContact NE-OD2 3.39Å; R852-D881 IonicContact NH2-OD2 3.07Å; R852-D881 PolarHBondContact NH2-OD2 2.88Å; D881-D883 PolarHBondContact O-N 3.48Å; D881-D883 WeakPolarHBondContact OD1-CA 3.43Å; D881-D883 WeakPolarHBondContact OD1-CB 3.4Å; D881-D883 PolarHBondContact OD1-N 2.9Å; D881-G884 PolarHBondContact O-N 2.96Å; D881-G884 PolarHBondContact OD1-N 3.29Å; D881-K885 PolarHBondContact N-O 2.79Å; D881-K885 WeakPolarHBondContact OD1-CB 3.47Å; D881-K885 PolarHBondContact OD1-N 2.95Å | ||
| 882 | N | 95.8 | Very high | 94 | Very high | 117 Ų | 117 | 55.9 Ų | 55.9 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.2 | -177.8 | -66.6 | -7.1 | 0 | 0 | 0 | 113.2 | D849 R850 | D849-N882 PolarHBondContact O-ND2 3.02Å; D849-N882 VanDerWaalsContact O-ND2 3.17Å; R850-N882 VanDerWaalsContact C-ND2 3.31Å; R850-N882 WeakPolarHBondContact CA-ND2 3.4Å; R850-N882 WeakPolarHBondContact O-CB 3.45Å; R850-N882 PolarHBondContact O-N 3.5Å; R850-N882 PolarHBondContact O-ND2 3.13Å; R850-N882 PolarHBondContact O-OD1 3.47Å |
| 883 | D | 94 | Very high | 94.3 | Very high | 108 Ų | 108 | 57.8 Ų | 57.8 | 58% | 0.578 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.8 | 174.6 | -56.9 | -42.4 | 0 | 0 | 0 | 111.7 | R852 D881 K885 | R852-D883 IonicContact NH2-OD2 3.21Å; R852-D883 PolarHBondContact NH2-OD2 3.18Å; D881-D883 PolarHBondContact O-N 3.48Å; D881-D883 WeakPolarHBondContact OD1-CA 3.43Å; D881-D883 WeakPolarHBondContact OD1-CB 3.4Å; D881-D883 PolarHBondContact OD1-N 2.9Å; D883-K885 VanDerWaalsContact C-N 3.29Å; D883-K885 HydrophobicContact CB-CD 4.41Å; D883-K885 HydrophobicContact CB-CG 4.18Å; D883-K885 PolarHBondContact O-N 3.29Å |
| 884 | G | 93.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 44% | 0.443 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 75.6 | 14.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D881 | D881-G884 PolarHBondContact O-N 2.96Å; D881-G884 PolarHBondContact OD1-N 3.29Å |
| 885 | K | 95.6 | Very high | 94.2 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | trans | -89.9 | 135 | -179.3 | -61.3 | -176.4 | -178.9 | -173 | 0 | 110.8 | H856 L880 D881 D883 D889 V890 E893 | H856-K885 PolarHBondContact NE2-O 2.84Å; L880-K885 WeakPolarHBondContact CA-O 3.25Å; D881-K885 PolarHBondContact N-O 2.79Å; D881-K885 WeakPolarHBondContact OD1-CB 3.47Å; D881-K885 PolarHBondContact OD1-N 2.95Å; D883-K885 VanDerWaalsContact C-N 3.29Å; D883-K885 HydrophobicContact CB-CD 4.41Å; D883-K885 HydrophobicContact CB-CG 4.18Å; D883-K885 PolarHBondContact O-N 3.29Å; K885-D889 HydrophobicContact CB-CB 4.21Å; K885-V890 HydrophobicContact CB-CG2 4.38Å; K885-E893 WeakPolarHBondContact CE-OE1 3.37Å; K885-E893 IonicContact NZ-OE1 3.92Å; K885-E893 PolarHBondContact NZ-OE1 3.4Å; K885-E893 IonicContact NZ-OE2 3.46Å; K885-E893 PolarHBondContact NZ-OE2 2.98Å | ||
| 886 | S | 95.5 | Very high | 93.7 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | trans | -85.9 | 166.7 | 167.2 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | L888 D889 V890 | S886-L888 PolarHBondContact O-N 3.16Å; S886-L888 PolarHBondContact OG-N 3.17Å; S886-D889 VanDerWaalsContact CB-OD2 3.27Å; S886-D889 WeakPolarHBondContact CB-OD2 3.48Å; S886-D889 PolarHBondContact N-OD2 2.71Å; S886-D889 WeakPolarHBondContact O-CB 3.44Å; S886-D889 PolarHBondContact O-N 2.69Å; S886-D889 VanDerWaalsContact OG-CG 3.24Å; S886-D889 PolarHBondContact OG-N 3.43Å; S886-D889 PolarHBondContact OG-OD2 3.27Å; S886-V890 PolarHBondContact O-N 2.73Å; S886-V890 VanDerWaalsContact O-N 3.09Å | ||
| 887 | P | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.5 | -32.5 | 171.4 | -25.6 | 34.8 | 0 | 0 | 0 | 113.4 | L855 H856 Q877 I879 A891 L903 | L855-P887 HydrophobicContact CB-CG 4.43Å; L855-P887 HydrophobicContact CD2-CB 4.14Å; L855-P887 HydrophobicContact CD2-CG 3.96Å; L855-P887 HydrophobicContact CG-CB 3.94Å; L855-P887 HydrophobicContact CG-CG 4.02Å; H856-P887 WeakPolarHBondContact NE2-CD 3.11Å; Q877-P887 WeakPolarHBondContact O-CD 3.46Å; I879-P887 WeakPolarHBondContact O-CD 3.46Å; P887-A891 WeakPolarHBondContact O-CB 3.32Å; P887-A891 PolarHBondContact O-N 2.75Å; P887-L903 HydrophobicContact CB-CD1 4.38Å |
| 888 | L | 95.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 57.9 Ų | 57.9 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.5 | -38.4 | 176.2 | 179.3 | 62.1 | 0 | 0 | 0 | 111.6 | S886 A891 L892 V900 L903 R904 | S886-L888 PolarHBondContact O-N 3.16Å; S886-L888 PolarHBondContact OG-N 3.17Å; L888-A891 PolarHBondContact O-N 3.27Å; L888-L892 HydrophobicContact CD1-CD1 4.43Å; L888-L892 HydrophobicContact CD1-CG 4.37Å; L888-L892 HydrophobicContact CG-CD1 4.12Å; L888-L892 WeakPolarHBondContact O-CB 3.19Å; L888-L892 VanDerWaalsContact O-CG 3.26Å; L888-L892 WeakPolarHBondContact O-CG 3.21Å; L888-L892 PolarHBondContact O-N 3.21Å; L888-V900 HydrophobicContact CD1-CB 4.49Å; L888-V900 HydrophobicContact CD1-CG1 4.13Å; L888-V900 HydrophobicContact CD1-CG2 4.42Å; L888-L903 HydrophobicContact CB-CD1 4.14Å; L888-L903 HydrophobicContact CD1-CB 4.15Å; L888-L903 HydrophobicContact CD1-CD1 4.21Å; L888-R904 HydrophobicContact CD1-CG 4.23Å; L888-R904 HydrophobicContact CD2-CG 4.44Å |
| 889 | D | 95.6 | Very high | 93 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.4 | -57.3 | -50.2 | 0 | 0 | 0 | 110.5 | K885 S886 A891 L892 E893 | K885-D889 HydrophobicContact CB-CB 4.21Å; S886-D889 VanDerWaalsContact CB-OD2 3.27Å; S886-D889 WeakPolarHBondContact CB-OD2 3.48Å; S886-D889 PolarHBondContact N-OD2 2.71Å; S886-D889 WeakPolarHBondContact O-CB 3.44Å; S886-D889 PolarHBondContact O-N 2.69Å; S886-D889 VanDerWaalsContact OG-CG 3.24Å; S886-D889 PolarHBondContact OG-N 3.43Å; S886-D889 PolarHBondContact OG-OD2 3.27Å; D889-A891 VanDerWaalsContact C-N 3.33Å; D889-A891 PolarHBondContact O-N 3.41Å; D889-L892 PolarHBondContact O-N 2.79Å; D889-E893 WeakPolarHBondContact O-CG 3.35Å; D889-E893 PolarHBondContact O-N 3.16Å |
| 890 | V | 93.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.3 | -45.8 | 173.2 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | C859 Q860 K885 S886 L892 E893 L894 | C859-V890 HydrophobicContact CB-CB 4.46Å; C859-V890 HydrophobicContact CB-CG1 4.18Å; Q860-V890 HydrophobicContact CB-CG1 4.11Å; K885-V890 HydrophobicContact CB-CG2 4.38Å; S886-V890 PolarHBondContact O-N 2.73Å; S886-V890 VanDerWaalsContact O-N 3.09Å; V890-L892 VanDerWaalsContact C-N 3.35Å; V890-L892 PolarHBondContact O-N 2.98Å; V890-E893 PolarHBondContact O-N 3.4Å; V890-L894 HydrophobicContact CG1-CD1 4.11Å; V890-L894 WeakPolarHBondContact O-CG 3.4Å; V890-L894 PolarHBondContact O-N 3.45Å; V890-L894 VanDerWaalsContact O-N 3.16Å |
| 891 | A | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -34.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C859 P887 L888 D889 A895 N896 I899 V900 L903 | C859-A891 HydrophobicContact CB-CB 4.42Å; P887-A891 WeakPolarHBondContact O-CB 3.32Å; P887-A891 PolarHBondContact O-N 2.75Å; L888-A891 PolarHBondContact O-N 3.27Å; D889-A891 VanDerWaalsContact C-N 3.33Å; D889-A891 PolarHBondContact O-N 3.41Å; A891-A895 PolarHBondContact O-N 3.18Å; A891-N896 PolarHBondContact O-N 3.47Å; A891-N896 VanDerWaalsContact O-N 3.07Å; A891-I899 HydrophobicContact CB-CB 4.22Å; A891-I899 HydrophobicContact CB-CG2 3.58Å; A891-V900 HydrophobicContact CB-CG2 3.82Å; A891-L903 HydrophobicContact CB-CD1 4.15Å |
| 892 | L | 93.6 | Very high | 92.2 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 41% | 0.414 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.1 | -41.4 | 176 | -74.7 | 169.3 | 0 | 0 | 0 | 112 | L888 D889 V890 L894 A895 V900 | L888-L892 HydrophobicContact CD1-CD1 4.43Å; L888-L892 HydrophobicContact CD1-CG 4.37Å; L888-L892 HydrophobicContact CG-CD1 4.12Å; L888-L892 WeakPolarHBondContact O-CB 3.19Å; L888-L892 VanDerWaalsContact O-CG 3.26Å; L888-L892 WeakPolarHBondContact O-CG 3.21Å; L888-L892 PolarHBondContact O-N 3.21Å; D889-L892 PolarHBondContact O-N 2.79Å; V890-L892 VanDerWaalsContact C-N 3.35Å; V890-L892 PolarHBondContact O-N 2.98Å; L892-L894 VanDerWaalsContact C-N 3.3Å; L892-L894 PolarHBondContact O-N 3.02Å; L892-A895 PolarHBondContact O-N 3.47Å; L892-A895 VanDerWaalsContact O-N 3.1Å; L892-V900 HydrophobicContact CD2-CG1 3.95Å; L892-V900 HydrophobicContact CD2-CG2 3.83Å; L892-V900 HydrophobicContact CG-CG2 4.09Å |
| 893 | E | 92.9 | Very high | 92.1 | Very high | 120 Ų | 120 | 46 Ų | 46 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 176.4 | -75.1 | -179.4 | 171.7 | 0 | 0 | 111.8 | K885 D889 V890 A895 | K885-E893 WeakPolarHBondContact CE-OE1 3.37Å; K885-E893 IonicContact NZ-OE1 3.92Å; K885-E893 PolarHBondContact NZ-OE1 3.4Å; K885-E893 IonicContact NZ-OE2 3.46Å; K885-E893 PolarHBondContact NZ-OE2 2.98Å; D889-E893 WeakPolarHBondContact O-CG 3.35Å; D889-E893 PolarHBondContact O-N 3.16Å; V890-E893 PolarHBondContact O-N 3.4Å; E893-A895 PolarHBondContact O-N 2.91Å |
| 894 | L | 90.5 | Very high | 91.9 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -0.6 | 176.8 | -64 | 173.4 | 0 | 0 | 0 | 113.7 | Q860 V890 L892 N896 | Q860-L894 VanDerWaalsContact CA-CD1 3.5Å; Q860-L894 VanDerWaalsContact O-CD1 3.22Å; Q860-L894 WeakPolarHBondContact O-CD1 3.25Å; V890-L894 HydrophobicContact CG1-CD1 4.11Å; V890-L894 WeakPolarHBondContact O-CG 3.4Å; V890-L894 PolarHBondContact O-N 3.45Å; V890-L894 VanDerWaalsContact O-N 3.16Å; L892-L894 VanDerWaalsContact C-N 3.3Å; L892-L894 PolarHBondContact O-N 3.02Å; L894-N896 PolarHBondContact O-N 3.3Å |
| 895 | A | 87.1 | Confident | 91.5 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 69% | 0.686 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A891 L892 E893 A897 | A891-A895 PolarHBondContact O-N 3.18Å; L892-A895 PolarHBondContact O-N 3.47Å; L892-A895 VanDerWaalsContact O-N 3.1Å; E893-A895 PolarHBondContact O-N 2.91Å; A895-A897 PolarHBondContact O-N 2.95Å |
| 896 | N | 85.8 | Confident | 91 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | trans | -85.9 | 92.7 | 179.7 | -165.9 | -33.3 | 0 | 0 | 0 | 110.8 | G862 A891 L894 D898 I899 V900 | G862-N896 WeakPolarHBondContact CA-ND2 3.44Å; A891-N896 PolarHBondContact O-N 3.47Å; A891-N896 VanDerWaalsContact O-N 3.07Å; L894-N896 PolarHBondContact O-N 3.3Å; N896-D898 VanDerWaalsContact C-N 3.32Å; N896-D898 PolarHBondContact O-N 3.31Å; N896-I899 HydrophobicContact CB-CB 4.28Å; N896-I899 HydrophobicContact CB-CD1 4.32Å; N896-I899 HydrophobicContact CB-CG1 4.4Å; N896-I899 VanDerWaalsContact ND2-CD1 3.31Å; N896-I899 WeakPolarHBondContact ND2-CD1 3.35Å; N896-I899 PolarHBondContact O-N 3.38Å; N896-V900 VanDerWaalsContact O-CG2 3.3Å; N896-V900 WeakPolarHBondContact O-CG2 3.15Å; N896-V900 PolarHBondContact O-N 3.39Å | ||
| 897 | A | 88.2 | Confident | 90.4 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 55% | 0.554 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.6 | -37.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | A895 T901 | A895-A897 PolarHBondContact O-N 2.95Å; A897-T901 WeakPolarHBondContact O-CB 3.4Å; A897-T901 PolarHBondContact O-N 3.47Å; A897-T901 PolarHBondContact O-OG1 2.95Å |
| 898 | D | 87 | Confident | 89.7 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -46.9 | -179 | -67.2 | -25.4 | 0 | 0 | 0 | 110.8 | V864 N896 V900 T901 L902 F931 | V864-D898 HydrophobicContact CG1-CB 4.47Å; V864-D898 HydrophobicContact CG2-CB 4.23Å; N896-D898 VanDerWaalsContact C-N 3.32Å; N896-D898 PolarHBondContact O-N 3.31Å; D898-V900 PolarHBondContact O-N 3Å; D898-T901 WeakPolarHBondContact O-CB 3.43Å; D898-T901 PolarHBondContact O-N 2.9Å; D898-L902 WeakPolarHBondContact O-CG 3.09Å; D898-L902 PolarHBondContact O-N 3.3Å; D898-F931 HydrophobicContact CB-CE1 3.67Å; D898-F931 HydrophobicContact CB-CZ 4.23Å |
| 899 | I | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 178.1 | -63.5 | -176.1 | 0 | 0 | 0 | 111.1 | C859 V864 V867 A891 N896 T901 L902 L903 | C859-I899 HydrophobicContact CB-CG2 4.26Å; C859-I899 VanDerWaalsContact SG-CG2 3.59Å; V864-I899 HydrophobicContact CG2-CD1 4.32Å; V864-I899 HydrophobicContact CG2-CG1 3.89Å; V867-I899 HydrophobicContact CG1-CG2 4.3Å; V867-I899 HydrophobicContact CG2-CD1 4.1Å; V867-I899 HydrophobicContact CG2-CG1 4.31Å; V867-I899 HydrophobicContact CG2-CG2 4.1Å; A891-I899 HydrophobicContact CB-CB 4.22Å; A891-I899 HydrophobicContact CB-CG2 3.58Å; N896-I899 HydrophobicContact CB-CB 4.28Å; N896-I899 HydrophobicContact CB-CD1 4.32Å; N896-I899 HydrophobicContact CB-CG1 4.4Å; N896-I899 VanDerWaalsContact ND2-CD1 3.31Å; N896-I899 WeakPolarHBondContact ND2-CD1 3.35Å; N896-I899 PolarHBondContact O-N 3.38Å; I899-T901 VanDerWaalsContact C-N 3.25Å; I899-T901 PolarHBondContact O-N 3.23Å; I899-L902 PolarHBondContact O-N 3.01Å; I899-L903 HydrophobicContact CG2-CD1 3.9Å; I899-L903 HydrophobicContact CG2-CG 4.39Å; I899-L903 WeakPolarHBondContact O-CG 3.43Å; I899-L903 PolarHBondContact O-N 3.49Å |
| 900 | V | 92.8 | Very high | 87.7 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L888 A891 L892 N896 D898 R904 | L888-V900 HydrophobicContact CD1-CB 4.49Å; L888-V900 HydrophobicContact CD1-CG1 4.13Å; L888-V900 HydrophobicContact CD1-CG2 4.42Å; A891-V900 HydrophobicContact CB-CG2 3.82Å; L892-V900 HydrophobicContact CD2-CG1 3.95Å; L892-V900 HydrophobicContact CD2-CG2 3.83Å; L892-V900 HydrophobicContact CG-CG2 4.09Å; N896-V900 VanDerWaalsContact O-CG2 3.3Å; N896-V900 WeakPolarHBondContact O-CG2 3.15Å; N896-V900 PolarHBondContact O-N 3.39Å; D898-V900 PolarHBondContact O-N 3Å; V900-R904 WeakPolarHBondContact O-CB 3.46Å; V900-R904 VanDerWaalsContact O-CG 3.29Å; V900-R904 WeakPolarHBondContact O-CG 3.34Å; V900-R904 PolarHBondContact O-N 3.09Å; V900-R904 VanDerWaalsContact O-N 3.12Å |
| 901 | T | 89.7 | Confident | 86.8 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 43% | 0.429 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 177.5 | -58 | 0 | 0 | 0 | 0 | 111 | A897 D898 I899 L903 R904 L905 | A897-T901 WeakPolarHBondContact O-CB 3.4Å; A897-T901 PolarHBondContact O-N 3.47Å; A897-T901 PolarHBondContact O-OG1 2.95Å; D898-T901 WeakPolarHBondContact O-CB 3.43Å; D898-T901 PolarHBondContact O-N 2.9Å; I899-T901 VanDerWaalsContact C-N 3.25Å; I899-T901 PolarHBondContact O-N 3.23Å; T901-L903 PolarHBondContact O-N 2.99Å; T901-R904 PolarHBondContact O-N 3.41Å; T901-L905 WeakPolarHBondContact O-CB 3.4Å; T901-L905 PolarHBondContact O-N 3.04Å |
| 902 | L | 88.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 178.2 | -76.2 | 168.6 | 0 | 0 | 0 | 112.8 | V864 V867 C868 L871 D898 I899 L905 Q906 F928 F931 | V864-L902 HydrophobicContact CG1-CD1 3.64Å; V867-L902 HydrophobicContact CG1-CB 4.36Å; V867-L902 HydrophobicContact CG1-CD1 4.32Å; C868-L902 WeakPolarHBondContact SG-CD1 3.39Å; C868-L902 VanDerWaalsContact SG-CD2 3.58Å; L871-L902 HydrophobicContact CD1-CB 4.44Å; D898-L902 WeakPolarHBondContact O-CG 3.09Å; D898-L902 PolarHBondContact O-N 3.3Å; I899-L902 PolarHBondContact O-N 3.01Å; L902-L905 PolarHBondContact O-N 3.42Å; L902-Q906 WeakPolarHBondContact O-CB 3.14Å; L902-Q906 PolarHBondContact O-N 3.08Å; L902-F928 HydrophobicContact CD2-CD1 4.33Å; L902-F928 HydrophobicContact CD2-CE1 4.24Å; L902-F928 HydrophobicContact CD2-CZ 4.37Å; L902-F931 HydrophobicContact CD1-CD1 4.47Å; L902-F931 HydrophobicContact CD1-CD2 4.4Å; L902-F931 HydrophobicContact CD1-CG 4.23Å; L902-F931 HydrophobicContact CD2-CB 4.27Å; L902-F931 HydrophobicContact CD2-CD2 3.45Å; L902-F931 VanDerWaalsContact CD2-CD2 3.45Å; L902-F931 HydrophobicContact CD2-CE2 3.97Å; L902-F931 HydrophobicContact CD2-CG 3.97Å; L902-F931 HydrophobicContact CG-CD2 3.95Å; L902-F931 HydrophobicContact CG-CE2 4.11Å; L902-F931 HydrophobicContact CG-CG 4.28Å |
| 903 | L | 92.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 179.7 | -71 | 169.4 | 0 | 0 | 0 | 111.7 | L855 L871 Q877 P887 L888 A891 I899 T901 Q906 R907 | L855-L903 HydrophobicContact CD1-CD2 4.48Å; L855-L903 HydrophobicContact CD2-CD2 4.21Å; L871-L903 HydrophobicContact CD1-CD2 4.02Å; L871-L903 HydrophobicContact CD2-CD2 4.04Å; Q877-L903 HydrophobicContact CB-CD2 4.03Å; Q877-L903 PolarHBondContact OE1-O 3.33Å; P887-L903 HydrophobicContact CB-CD1 4.38Å; L888-L903 HydrophobicContact CB-CD1 4.14Å; L888-L903 HydrophobicContact CD1-CB 4.15Å; L888-L903 HydrophobicContact CD1-CD1 4.21Å; A891-L903 HydrophobicContact CB-CD1 4.15Å; I899-L903 HydrophobicContact CG2-CD1 3.9Å; I899-L903 HydrophobicContact CG2-CG 4.39Å; I899-L903 WeakPolarHBondContact O-CG 3.43Å; I899-L903 PolarHBondContact O-N 3.49Å; T901-L903 PolarHBondContact O-N 2.99Å; L903-Q906 PolarHBondContact O-N 2.86Å; L903-R907 WeakPolarHBondContact O-CB 3.33Å; L903-R907 PolarHBondContact O-N 3.16Å |
| 904 | R | 91.3 | Very high | 82.8 | Confident | 141 Ų | 141 | 64.5 Ų | 64.5 | 53% | 0.532 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 179.1 | -73.8 | 178 | 175.5 | -169.3 | -0.8 | 112.4 | L888 V900 T901 R907 L908 | L888-R904 HydrophobicContact CD1-CG 4.23Å; L888-R904 HydrophobicContact CD2-CG 4.44Å; V900-R904 WeakPolarHBondContact O-CB 3.46Å; V900-R904 VanDerWaalsContact O-CG 3.29Å; V900-R904 WeakPolarHBondContact O-CG 3.34Å; V900-R904 PolarHBondContact O-N 3.09Å; V900-R904 VanDerWaalsContact O-N 3.12Å; T901-R904 PolarHBondContact O-N 3.41Å; R904-R907 PolarHBondContact O-N 3.44Å; R904-L908 WeakPolarHBondContact O-CB 3.41Å; R904-L908 PolarHBondContact O-N 3.11Å |
| 905 | L | 85.7 | Confident | 81 | Confident | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 178.5 | -173.5 | 111.6 | 0 | 0 | 0 | 111 | T901 L902 R907 L908 N909 V924 V927 F928 | T901-L905 WeakPolarHBondContact O-CB 3.4Å; T901-L905 PolarHBondContact O-N 3.04Å; L902-L905 PolarHBondContact O-N 3.42Å; L905-R907 PolarHBondContact O-N 3.11Å; L905-L908 WeakPolarHBondContact O-CB 3.48Å; L905-L908 PolarHBondContact O-N 2.81Å; L905-N909 PolarHBondContact O-N 3.04Å; L905-V924 HydrophobicContact CD2-CB 4.23Å; L905-V924 HydrophobicContact CD2-CG1 3.78Å; L905-V924 HydrophobicContact CD2-CG2 4.16Å; L905-V924 HydrophobicContact CG-CG2 4.28Å; L905-V927 HydrophobicContact CD1-CG1 4.46Å; L905-V927 HydrophobicContact CD1-CG2 4.4Å; L905-V927 HydrophobicContact CD2-CB 4.04Å; L905-V927 HydrophobicContact CD2-CG1 3.92Å; L905-F928 HydrophobicContact CD2-CD2 4.02Å; L905-F928 HydrophobicContact CD2-CE2 3.92Å |
| 906 | Q | 84.5 | Confident | 79.5 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.9 | -175.6 | 62.6 | 12.8 | 0 | 0 | 111.9 | L871 L902 L903 L908 N909 E910 F928 | L871-Q906 HydrophobicContact CB-CG 4.31Å; L871-Q906 HydrophobicContact CD1-CB 4.2Å; L871-Q906 HydrophobicContact CD1-CG 4.45Å; L871-Q906 HydrophobicContact CD2-CG 4.21Å; L902-Q906 WeakPolarHBondContact O-CB 3.14Å; L902-Q906 PolarHBondContact O-N 3.08Å; L903-Q906 PolarHBondContact O-N 2.86Å; Q906-L908 VanDerWaalsContact C-N 3.35Å; Q906-L908 PolarHBondContact O-N 2.92Å; Q906-N909 PolarHBondContact O-N 3.21Å; Q906-E910 PolarHBondContact NE2-OE1 2.9Å; Q906-E910 WeakPolarHBondContact O-CG 3.43Å; Q906-E910 PolarHBondContact O-N 3Å; Q906-F928 HydrophobicContact CB-CE2 4.35Å; Q906-F928 HydrophobicContact CB-CZ 4.09Å; Q906-F928 HydrophobicContact CG-CZ 4.42Å; Q906-F928 VanDerWaalsContact OE1-CE2 3.31Å |
| 907 | R | 83 | Confident | 77.8 | Confident | 130 Ų | 130 | 72.4 Ų | 72.4 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 177.1 | -171.2 | 175.1 | 176.8 | 177.3 | -0.8 | 111.6 | L903 R904 L905 N909 E910 T911 | L903-R907 WeakPolarHBondContact O-CB 3.33Å; L903-R907 PolarHBondContact O-N 3.16Å; R904-R907 PolarHBondContact O-N 3.44Å; L905-R907 PolarHBondContact O-N 3.11Å; R907-N909 VanDerWaalsContact C-N 3.33Å; R907-E910 PolarHBondContact O-N 2.84Å; R907-T911 PolarHBondContact O-N 2.85Å; R907-T911 PolarHBondContact O-OG1 3.27Å |
| 908 | L | 80.9 | Confident | 76 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 176 | -167.1 | 95.3 | 0 | 0 | 0 | 110.9 | R904 L905 Q906 T911 A912 L919 | R904-L908 WeakPolarHBondContact O-CB 3.41Å; R904-L908 PolarHBondContact O-N 3.11Å; L905-L908 WeakPolarHBondContact O-CB 3.48Å; L905-L908 PolarHBondContact O-N 2.81Å; Q906-L908 VanDerWaalsContact C-N 3.35Å; Q906-L908 PolarHBondContact O-N 2.92Å; L908-T911 WeakPolarHBondContact CA-OG1 3.45Å; L908-T911 PolarHBondContact O-N 3.45Å; L908-T911 PolarHBondContact O-OG1 3.05Å; L908-A912 WeakPolarHBondContact O-CB 3.35Å; L908-A912 PolarHBondContact O-N 3.36Å; L908-L919 HydrophobicContact CD2-CD1 3.33Å; L908-L919 HydrophobicContact CG-CD1 3.74Å |
| 909 | N | 75.5 | Confident | 74.2 | Confident | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.048 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.3 | -164.7 | 19.4 | 0 | 0 | 0 | 112 | L905 Q906 R907 T911 A912 K913 V924 | L905-N909 PolarHBondContact O-N 3.04Å; Q906-N909 PolarHBondContact O-N 3.21Å; R907-N909 VanDerWaalsContact C-N 3.33Å; N909-T911 VanDerWaalsContact C-N 3.31Å; N909-T911 PolarHBondContact O-N 3.39Å; N909-A912 PolarHBondContact O-N 2.84Å; N909-K913 WeakPolarHBondContact O-CG 3.29Å; N909-K913 PolarHBondContact O-N 3.25Å; N909-K913 WeakPolarHBondContact OD1-CE 3.49Å; N909-V924 HydrophobicContact CB-CG1 4.29Å; N909-V924 HydrophobicContact CB-CG2 3.97Å; N909-V924 WeakPolarHBondContact ND2-CG1 3.42Å |
| 910 | E | 74.2 | Confident | 72.5 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 176.9 | -74.2 | 172 | -170.2 | 0 | 0 | 112.8 | Q906 R907 K914 | Q906-E910 PolarHBondContact NE2-OE1 2.9Å; Q906-E910 WeakPolarHBondContact O-CG 3.43Å; Q906-E910 PolarHBondContact O-N 3Å; R907-E910 PolarHBondContact O-N 2.84Å; E910-K914 WeakPolarHBondContact O-CG 3.45Å |
| 911 | T | 74 | Confident | 70.8 | Confident | 77 Ų | 77 | 81.9 Ų | 81.9 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 173.3 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | R907 L908 N909 K913 K914 S915 | R907-T911 PolarHBondContact O-N 2.85Å; R907-T911 PolarHBondContact O-OG1 3.27Å; L908-T911 WeakPolarHBondContact CA-OG1 3.45Å; L908-T911 PolarHBondContact O-N 3.45Å; L908-T911 PolarHBondContact O-OG1 3.05Å; N909-T911 VanDerWaalsContact C-N 3.31Å; N909-T911 PolarHBondContact O-N 3.39Å; T911-K913 VanDerWaalsContact C-N 3.28Å; T911-K913 PolarHBondContact O-N 2.89Å; T911-K914 PolarHBondContact O-N 3.47Å; T911-S915 PolarHBondContact O-N 3.32Å; T911-S915 PolarHBondContact O-OG 3.49Å |
| 912 | A | 66.6 | Low | 69.3 | Low | 12 Ų | 12 | 85.5 Ų | 85.5 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.3 | -21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L908 N909 K914 S915 F917 L919 | L908-A912 WeakPolarHBondContact O-CB 3.35Å; L908-A912 PolarHBondContact O-N 3.36Å; N909-A912 PolarHBondContact O-N 2.84Å; A912-K914 VanDerWaalsContact C-N 3.32Å; A912-S915 CarbonylContact C-O 3.55Å; A912-F917 VanDerWaalsContact O-O 3.07Å; A912-L919 HydrophobicContact CB-CB 4.1Å; A912-L919 HydrophobicContact CB-CD1 3.56Å; A912-L919 HydrophobicContact CB-CG 3.83Å |
| 913 | K | 66.9 | Low | 68.3 | Low | 128 Ų | 128 | 89.2 Ų | 89.2 | 56% | 0.557 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -17 | 169.8 | -72.8 | -179.9 | -177 | -173.9 | 0 | 113.2 | N909 T911 D921 | N909-K913 WeakPolarHBondContact O-CG 3.29Å; N909-K913 PolarHBondContact O-N 3.25Å; N909-K913 WeakPolarHBondContact OD1-CE 3.49Å; T911-K913 VanDerWaalsContact C-N 3.28Å; T911-K913 PolarHBondContact O-N 2.89Å; K913-D921 VanDerWaalsContact CE-OD1 3.27Å; K913-D921 WeakPolarHBondContact CE-OD1 3.33Å; K913-D921 IonicContact NZ-OD1 3.9Å; K913-D921 PolarHBondContact NZ-OD1 3.04Å; K913-D921 IonicContact NZ-OD2 2.76Å; K913-D921 PolarHBondContact NZ-OD2 3.01Å |
| 914 | K | 63.6 | Low | 66.9 | Low | 184 Ų | 184 | 89.7 Ų | 89.7 | 80% | 0.8 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -36.6 | -179.8 | -71.9 | 177.2 | -179.1 | 176.2 | 0 | 113 | E910 T911 A912 | E910-K914 WeakPolarHBondContact O-CG 3.45Å; T911-K914 PolarHBondContact O-N 3.47Å; A912-K914 VanDerWaalsContact C-N 3.32Å |
| 915 | S | 52.9 | Low | 65.7 | Low | 63 Ų | 63 | 87 Ų | 87 | 44% | 0.441 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -86.5 | 140.3 | 164.8 | 54.3 | 0 | 0 | 0 | 0 | 108.1 | T911 A912 F917 | T911-S915 PolarHBondContact O-N 3.32Å; T911-S915 PolarHBondContact O-OG 3.49Å; A912-S915 CarbonylContact C-O 3.55Å; S915-F917 PolarHBondContact O-N 3.07Å |
| 916 | D | 56 | Low | 64.7 | Low | 180 Ų | 180 | 88.3 Ų | 88.3 | 96% | 0.963 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -62.6 | 26.6 | 177.8 | -75.2 | -41.6 | 0 | 0 | 0 | 115.3 | ||
| 917 | F | 50.1 | Low | 63.9 | Low | 137 Ų | 137 | 89 Ų | 89 | 60% | 0.601 | 46% | 0.456 | S | S | * | . | trans | -90.9 | 107.4 | -179.9 | -170 | -97.7 | 0 | 0 | 0 | 110.3 | A912 S915 L919 | A912-F917 VanDerWaalsContact O-O 3.07Å; S915-F917 PolarHBondContact O-N 3.07Å; F917-L919 VanDerWaalsContact C-N 3.34Å; F917-L919 HydrophobicContact CD1-CD2 4.32Å; F917-L919 HydrophobicContact CD1-CG 4.04Å; F917-L919 HydrophobicContact CE1-CD2 3.77Å; F917-L919 HydrophobicContact CE1-CG 4Å; F917-L919 PolarHBondContact O-N 3.23Å | ||
| 918 | T | 49.3 | Very low | 63.1 | Low | 119 Ų | 119 | 83 Ų | 83 | 73% | 0.73 | 43% | 0.433 | S | S | * | . | trans | -70.8 | 83.7 | 175.5 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | N920 | T918-N920 PolarHBondContact O-N 2.97Š| ||
| 919 | L | 49.7 | Very low | 62.3 | Low | 61 Ų | 61 | 83.2 Ų | 83.2 | 32% | 0.319 | 43% | 0.427 | S | S | . | . | trans | -62.9 | 128.6 | 148 | -72.8 | 177 | 0 | 0 | 0 | 106.5 | L908 A912 F917 D921 | L908-L919 HydrophobicContact CD2-CD1 3.33Å; L908-L919 HydrophobicContact CG-CD1 3.74Å; A912-L919 HydrophobicContact CB-CB 4.1Å; A912-L919 HydrophobicContact CB-CD1 3.56Å; A912-L919 HydrophobicContact CB-CG 3.83Å; F917-L919 VanDerWaalsContact C-N 3.34Å; F917-L919 HydrophobicContact CD1-CD2 4.32Å; F917-L919 HydrophobicContact CD1-CG 4.04Å; F917-L919 HydrophobicContact CE1-CD2 3.77Å; F917-L919 HydrophobicContact CE1-CG 4Å; F917-L919 PolarHBondContact O-N 3.23Å; L919-D921 PolarHBondContact O-N 3.04Å | ||
| 920 | N | 54.5 | Low | 61.8 | Low | 109 Ų | 109 | 87.4 Ų | 87.4 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | trans | -56.5 | 104.7 | 179 | -64 | -9.5 | 0 | 0 | 0 | 108 | T918 E922 T923 | T918-N920 PolarHBondContact O-N 2.97Å; N920-E922 PolarHBondContact O-N 3.06Å; N920-T923 PolarHBondContact O-N 2.73Å | ||
| 921 | D | 57.3 | Low | 61.2 | Low | 73 Ų | 73 | 85.6 Ų | 85.6 | 39% | 0.39 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -51.6 | -29.7 | -178.6 | -140.7 | 0.1 | 0 | 0 | 0 | 110.1 | K913 L919 T923 V924 D925 | K913-D921 VanDerWaalsContact CE-OD1 3.27Å; K913-D921 WeakPolarHBondContact CE-OD1 3.33Å; K913-D921 IonicContact NZ-OD1 3.9Å; K913-D921 PolarHBondContact NZ-OD1 3.04Å; K913-D921 IonicContact NZ-OD2 2.76Å; K913-D921 PolarHBondContact NZ-OD2 3.01Å; L919-D921 PolarHBondContact O-N 3.04Å; D921-T923 PolarHBondContact O-N 2.82Å; D921-V924 PolarHBondContact O-N 2.94Å; D921-D925 PolarHBondContact O-N 2.8Å |
| 922 | E | 59 | Low | 60.5 | Low | 146 Ų | 146 | 82.2 Ų | 82.2 | 68% | 0.682 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -53.9 | -44.1 | 172.3 | -63.8 | -176.2 | 174 | 0 | 0 | 113.5 | N920 V924 D925 D926 | N920-E922 PolarHBondContact O-N 3.06Å; E922-V924 VanDerWaalsContact C-N 3.33Å; E922-V924 PolarHBondContact O-N 3.38Å; E922-D925 PolarHBondContact O-N 3.46Å; E922-D926 VanDerWaalsContact O-CB 3.27Å; E922-D926 WeakPolarHBondContact O-CB 3.16Å; E922-D926 PolarHBondContact O-N 2.96Å; E922-D926 VanDerWaalsContact O-OD1 3.11Å |
| 923 | T | 66.1 | Low | 60.1 | Low | 78 Ų | 78 | 83.1 Ų | 83.1 | 48% | 0.479 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.4 | -35.6 | -177.8 | -51.8 | 0 | 0 | 0 | 0 | 112 | N920 D921 D926 V927 | N920-T923 PolarHBondContact O-N 2.73Å; D921-T923 PolarHBondContact O-N 2.82Å; T923-D926 PolarHBondContact O-N 3.4Å; T923-V927 VanDerWaalsContact O-CG2 3.28Å; T923-V927 WeakPolarHBondContact O-CG2 3.45Å; T923-V927 PolarHBondContact O-N 3.17Å |
| 924 | V | 63.9 | Low | 59.5 | Low | 10 Ų | 10 | 84.8 Ų | 84.8 | 6% | 0.061 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.5 | -46.6 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | L905 N909 D921 E922 D926 V927 F928 | L905-V924 HydrophobicContact CD2-CB 4.23Å; L905-V924 HydrophobicContact CD2-CG1 3.78Å; L905-V924 HydrophobicContact CD2-CG2 4.16Å; L905-V924 HydrophobicContact CG-CG2 4.28Å; N909-V924 HydrophobicContact CB-CG1 4.29Å; N909-V924 HydrophobicContact CB-CG2 3.97Å; N909-V924 WeakPolarHBondContact ND2-CG1 3.42Å; D921-V924 PolarHBondContact O-N 2.94Å; E922-V924 VanDerWaalsContact C-N 3.33Å; E922-V924 PolarHBondContact O-N 3.38Å; V924-D926 VanDerWaalsContact C-N 3.26Å; V924-D926 PolarHBondContact O-N 2.92Å; V924-V927 PolarHBondContact O-N 3.24Å; V924-F928 HydrophobicContact CG1-CD2 3.7Å; V924-F928 HydrophobicContact CG1-CE2 3.84Å; V924-F928 WeakPolarHBondContact O-CB 3.18Å; V924-F928 WeakPolarHBondContact O-CD2 3.39Å; V924-F928 PolarHBondContact O-N 2.84Å |
| 925 | D | 65.9 | Low | 58.8 | Low | 85 Ų | 85 | 77.1 Ų | 77.1 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 175.6 | -76.5 | -21.3 | 0 | 0 | 0 | 112 | D921 E922 R929 | D921-D925 PolarHBondContact O-N 2.8Å; E922-D925 PolarHBondContact O-N 3.46Å; D925-R929 WeakPolarHBondContact O-CB 3.48Å; D925-R929 PolarHBondContact O-N 3.23Å |
| 926 | D | 65.3 | Low | 58.7 | Low | 63 Ų | 63 | 74.1 Ų | 74.1 | 34% | 0.337 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 175.2 | -69.7 | -10 | 0 | 0 | 0 | 111.8 | E922 T923 V924 R929 D930 | E922-D926 VanDerWaalsContact O-CB 3.27Å; E922-D926 WeakPolarHBondContact O-CB 3.16Å; E922-D926 PolarHBondContact O-N 2.96Å; E922-D926 VanDerWaalsContact O-OD1 3.11Å; T923-D926 PolarHBondContact O-N 3.4Å; V924-D926 VanDerWaalsContact C-N 3.26Å; V924-D926 PolarHBondContact O-N 2.92Å; D926-R929 WeakPolarHBondContact O-CB 3.42Å; D926-R929 PolarHBondContact O-N 2.88Å; D926-R929 IonicContact OD1-CZ 2.87Å; D926-R929 IonicContact OD1-NH1 3.87Å; D926-R929 PolarHBondContact OD1-NH1 3.29Å; D926-R929 IonicContact OD1-NH2 3.38Å; D926-R929 PolarHBondContact OD1-NH2 3.19Å; D926-R929 IonicContact OD2-NH2 3.9Å; D926-D930 PolarHBondContact O-N 3.33Å |
| 927 | V | 66.9 | Low | 58.3 | Low | 39 Ų | 39 | 66.3 Ų | 66.3 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L905 T923 V924 R929 D930 F931 | L905-V927 HydrophobicContact CD1-CG1 4.46Å; L905-V927 HydrophobicContact CD1-CG2 4.4Å; L905-V927 HydrophobicContact CD2-CB 4.04Å; L905-V927 HydrophobicContact CD2-CG1 3.92Å; T923-V927 VanDerWaalsContact O-CG2 3.28Å; T923-V927 WeakPolarHBondContact O-CG2 3.45Å; T923-V927 PolarHBondContact O-N 3.17Å; V924-V927 PolarHBondContact O-N 3.24Å; V927-R929 VanDerWaalsContact C-N 3.27Å; V927-R929 PolarHBondContact O-N 2.87Å; V927-D930 PolarHBondContact O-N 2.72Å; V927-F931 HydrophobicContact CG1-CD2 3.68Å; V927-F931 HydrophobicContact CG1-CE2 3.58Å; V927-F931 VanDerWaalsContact O-CD2 3.23Å; V927-F931 WeakPolarHBondContact O-CD2 3.36Å; V927-F931 PolarHBondContact O-N 3.33Å |
| 928 | F | 67.1 | Low | 57.7 | Low | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 174.7 | -91.4 | -91 | 0 | 0 | 0 | 111.2 | C868 L871 R872 L902 L905 Q906 V924 T932 | C868-F928 HydrophobicContact CB-CD1 4.19Å; C868-F928 HydrophobicContact CB-CE1 4.43Å; L871-F928 HydrophobicContact CB-CE1 3.94Å; L871-F928 HydrophobicContact CB-CZ 4.03Å; L871-F928 HydrophobicContact CD1-CE1 4.31Å; L871-F928 HydrophobicContact CD1-CZ 4.07Å; R872-F928 HydrophobicContact CG-CD1 4.04Å; R872-F928 HydrophobicContact CG-CE1 4.35Å; L902-F928 HydrophobicContact CD2-CD1 4.33Å; L902-F928 HydrophobicContact CD2-CE1 4.24Å; L902-F928 HydrophobicContact CD2-CZ 4.37Å; L905-F928 HydrophobicContact CD2-CD2 4.02Å; L905-F928 HydrophobicContact CD2-CE2 3.92Å; Q906-F928 HydrophobicContact CB-CE2 4.35Å; Q906-F928 HydrophobicContact CB-CZ 4.09Å; Q906-F928 HydrophobicContact CG-CZ 4.42Å; Q906-F928 VanDerWaalsContact OE1-CE2 3.31Å; V924-F928 HydrophobicContact CG1-CD2 3.7Å; V924-F928 HydrophobicContact CG1-CE2 3.84Å; V924-F928 WeakPolarHBondContact O-CB 3.18Å; V924-F928 WeakPolarHBondContact O-CD2 3.39Å; V924-F928 PolarHBondContact O-N 2.84Å; F928-T932 WeakPolarHBondContact O-CB 3.45Å; F928-T932 PolarHBondContact O-N 2.69Å; F928-T932 PolarHBondContact O-OG1 3.39Å |
| 929 | R | 64.4 | Low | 57.2 | Low | 103 Ų | 103 | 60.1 Ų | 60.1 | 39% | 0.389 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.1 | -179.3 | 177.3 | 67.4 | -114.2 | 4.2 | 111.5 | D925 D926 V927 T932 S933 | D925-R929 WeakPolarHBondContact O-CB 3.48Å; D925-R929 PolarHBondContact O-N 3.23Å; D926-R929 WeakPolarHBondContact O-CB 3.42Å; D926-R929 PolarHBondContact O-N 2.88Å; D926-R929 IonicContact OD1-CZ 2.87Å; D926-R929 IonicContact OD1-NH1 3.87Å; D926-R929 PolarHBondContact OD1-NH1 3.29Å; D926-R929 IonicContact OD1-NH2 3.38Å; D926-R929 PolarHBondContact OD1-NH2 3.19Å; D926-R929 IonicContact OD2-NH2 3.9Å; V927-R929 VanDerWaalsContact C-N 3.27Å; V927-R929 PolarHBondContact O-N 2.87Å; R929-T932 PolarHBondContact O-N 3.16Å; R929-S933 VanDerWaalsContact O-CB 3.29Å; R929-S933 WeakPolarHBondContact O-CB 3.22Å; R929-S933 PolarHBondContact O-N 3.07Å; R929-S933 PolarHBondContact O-OG 3.5Å |
| 930 | D | 63.3 | Low | 56.7 | Low | 97 Ų | 97 | 59.3 Ų | 59.3 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 178.8 | -113.7 | 27.2 | 0 | 0 | 0 | 111.8 | D926 V927 S933 R934 | D926-D930 PolarHBondContact O-N 3.33Å; V927-D930 PolarHBondContact O-N 2.72Å; D930-S933 PolarHBondContact O-N 3.27Å; D930-R934 PolarHBondContact O-N 2.92Å |
| 931 | F | 63.2 | Low | 55.9 | Low | 30 Ų | 30 | 57.4 Ų | 57.4 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 175.4 | -79.6 | -68.9 | 0 | 0 | 0 | 111.8 | V864 D898 L902 V927 S933 R934 T935 | V864-F931 HydrophobicContact CG1-CD1 3.89Å; D898-F931 HydrophobicContact CB-CE1 3.67Å; D898-F931 HydrophobicContact CB-CZ 4.23Å; L902-F931 HydrophobicContact CD1-CD1 4.47Å; L902-F931 HydrophobicContact CD1-CD2 4.4Å; L902-F931 HydrophobicContact CD1-CG 4.23Å; L902-F931 HydrophobicContact CD2-CB 4.27Å; L902-F931 HydrophobicContact CD2-CD2 3.45Å; L902-F931 VanDerWaalsContact CD2-CD2 3.45Å; L902-F931 HydrophobicContact CD2-CE2 3.97Å; L902-F931 HydrophobicContact CD2-CG 3.97Å; L902-F931 HydrophobicContact CG-CD2 3.95Å; L902-F931 HydrophobicContact CG-CE2 4.11Å; L902-F931 HydrophobicContact CG-CG 4.28Å; V927-F931 HydrophobicContact CG1-CD2 3.68Å; V927-F931 HydrophobicContact CG1-CE2 3.58Å; V927-F931 VanDerWaalsContact O-CD2 3.23Å; V927-F931 WeakPolarHBondContact O-CD2 3.36Å; V927-F931 PolarHBondContact O-N 3.33Å; F931-S933 VanDerWaalsContact C-N 3.32Å; F931-S933 PolarHBondContact O-N 3.36Å; F931-R934 PolarHBondContact O-N 3.1Å; F931-T935 PolarHBondContact O-N 2.91Å; F931-T935 PolarHBondContact O-OG1 2.94Å |
| 932 | T | 59.4 | Low | 54.8 | Low | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | P614 F928 R929 R934 T935 Y936 | P614-T932 HydrophobicContact CG-CG2 4.26Å; F928-T932 WeakPolarHBondContact O-CB 3.45Å; F928-T932 PolarHBondContact O-N 2.69Å; F928-T932 PolarHBondContact O-OG1 3.39Å; R929-T932 PolarHBondContact O-N 3.16Å; T932-R934 PolarHBondContact O-N 2.98Å; T932-T935 PolarHBondContact O-N 2.79Å; T932-Y936 HydrophobicContact CG2-CD2 3.48Å; T932-Y936 VanDerWaalsContact CG2-CD2 3.48Å; T932-Y936 HydrophobicContact CG2-CE2 3.83Å; T932-Y936 HydrophobicContact CG2-CG 4.15Å; T932-Y936 VanDerWaalsContact O-CB 3.29Å; T932-Y936 WeakPolarHBondContact O-CB 3.18Å; T932-Y936 WeakPolarHBondContact O-CD2 3.12Å; T932-Y936 PolarHBondContact O-N 3.36Å |
| 933 | S | 56.2 | Low | 53.8 | Low | 31 Ų | 31 | 57 Ų | 57 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | -178.6 | -54.3 | 0 | 0 | 0 | 0 | 113 | R929 D930 F931 Y937 | R929-S933 VanDerWaalsContact O-CB 3.29Å; R929-S933 WeakPolarHBondContact O-CB 3.22Å; R929-S933 PolarHBondContact O-N 3.07Å; R929-S933 PolarHBondContact O-OG 3.5Å; D930-S933 PolarHBondContact O-N 3.27Å; F931-S933 VanDerWaalsContact C-N 3.32Å; F931-S933 PolarHBondContact O-N 3.36Å; S933-Y937 WeakPolarHBondContact O-CD2 3.13Å |
| 934 | R | 55.4 | Low | 52.4 | Low | 162 Ų | 162 | 60.6 Ų | 60.6 | 61% | 0.611 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71.9 | -27.2 | 178.8 | -93.3 | 178.1 | 172.2 | 153.9 | 1.4 | 114.3 | D930 F931 T932 | D930-R934 PolarHBondContact O-N 2.92Å; F931-R934 PolarHBondContact O-N 3.1Å; T932-R934 PolarHBondContact O-N 2.98Å |
| 935 | T | 48.8 | Very low | 51.2 | Low | 23 Ų | 23 | 64 Ų | 64 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -115.6 | -23.7 | -166.4 | 46.3 | 0 | 0 | 0 | 0 | 114.4 | V864 H865 F931 T932 Y937 L938 | V864-T935 HydrophobicContact CB-CG2 4.29Å; H865-T935 WeakPolarHBondContact CB-OG1 3.44Å; F931-T935 PolarHBondContact O-N 2.91Å; F931-T935 PolarHBondContact O-OG1 2.94Å; T932-T935 PolarHBondContact O-N 2.79Å; T935-Y937 PolarHBondContact O-N 3.47Å; T935-L938 PolarHBondContact O-N 3.31Å |
| 936 | Y | 50.8 | Low | 49.9 | Very low | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.5 | -177.1 | -108.8 | -106.2 | 0 | 0 | 0 | 114.9 | P614 E615 H618 I831 H865 T932 L938 | P614-Y936 HydrophobicContact CB-CD1 3.57Å; P614-Y936 HydrophobicContact CB-CE1 3.93Å; P614-Y936 HydrophobicContact CB-CG 4.09Å; E615-Y936 HydrophobicContact CB-CE1 4.2Å; E615-Y936 HydrophobicContact CG-CE1 3.74Å; E615-Y936 HydrophobicContact CG-CE2 4.04Å; E615-Y936 WeakPolarHBondContact CG-OH 3.42Å; H618-Y936 AromaticContact CE1-CD1 3.49Å; H618-Y936 VanDerWaalsContact CE1-CD1 3.49Å; H618-Y936 WeakPolarHBondContact CE1-CD1 3.47Å; H618-Y936 AromaticContact ND1-CD1 3.5Å; H618-Y936 WeakPolarHBondContact ND1-CD1 3.48Å; H618-Y936 AromaticContact ND1-CE1 3.69Å; I831-Y936 HydrophobicContact CB-CE1 4.37Å; I831-Y936 HydrophobicContact CD1-CD1 3.9Å; I831-Y936 HydrophobicContact CD1-CD2 4.05Å; I831-Y936 HydrophobicContact CD1-CE1 3.6Å; I831-Y936 HydrophobicContact CD1-CE2 3.75Å; I831-Y936 HydrophobicContact CD1-CG 4.07Å; I831-Y936 VanDerWaalsContact CD1-CZ 3.41Å; I831-Y936 HydrophobicContact CG1-CE1 4.17Å; I831-Y936 HydrophobicContact CG1-CE2 4.28Å; I831-Y936 WeakPolarHBondContact CG1-OH 3.44Å; I831-Y936 HydrophobicContact CG2-CE1 3.5Å; I831-Y936 WeakPolarHBondContact CG2-OH 3.44Å; H865-Y936 HydrophobicContact CB-CD2 4.39Å; H865-Y936 HydrophobicContact CB-CE2 4.29Å; T932-Y936 HydrophobicContact CG2-CD2 3.48Å; T932-Y936 VanDerWaalsContact CG2-CD2 3.48Å; T932-Y936 HydrophobicContact CG2-CE2 3.83Å; T932-Y936 HydrophobicContact CG2-CG 4.15Å; T932-Y936 VanDerWaalsContact O-CB 3.29Å; T932-Y936 WeakPolarHBondContact O-CB 3.18Å; T932-Y936 WeakPolarHBondContact O-CD2 3.12Å; T932-Y936 PolarHBondContact O-N 3.36Å; Y936-L938 VanDerWaalsContact C-N 3.29Å |
| 937 | Y | 47.2 | Very low | 48.6 | Very low | 15 Ų | 15 | 65.4 Ų | 65.4 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -2.1 | -173.9 | -59.6 | -50.6 | 0 | 0 | 0 | 113.4 | Q544 L547 L710 S933 T935 N939 | Q544-Y937 PolarHBondContact NE2-OH 3.13Å; Q544-Y937 VanDerWaalsContact NE2-OH 3.08Å; L547-Y937 WeakPolarHBondContact CD1-OH 3.38Å; L710-Y937 VanDerWaalsContact C-CD1 3.49Å; L710-Y937 HydrophobicContact CD2-CE1 4.4Å; L710-Y937 WeakPolarHBondContact O-CD1 3.5Å; S933-Y937 WeakPolarHBondContact O-CD2 3.13Å; T935-Y937 PolarHBondContact O-N 3.47Å; Y937-N939 VanDerWaalsContact C-N 3.32Å; Y937-N939 PolarHBondContact O-N 3.43Å |
| 938 | L | 37.4 | Very low | 47.1 | Very low | 59 Ų | 59 | 70.2 Ų | 70.2 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | trans | -91.2 | 66.6 | 167.4 | -56 | 168.4 | 0 | 0 | 0 | 108.7 | T935 Y936 C940 | T935-L938 PolarHBondContact O-N 3.31Å; Y936-L938 VanDerWaalsContact C-N 3.29Å; L938-C940 HydrophobicContact CB-CB 4.17Å; L938-C940 HydrophobicContact CD2-CB 4.43Å; L938-C940 WeakPolarHBondContact CD2-SG 3.29Å; L938-C940 PolarHBondContact O-N 3.48Å | ||
| 939 | N | 39 | Very low | 45.6 | Very low | 68 Ų | 68 | 78.7 Ų | 78.7 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | trans | -72.8 | 55.7 | 143.2 | -89.7 | -23.3 | 0 | 0 | 0 | 107.1 | Y937 | Y937-N939 VanDerWaalsContact C-N 3.32Å; Y937-N939 PolarHBondContact O-N 3.43Å | ||
| 940 | C | 39.2 | Very low | 44.2 | Very low | 43 Ų | 43 | 79 Ų | 79 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | trans | -84.3 | 123.9 | 176.4 | -73.3 | 0 | 0 | 0 | 0 | 106.1 | L938 D942 | L938-C940 HydrophobicContact CB-CB 4.17Å; L938-C940 HydrophobicContact CD2-CB 4.43Å; L938-C940 WeakPolarHBondContact CD2-SG 3.29Å; L938-C940 PolarHBondContact O-N 3.48Å; C940-D942 HydrophobicContact CB-CB 3.96Å; C940-D942 WeakPolarHBondContact CB-OD1 3.46Å; C940-D942 WeakPolarHBondContact CB-OD2 2.99Å; C940-D942 PolarHBondContact O-N 2.58Å | ||
| 941 | D | 38.8 | Very low | 42.7 | Very low | 70 Ų | 70 | 79.6 Ų | 79.6 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | trans | -54.5 | 43.2 | 145.3 | -81.3 | -53.6 | 0 | 0 | 0 | 111.2 | N736 N943 | N736-D941 PolarHBondContact ND2-OD1 3.03Å; N736-D941 VanDerWaalsContact ND2-OD1 3.13Å; D941-N943 VanDerWaalsContact C-N 3.29Å; D941-N943 PolarHBondContact O-N 3.46Å | ||
| 942 | D | 34.5 | Very low | 41.3 | Very low | 86 Ų | 86 | 83 Ų | 83 | 46% | 0.46 | 43% | 0.427 | S | S | . | . | trans | -66 | 98.8 | 172.9 | -78.4 | -22.8 | 0 | 0 | 0 | 106.2 | C940 F944 | C940-D942 HydrophobicContact CB-CB 3.96Å; C940-D942 WeakPolarHBondContact CB-OD1 3.46Å; C940-D942 WeakPolarHBondContact CB-OD2 2.99Å; C940-D942 PolarHBondContact O-N 2.58Å; D942-F944 PolarHBondContact O-N 2.85Å | ||
| 943 | N | 36.4 | Very low | 39.8 | Very low | 124 Ų | 124 | 88.3 Ų | 88.3 | 66% | 0.663 | 46% | 0.456 | S | S | * | . | trans | -4.1 | 34.7 | 140.7 | -57.6 | -46.6 | 0 | 0 | 0 | 118.6 | D941 D945 | D941-N943 VanDerWaalsContact C-N 3.29Å; D941-N943 PolarHBondContact O-N 3.46Å; N943-D945 PolarHBondContact O-N 3.43Å | ||
| 944 | F | 38.2 | Very low | 38.6 | Very low | 153 Ų | 153 | 94.2 Ų | 94.2 | 67% | 0.671 | 49% | 0.485 | S | S | * | . | trans | -69.3 | 91.3 | 153.1 | -91.5 | -89.6 | 0 | 0 | 0 | 105.1 | D942 D946 | D942-F944 PolarHBondContact O-N 2.85Å; F944-D946 PolarHBondContact O-N 3.41Å | ||
| 945 | D | 37.9 | Very low | 37.2 | Very low | 82 Ų | 82 | 94.2 Ų | 94.2 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | trans | -45.9 | 96.2 | 154.6 | -70.8 | -51.8 | 0 | 0 | 0 | 105.9 | R735 N943 D947 | R735-D945 IonicContact CZ-OD1 3.44Å; R735-D945 IonicContact NH1-OD1 2.69Å; R735-D945 PolarHBondContact NH1-OD1 3.16Å; N943-D945 PolarHBondContact O-N 3.43Å; D945-D947 HydrophobicContact CB-CB 4.3Å; D945-D947 PolarHBondContact O-N 2.9Å | ||
| 946 | D | 38.9 | Very low | 36 | Very low | 75 Ų | 75 | 104.4 Ų | 104.4 | 40% | 0.401 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 51.9 | 157.6 | -69 | -45.2 | 0 | 0 | 0 | 108.2 | F944 | F944-D946 PolarHBondContact O-N 3.41Š|
| 947 | D | 37.6 | Very low | 34.8 | Very low | 102 Ų | 102 | 110.9 Ų | 110.9 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -4.9 | 165.7 | -74.3 | -10.5 | 0 | 0 | 0 | 109.7 | R735 R739 D945 E949 | R735-D947 IonicContact NH2-OD1 2.75Å; R739-D947 IonicContact NH2-OD1 2.87Å; D945-D947 HydrophobicContact CB-CB 4.3Å; D945-D947 PolarHBondContact O-N 2.9Å; D947-E949 PolarHBondContact O-N 3.45Å |
| 948 | D | 36 | Very low | 33.9 | Very low | 141 Ų | 141 | 115.1 Ų | 115.1 | 75% | 0.754 | 59% | 0.588 | S | S | * | * | trans | -80.5 | 59.8 | 158.4 | -67.2 | -28.3 | 0 | 0 | 0 | 109.5 | V950 | D948-V950 HydrophobicContact CB-CG2 4.1Å; D948-V950 PolarHBondContact O-N 3Å | ||
| 949 | E | 35 | Very low | 33.3 | Very low | 182 Ų | 182 | 119.9 Ų | 119.9 | 85% | 0.85 | 61% | 0.614 | S | S | * | * | trans | -58.7 | 82.5 | 137.9 | -82 | -172.3 | 172.9 | 0 | 0 | 104.9 | D947 D951 | D947-E949 PolarHBondContact O-N 3.45Å; E949-D951 PolarHBondContact O-N 2.73Å | ||
| 950 | V | 34.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | trans | -62.9 | 89.2 | 162.5 | -179.7 | 0 | 0 | 0 | 0 | 104.3 | D948 D952 | D948-V950 HydrophobicContact CB-CG2 4.1Å; D948-V950 PolarHBondContact O-N 3Å; V950-D952 PolarHBondContact O-N 3.4Å; V950-D952 VanDerWaalsContact O-N 3.07Å | ||
| 951 | D | 31.8 | Very low | 32.2 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | trans | 4.3 | 92.5 | 157.6 | -143.4 | 11.2 | 0 | 0 | 0 | 111.8 | E949 N953 | E949-D951 PolarHBondContact O-N 2.73Å; D951-N953 HydrophobicContact CB-CB 4.27Å; D951-N953 PolarHBondContact O-N 3.35Å; D951-N953 VanDerWaalsContact OD1-CB 3.3Å; D951-N953 WeakPolarHBondContact OD1-CB 3.41Å; D951-N953 PolarHBondContact OD1-ND2 2.95Å; D951-N953 WeakPolarHBondContact OD2-CB 3.47Å; D951-N953 PolarHBondContact OD2-ND2 3.06Å | ||
| 952 | D | 35.3 | Very low | 31.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 54% | 0.54 | 67% | 0.674 | S | S | . | * | trans | -68.3 | 28 | 159.3 | -87.5 | -26.9 | 0 | 0 | 0 | 110.1 | R850 V950 D954 | R850-D952 IonicContact CZ-OD1 3.79Å; R850-D952 IonicContact NH2-OD1 2.83Å; R850-D952 PolarHBondContact NH2-OD1 3.12Å; V950-D952 PolarHBondContact O-N 3.4Å; V950-D952 VanDerWaalsContact O-N 3.07Å; D952-D954 PolarHBondContact O-N 2.78Å | ||
| 953 | N | 27.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 77.7 | 164.8 | -84.3 | -20.8 | 0 | 0 | 0 | 109.3 | D951 | D951-N953 HydrophobicContact CB-CB 4.27Å; D951-N953 PolarHBondContact O-N 3.35Å; D951-N953 VanDerWaalsContact OD1-CB 3.3Å; D951-N953 WeakPolarHBondContact OD1-CB 3.41Å; D951-N953 PolarHBondContact OD1-ND2 2.95Å; D951-N953 WeakPolarHBondContact OD2-CB 3.47Å; D951-N953 PolarHBondContact OD2-ND2 3.06Å |
| 954 | D | 30.5 | Very low | 30.5 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | 22.5 | 145.6 | -121.1 | -5.9 | 0 | 0 | 0 | 112.9 | D952 R956 | D952-D954 PolarHBondContact O-N 2.78Å; D954-R956 VanDerWaalsContact C-N 3.34Å; D954-R956 PolarHBondContact O-N 2.96Å |
| 955 | H | 26.8 | Very low | 29.8 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 75% | 0.75 | 70% | 0.699 | S | S | * | * | trans | -97.5 | 52 | 166.3 | -64 | -39.1 | 0 | 0 | 0 | 111.6 | I957 | H955-I957 HydrophobicContact CB-CG1 4.42Å; H955-I957 PolarHBondContact O-N 3.08Å | ||
| 956 | R | 23.3 | Very low | 29.2 | Very low | 237 Ų | 237 | 142.3 Ų | 142.3 | 89% | 0.894 | 72% | 0.719 | S | S | * | * | trans | -71.9 | 72.6 | 144.6 | -84.5 | -174.7 | 174.7 | 171.3 | 0.4 | 107.4 | D954 V958 | D954-R956 VanDerWaalsContact C-N 3.34Å; D954-R956 PolarHBondContact O-N 2.96Å; R956-V958 PolarHBondContact O-N 3.38Å | ||
| 957 | I | 25.9 | Very low | 28.5 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -66.3 | 98.6 | 163 | -64.4 | 178.7 | 0 | 0 | 0 | 105.3 | H955 N959 | H955-I957 HydrophobicContact CB-CG1 4.42Å; H955-I957 PolarHBondContact O-N 3.08Å; I957-N959 PolarHBondContact O-N 3.08Å; I957-N959 VanDerWaalsContact O-N 3.15Å | ||
| 958 | V | 27.4 | Very low | 27.8 | Very low | 104 Ų | 104 | 146 Ų | 146 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | trans | -41.9 | 116.5 | 163.1 | 172.8 | 0 | 0 | 0 | 0 | 107.5 | R956 H960 | R956-V958 PolarHBondContact O-N 3.38Å; V958-H960 HydrophobicContact CG1-CB 4.42Å; V958-H960 PolarHBondContact O-N 3.43Å | ||
| 959 | N | 25 | Very low | 27.7 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -56.6 | 88.4 | 164.8 | -83.8 | -23.5 | 0 | 0 | 0 | 108.5 | I957 | I957-N959 PolarHBondContact O-N 3.08Å; I957-N959 VanDerWaalsContact O-N 3.15Å | ||
| 960 | H | 26.8 | Very low | 27.3 | Very low | 148 Ų | 148 | 144 Ų | 144 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | -131.3 | 105 | 158.8 | -91.1 | -44.6 | 0 | 0 | 0 | 109.2 | V958 I962 | V958-H960 HydrophobicContact CG1-CB 4.42Å; V958-H960 PolarHBondContact O-N 3.43Å; H960-I962 PolarHBondContact O-N 3.04Å | ||
| 961 | N | 27.9 | Very low | 27 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -12.8 | 109.7 | 151 | -59.4 | -21 | 0 | 0 | 0 | 112.8 | ||||
| 962 | I | 24.3 | Very low | 26.8 | Very low | 151 Ų | 151 | 147 Ų | 147 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -126.2 | 94.9 | 160.5 | -62 | 178.7 | 0 | 0 | 0 | 106.9 | H960 | H960-I962 PolarHBondContact O-N 3.04Š| ||
| 963 | E | 25.4 | Very low | 26.6 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -53.8 | 135 | 156.6 | -70.9 | 176.2 | 149.7 | 0 | 0 | 109.8 | Y965 | E963-Y965 PolarHBondContact O-N 2.88Š| ||
| 964 | S | 25 | Very low | 26.6 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 11.7 | 104.4 | 153.1 | 57.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 965 | Y | 24.1 | Very low | 26.5 | Very low | 213 Ų | 213 | 147 Ų | 147 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -134.5 | 110.2 | 152.2 | -83.7 | -80.3 | 0 | 0 | 0 | 111.9 | E963 | E963-Y965 PolarHBondContact O-N 2.88Š| ||
| 966 | N | 24.7 | Very low | 26.5 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -56.8 | 127.7 | 159.5 | -76.6 | -48.9 | 0 | 0 | 0 | 110 | ||||
| 967 | L | 23.9 | Very low | 26.9 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -134.4 | 106.1 | 165.5 | -84.4 | 163.4 | 0 | 0 | 0 | 110.8 | ||||
| 968 | S | 22.4 | Very low | 27 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 161.5 | 162.1 | 38 | 0 | 0 | 0 | 0 | 112.6 | ||
| 969 | P | 34.7 | Very low | 27 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 131.1 | -152.8 | 32.4 | -32.6 | 0 | 0 | 0 | 113.1 | ||
| 970 | I | 26.9 | Very low | 26.9 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100 | 136.2 | 177.1 | -64.8 | 175.2 | 0 | 0 | 0 | 110.4 | ||
| 971 | H | 26.5 | Very low | 26.8 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 145.8 | -170.9 | -76.2 | -79.7 | 0 | 0 | 0 | 116.3 | ||
| 972 | S | 27.4 | Very low | 26.5 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.1 | 174.2 | 39.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 973 | P | 31.2 | Very low | 26.5 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 138.5 | 177.9 | 31 | -31 | 0 | 0 | 0 | 111.7 | C975 | P973-C975 PolarHBondContact O-N 2.97Š|
| 974 | S | 28.2 | Very low | 26.3 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -56.6 | 113.8 | 175.9 | 49 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 975 | C | 27.8 | Very low | 26.3 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 116.9 | 176.3 | -143.3 | 0 | 0 | 0 | 0 | 109.7 | P973 | P973-C975 PolarHBondContact O-N 2.97Š|
| 976 | L | 27.5 | Very low | 26.3 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 146 | 170.7 | -82.9 | 155.6 | 0 | 0 | 0 | 110.6 | K978 | L976-K978 PolarHBondContact O-N 3.29Š|
| 977 | P | 32 | Very low | 26.3 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78 | 121 | -163.7 | 30.3 | -32 | 0 | 0 | 0 | 111.6 | ||
| 978 | K | 28 | Very low | 26.3 | Very low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 142.8 | 165.4 | -82 | 179.9 | 176.6 | 176.2 | 0 | 109.5 | L976 E980 | L976-K978 PolarHBondContact O-N 3.29Å; K978-E980 PolarHBondContact O-N 3.49Å |
| 979 | P | 27.1 | Very low | 26.3 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67 | 126.4 | -171.4 | 26.8 | -32.1 | 0 | 0 | 0 | 111 | I981 | P979-I981 PolarHBondContact O-N 3.31Å; P979-I981 VanDerWaalsContact O-N 3.11Å |
| 980 | E | 23.7 | Very low | 25.7 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -62.1 | 103.8 | 174.3 | -77.8 | 179.1 | 143 | 0 | 0 | 110.4 | K978 T982 | K978-E980 PolarHBondContact O-N 3.49Å; E980-T982 HydrophobicContact CB-CG2 4.4Å | ||
| 981 | I | 24.7 | Very low | 25.5 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -96.4 | 87.6 | 152.5 | -56.8 | 176.8 | 0 | 0 | 0 | 105.4 | P979 Y983 | P979-I981 PolarHBondContact O-N 3.31Å; P979-I981 VanDerWaalsContact O-N 3.11Å; I981-Y983 HydrophobicContact CG2-CD2 3.97Å; I981-Y983 HydrophobicContact CG2-CE2 3.49Å; I981-Y983 VanDerWaalsContact CG2-CE2 3.49Å; I981-Y983 PolarHBondContact O-N 3.37Å | ||
| 982 | T | 21.1 | Very low | 25.2 | Very low | 108 Ų | 108 | 147 Ų | 147 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | trans | -67.1 | 96.9 | 177.1 | 36.6 | 0 | 0 | 0 | 0 | 110.5 | E980 | E980-T982 HydrophobicContact CB-CG2 4.4Š| ||
| 983 | Y | 24.2 | Very low | 25 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | -86.3 | 105.4 | 155.5 | -70.8 | -79.3 | 0 | 0 | 0 | 108.2 | I981 T985 | I981-Y983 HydrophobicContact CG2-CD2 3.97Å; I981-Y983 HydrophobicContact CG2-CE2 3.49Å; I981-Y983 VanDerWaalsContact CG2-CE2 3.49Å; I981-Y983 PolarHBondContact O-N 3.37Å; Y983-T985 VanDerWaalsContact C-N 3.33Å; Y983-T985 PolarHBondContact O-N 2.93Å | ||
| 984 | T | 21.7 | Very low | 24.7 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | trans | -73 | 83.4 | 174.6 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | N986 | T984-N986 VanDerWaalsContact C-N 3.3Å; T984-N986 PolarHBondContact O-N 2.86Å | ||
| 985 | T | 25.3 | Very low | 24.7 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -82.2 | 86 | 158.2 | 47.6 | 0 | 0 | 0 | 0 | 107.8 | Y983 K987 | Y983-T985 VanDerWaalsContact C-N 3.33Å; Y983-T985 PolarHBondContact O-N 2.93Å; T985-K987 PolarHBondContact O-N 2.5Å; T985-K987 VanDerWaalsContact O-N 3.11Å | ||
| 986 | N | 24.2 | Very low | 24.4 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -51.9 | 117.7 | 177.8 | -83.1 | -38.3 | 0 | 0 | 0 | 111.5 | T984 | T984-N986 VanDerWaalsContact C-N 3.3Å; T984-N986 PolarHBondContact O-N 2.86Å | ||
| 987 | K | 23.9 | Very low | 24.4 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 60.9 | 83.2 | 151.5 | -61 | -179.9 | 178.6 | 177 | 0 | 116.4 | T985 I989 | T985-K987 PolarHBondContact O-N 2.5Å; T985-K987 VanDerWaalsContact O-N 3.11Å; K987-I989 VanDerWaalsContact C-N 3.31Å; K987-I989 HydrophobicContact CB-CG1 4.23Å; K987-I989 PolarHBondContact O-N 3.4Å | ||
| 988 | V | 23.8 | Very low | 23.9 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | -66.5 | 94.6 | 147.4 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | K990 | V988-K990 PolarHBondContact O-N 3.33Š| ||
| 989 | I | 21.5 | Very low | 23.8 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -73.5 | 105.8 | 171.5 | -61.2 | 177.1 | 0 | 0 | 0 | 107 | K987 I991 | K987-I989 VanDerWaalsContact C-N 3.31Å; K987-I989 HydrophobicContact CB-CG1 4.23Å; K987-I989 PolarHBondContact O-N 3.4Å; I989-I991 PolarHBondContact O-N 3.32Å | ||
| 990 | K | 22.3 | Very low | 23.6 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | -55.9 | 109.7 | 164 | -86.6 | 180 | 174.4 | 175 | 0 | 108.2 | V988 R992 | V988-K990 PolarHBondContact O-N 3.33Å; K990-R992 PolarHBondContact O-N 2.89Å | ||
| 991 | I | 23.6 | Very low | 23.6 | Very low | 150 Ų | 150 | 143 Ų | 143 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -60.5 | 105.8 | 171.6 | -61.9 | 170.1 | 0 | 0 | 0 | 107 | I989 S993 | I989-I991 PolarHBondContact O-N 3.32Å; I991-S993 PolarHBondContact O-N 3.44Å | ||
| 992 | R | 19.8 | Very low | 23.6 | Very low | 224 Ų | 224 | 142.4 Ų | 142.4 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -68.4 | 127 | 174.1 | -108.1 | -179.6 | 175.9 | 169.5 | -1.6 | 108.7 | K990 N994 | K990-R992 PolarHBondContact O-N 2.89Å; R992-N994 PolarHBondContact O-N 3.44Å | ||
| 993 | S | 24.5 | Very low | 23.8 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -69.1 | 93.9 | 171.7 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | I991 | I991-S993 PolarHBondContact O-N 3.44Š| ||
| 994 | N | 24.1 | Very low | 23.9 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -98.6 | 99.1 | 166 | -87 | 1 | 0 | 0 | 0 | 108.8 | R992 | R992-N994 PolarHBondContact O-N 3.44Š| ||
| 995 | Y | 27.8 | Very low | 24.1 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -119.1 | 103.6 | 165.2 | -75.4 | -80.3 | 0 | 0 | 0 | 108.8 | ||||
| 996 | G | 22.6 | Very low | 24 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -127.1 | 95.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 997 | V | 26.7 | Very low | 24.1 | Very low | 120 Ų | 120 | 139 Ų | 139 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -107.2 | 102.3 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | S999 | V997-S999 PolarHBondContact O-N 3.35Š| ||
| 998 | N | 22.5 | Very low | 24.1 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -75.4 | 106.4 | 165.5 | -80.3 | -13.4 | 0 | 0 | 0 | 107.8 | ||||
| 999 | S | 25.4 | Very low | 24.3 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -84.8 | 113.3 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | V997 | V997-S999 PolarHBondContact O-N 3.35Š| ||
| 1000 | S | 22.4 | Very low | 24.4 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 91.6 | 158.7 | 51.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1001 | I | 24 | Very low | 24.5 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -124.3 | 123.4 | 172.1 | -61.1 | 177 | 0 | 0 | 0 | 107.5 | ||||
| 1002 | P | 25.4 | Very low | 24.6 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -80.4 | 140.7 | 172.6 | -0.2 | 17.9 | 0 | 0 | 0 | 111.4 | ||||
| 1003 | S | 24.9 | Very low | 24.7 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -59.6 | 135.5 | 176.5 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1004 | S | 26.6 | Very low | 24.8 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -144.2 | 138.9 | 156.6 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1005 | N | 25.7 | Very low | 24.7 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -71.5 | 149.2 | -153.9 | -72.5 | -34.6 | 0 | 0 | 0 | 117 | ||||
| 1006 | S | 23.1 | Very low | 24.7 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -56.1 | 140.8 | 165.4 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1007 | S | 25.9 | Very low | 24.9 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -130.4 | 117.4 | 151.4 | 48.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1008 | I | 23.5 | Very low | 24.9 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -83 | 125.9 | -179.1 | -66 | 163.2 | 0 | 0 | 0 | 107.3 | ||||
| 1009 | I | 27.5 | Very low | 25.1 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | -119.6 | 112.5 | 165.6 | -62.5 | 179.5 | 0 | 0 | 0 | 107.5 | ||||
| 1010 | S | 25.3 | Very low | 25 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 142.4 | -175.9 | 44.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1011 | N | 23 | Very low | 25.1 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -54.5 | 141.7 | 172.7 | -67.9 | -33.8 | 0 | 0 | 0 | 113.9 | ||||
| 1012 | S | 25.7 | Very low | 25.1 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -123.6 | 107.8 | 155.7 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1013 | T | 23.2 | Very low | 25.1 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | trans | -83.7 | 112.9 | 173 | 40 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1014 | N | 25.7 | Very low | 25 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -105.3 | 106.8 | 168.4 | -86.7 | -11 | 0 | 0 | 0 | 109.8 | ||||
| 1015 | T | 22.5 | Very low | 24.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -71.3 | 118.9 | 168.7 | 41.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1016 | T | 27.6 | Very low | 24.8 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -106.2 | 116 | 169.9 | 45.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1017 | N | 25.9 | Very low | 24.9 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.8 | 179.2 | -74.8 | -26.8 | 0 | 0 | 0 | 112.5 | ||
| 1018 | T | 27.2 | Very low | 24.7 | Very low | 138 Ų | 138 | 136 Ų | 136 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 119.7 | 170.6 | 43.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1019 | T | 25.8 | Very low | 25 | Very low | 140 Ų | 140 | 135 Ų | 135 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 116.6 | 172.6 | 33.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1020 | S | 23.5 | Very low | 25 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 120.6 | 175.9 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1021 | T | 26 | Very low | 25.1 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -90.2 | 107.9 | 170.7 | 32.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1022 | N | 24 | Very low | 25.3 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -73.5 | 121.7 | 173.5 | -77.9 | -23.8 | 0 | 0 | 0 | 110.5 | ||||
| 1023 | I | 25.3 | Very low | 25.3 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -100.9 | 112.6 | 171.5 | -61.9 | 174.9 | 0 | 0 | 0 | 107.9 | I1025 | I1023-I1025 HydrophobicContact CG2-CG1 4.08Š| ||
| 1024 | T | 21.9 | Very low | 25.3 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -91.4 | 117 | 175.5 | -45.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1025 | I | 25.6 | Very low | 25.3 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | trans | -107.4 | 114.4 | 174 | -57.6 | 177.8 | 0 | 0 | 0 | 108 | I1023 | I1023-I1025 HydrophobicContact CG2-CG1 4.08Š| ||
| 1026 | T | 22.7 | Very low | 25.3 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 116.2 | 177.4 | 35 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1027 | S | 24.3 | Very low | 25.2 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 122.3 | 173.9 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1028 | T | 23.4 | Very low | 25 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89 | 141.9 | 173.3 | 40.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1029 | P | 28.6 | Very low | 24.9 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 134.1 | -166.4 | 33.8 | -31.4 | 0 | 0 | 0 | 112 | ||
| 1030 | T | 28 | Very low | 24.9 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -107.7 | 137.6 | 168.6 | 44.8 | 0 | 0 | 0 | 0 | 109.8 | N1032 | T1030-N1032 PolarHBondContact O-N 3.44Š| ||
| 1031 | T | 27.4 | Very low | 25.1 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -75.5 | 104.3 | -165.2 | 38.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1032 | N | 26.5 | Very low | 25 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -82 | 116.8 | 168.9 | -85 | -21.1 | 0 | 0 | 0 | 110.2 | T1030 E1034 | T1030-N1032 PolarHBondContact O-N 3.44Å; N1032-E1034 PolarHBondContact O-N 3.33Å | ||
| 1033 | R | 25.4 | Very low | 25.1 | Very low | 240 Ų | 240 | 148.9 Ų | 148.9 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -77.6 | 114.2 | 168.6 | -74.5 | -179.3 | 172.8 | 172.2 | -2.2 | 108.8 | ||||
| 1034 | E | 23.8 | Very low | 25.1 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -66.9 | 127.3 | 174.5 | -70.4 | 177.2 | 151.8 | 0 | 0 | 111 | N1032 | N1032-E1034 PolarHBondContact O-N 3.33Š| ||
| 1035 | I | 25.1 | Very low | 25.4 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -98.2 | 107.2 | 165.8 | -64.2 | 175.5 | 0 | 0 | 0 | 106.3 | I1037 | I1035-I1037 HydrophobicContact CG2-CG1 4.43Å; I1035-I1037 PolarHBondContact O-N 3.22Å | ||
| 1036 | I | 23.5 | Very low | 25.3 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | trans | -76.1 | 105.3 | 177.9 | -61.3 | 171.4 | 0 | 0 | 0 | 108.1 | M1038 | I1036-M1038 HydrophobicContact CG2-CG 4.28Š| ||
| 1037 | I | 26 | Very low | 25.5 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -88.5 | 105.5 | 168.4 | -60.1 | 176.4 | 0 | 0 | 0 | 106.8 | I1035 S1039 | I1035-I1037 HydrophobicContact CG2-CG1 4.43Å; I1035-I1037 PolarHBondContact O-N 3.22Å; I1037-S1039 PolarHBondContact O-N 3.46Å | ||
| 1038 | M | 21.1 | Very low | 25.8 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -68 | 109.8 | 177 | -67.7 | -142.4 | -68.8 | 0 | 0 | 110.4 | I1036 | I1036-M1038 HydrophobicContact CG2-CG 4.28Š| ||
| 1039 | S | 25 | Very low | 26 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -78.3 | 122.2 | 171.4 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | I1037 I1041 | I1037-S1039 PolarHBondContact O-N 3.46Å; S1039-I1041 PolarHBondContact O-N 3.31Å | ||
| 1040 | S | 25.1 | Very low | 25.7 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -68.1 | 112.4 | 177.4 | 165.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1041 | I | 27.4 | Very low | 25.7 | Very low | 134 Ų | 134 | 153.9 Ų | 153.9 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | trans | 29.3 | 103.3 | 146.3 | -54.3 | 171.7 | 0 | 0 | 0 | 116.1 | S1039 Y1043 | S1039-I1041 PolarHBondContact O-N 3.31Å; I1041-Y1043 PolarHBondContact O-N 3.31Å | ||
| 1042 | N | 24.6 | Very low | 25.7 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -59.9 | 118.4 | 165.1 | -81.2 | -23.4 | 0 | 0 | 0 | 110.8 | ||||
| 1043 | Y | 27.1 | Very low | 25.7 | Very low | 207 Ų | 207 | 148.8 Ų | 148.8 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -91.5 | 112.8 | 156 | -89.6 | -85.4 | 0 | 0 | 0 | 108.5 | I1041 L1045 | I1041-Y1043 PolarHBondContact O-N 3.31Å; Y1043-L1045 PolarHBondContact O-N 3.29Å; Y1043-L1045 VanDerWaalsContact O-N 3.17Å | ||
| 1044 | D | 24.2 | Very low | 25.8 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -61.1 | 107.4 | 167.2 | -88.3 | -37.8 | 0 | 0 | 0 | 109.8 | ||||
| 1045 | L | 27.8 | Very low | 25.9 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -117.2 | 79.7 | 164.1 | -87.4 | 159.2 | 0 | 0 | 0 | 108.2 | Y1043 S1047 | Y1043-L1045 PolarHBondContact O-N 3.29Å; Y1043-L1045 VanDerWaalsContact O-N 3.17Å; L1045-S1047 PolarHBondContact O-N 3.41Å | ||
| 1046 | T | 24.7 | Very low | 26 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -76.1 | 104.1 | 164.2 | 44.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1047 | S | 27.1 | Very low | 26.2 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -171.6 | 129.1 | 139.4 | 44.7 | 0 | 0 | 0 | 0 | 110.7 | L1045 T1049 | L1045-S1047 PolarHBondContact O-N 3.41Å; S1047-T1049 PolarHBondContact O-N 3.5Å | ||
| 1048 | P | 30.4 | Very low | 26.1 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -87.3 | 109.4 | -168.6 | 33.4 | -30.6 | 0 | 0 | 0 | 110.3 | ||||
| 1049 | T | 26.4 | Very low | 26.4 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -90.6 | 104.3 | 159.4 | 29 | 0 | 0 | 0 | 0 | 108.5 | S1047 V1051 | S1047-T1049 PolarHBondContact O-N 3.5Å; T1049-V1051 VanDerWaalsContact C-N 3.29Å; T1049-V1051 PolarHBondContact O-N 2.67Å | ||
| 1050 | R | 24.2 | Very low | 26.6 | Very low | 250 Ų | 250 | 141.5 Ų | 141.5 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | trans | -63.2 | 82.8 | 177 | -161.2 | -178.9 | -168 | -174.2 | 3.2 | 109.4 | ||||
| 1051 | V | 27.5 | Very low | 26.7 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -90.1 | 104.3 | 169.1 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | T1049 G1053 | T1049-V1051 VanDerWaalsContact C-N 3.29Å; T1049-V1051 PolarHBondContact O-N 2.67Å; V1051-G1053 PolarHBondContact O-N 3.28Å | ||
| 1052 | S | 27.6 | Very low | 26.9 | Very low | 110 Ų | 110 | 152.1 Ų | 152.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -55.2 | 106.4 | 170.9 | 51 | 0 | 0 | 0 | 0 | 109.6 | G1054 | S1052-G1054 VanDerWaalsContact C-N 3.3Å; S1052-G1054 PolarHBondContact O-N 2.77Å | ||
| 1053 | G | 25.4 | Very low | 27.3 | Very low | 83 Ų | 83 | 151 Ų | 151 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -66.8 | 88 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | V1051 A1055 | V1051-G1053 PolarHBondContact O-N 3.28Å; G1053-A1055 PolarHBondContact O-N 2.67Å | ||
| 1054 | G | 27.2 | Very low | 27.4 | Very low | 64 Ų | 64 | 150.7 Ų | 150.7 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | -70.4 | 109.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | S1052 V1056 | S1052-G1054 VanDerWaalsContact C-N 3.3Å; S1052-G1054 PolarHBondContact O-N 2.77Å; G1054-V1056 PolarHBondContact O-N 2.77Å | ||
| 1055 | A | 26.3 | Very low | 27.7 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -57.1 | 118 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | G1053 D1057 | G1053-A1055 PolarHBondContact O-N 2.67Å; A1055-D1057 VanDerWaalsContact C-N 3.34Å; A1055-D1057 PolarHBondContact O-N 2.87Å | ||
| 1056 | V | 27.4 | Very low | 27.6 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -73.2 | 92.7 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | G1054 I1058 | G1054-V1056 PolarHBondContact O-N 2.77Å; V1056-I1058 PolarHBondContact O-N 3.35Å | ||
| 1057 | D | 27.1 | Very low | 27.8 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 58% | 0.583 | 80% | 0.797 | S | S | * | * | trans | -65.9 | 108 | 170.3 | -171.1 | 7.1 | 0 | 0 | 0 | 108.8 | A1055 R1059 | A1055-D1057 VanDerWaalsContact C-N 3.34Å; A1055-D1057 PolarHBondContact O-N 2.87Å; D1057-R1059 PolarHBondContact O-N 3.14Å; D1057-R1059 WeakPolarHBondContact OD1-CG 3.41Å; D1057-R1059 IonicContact OD1-NE 3.26Å; D1057-R1059 WeakPolarHBondContact OD2-CD 3.37Å; D1057-R1059 IonicContact OD2-NE 2.62Å | ||
| 1058 | I | 25.2 | Very low | 27.8 | Very low | 155 Ų | 155 | 159.8 Ų | 159.8 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | trans | -76.9 | 58.9 | 174.7 | -55.7 | 167.7 | 0 | 0 | 0 | 108 | V1056 | V1056-I1058 PolarHBondContact O-N 3.35Š| ||
| 1059 | R | 27.8 | Very low | 27.7 | Very low | 197 Ų | 197 | 162.3 Ų | 162.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -95.9 | 104.9 | 160.4 | -77.7 | 178 | -173.3 | -172.9 | -0.6 | 106.9 | D1057 R1061 | D1057-R1059 PolarHBondContact O-N 3.14Å; D1057-R1059 WeakPolarHBondContact OD1-CG 3.41Å; D1057-R1059 IonicContact OD1-NE 3.26Å; D1057-R1059 WeakPolarHBondContact OD2-CD 3.37Å; D1057-R1059 IonicContact OD2-NE 2.62Å; R1059-R1061 PolarHBondContact O-N 3.08Å | ||
| 1060 | R | 29 | Very low | 27.9 | Very low | 242 Ų | 242 | 163.1 Ų | 163.1 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -45 | 96.4 | 172.2 | -74 | 176.2 | 173.5 | 164 | -2.4 | 109.5 | R1062 | R1060-R1062 VanDerWaalsContact C-N 3.27Å; R1060-R1062 PolarHBondContact O-N 3.24Å | ||
| 1061 | R | 27.2 | Very low | 28.4 | Very low | 236 Ų | 236 | 157.8 Ų | 157.8 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -61.7 | 94 | 162.1 | -88.4 | -178.4 | 167.9 | 141.4 | -3 | 106.6 | R1059 D1063 | R1059-R1061 PolarHBondContact O-N 3.08Å; R1061-D1063 PolarHBondContact O-N 2.83Å | ||
| 1062 | R | 30.8 | Very low | 28.4 | Very low | 234 Ų | 234 | 156.8 Ų | 156.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -73.8 | 103.1 | 158.5 | -101.6 | -179.8 | 172.9 | 157.6 | -2.9 | 105.8 | R1060 K1064 | R1060-R1062 VanDerWaalsContact C-N 3.27Å; R1060-R1062 PolarHBondContact O-N 3.24Å; R1062-K1064 PolarHBondContact O-N 3.22Å; R1062-K1064 VanDerWaalsContact O-N 3.16Å | ||
| 1063 | D | 32.1 | Very low | 28.4 | Very low | 137 Ų | 137 | 158 Ų | 158 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -50.5 | 119.3 | 172.3 | -77.4 | -37.1 | 0 | 0 | 0 | 109.9 | R1061 N1065 | R1061-D1063 PolarHBondContact O-N 2.83Å; D1063-N1065 PolarHBondContact O-N 3.34Å | ||
| 1064 | K | 29.6 | Very low | 28.8 | Very low | 200 Ų | 200 | 163.6 Ų | 163.6 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -71 | 71.6 | 173.6 | -72.7 | 179.8 | 175.1 | 176.1 | 0 | 109.5 | R1062 K1066 | R1062-K1064 PolarHBondContact O-N 3.22Å; R1062-K1064 VanDerWaalsContact O-N 3.16Å; K1064-K1066 VanDerWaalsContact C-N 3.35Å; K1064-K1066 PolarHBondContact O-N 3.14Å | ||
| 1065 | N | 30.1 | Very low | 29.1 | Very low | 145 Ų | 145 | 170.2 Ų | 170.2 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | trans | -85.6 | 87.4 | 159.4 | -84.4 | -18.5 | 0 | 0 | 0 | 108.4 | D1063 R1067 | D1063-N1065 PolarHBondContact O-N 3.34Å; N1065-R1067 PolarHBondContact O-N 3.04Å | ||
| 1066 | K | 27.5 | Very low | 29.2 | Very low | 193 Ų | 193 | 173.9 Ų | 173.9 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -53.9 | 97.7 | 162.1 | -79.1 | 179.6 | 172.4 | -178.7 | 0 | 108.3 | K1064 | K1064-K1066 VanDerWaalsContact C-N 3.35Å; K1064-K1066 PolarHBondContact O-N 3.14Å | ||
| 1067 | R | 28.4 | Very low | 29.3 | Very low | 202 Ų | 202 | 176.1 Ų | 176.1 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -106.6 | 106.1 | 156.7 | -76.7 | -170.3 | 177.8 | -175.4 | -0.2 | 106.9 | N1065 Y1069 | N1065-R1067 PolarHBondContact O-N 3.04Å; R1067-Y1069 HydrophobicContact CB-CD2 4.38Å; R1067-Y1069 HydrophobicContact CB-CE2 4.32Å; R1067-Y1069 PolarHBondContact O-N 3.42Å; R1067-Y1069 VanDerWaalsContact O-N 3.13Å | ||
| 1068 | H | 27 | Very low | 29.4 | Very low | 180 Ų | 180 | 179.8 Ų | 179.8 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | trans | -48.3 | 113.2 | 164.3 | -84.1 | -88 | 0 | 0 | 0 | 108.4 | ||||
| 1069 | Y | 28.7 | Very low | 29.7 | Very low | 184 Ų | 184 | 181.2 Ų | 181.2 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | -116.9 | 98.8 | 159.7 | -89.3 | -79.7 | 0 | 0 | 0 | 105.9 | R1067 L1071 | R1067-Y1069 HydrophobicContact CB-CD2 4.38Å; R1067-Y1069 HydrophobicContact CB-CE2 4.32Å; R1067-Y1069 PolarHBondContact O-N 3.42Å; R1067-Y1069 VanDerWaalsContact O-N 3.13Å; Y1069-L1071 HydrophobicContact CD1-CD1 4.49Å; Y1069-L1071 PolarHBondContact O-N 3.13Å | ||
| 1070 | D | 30.3 | Very low | 29.8 | Very low | 150 Ų | 150 | 180.3 Ų | 180.3 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -55.8 | 117.7 | 156.5 | -91.6 | -32.8 | 0 | 0 | 0 | 107.6 | ||||
| 1071 | L | 33.3 | Very low | 29.8 | Very low | 138 Ų | 138 | 176.1 Ų | 176.1 | 72% | 0.723 | 83% | 0.827 | S | S | * | * | trans | -138.1 | 72.8 | 160.6 | -92.9 | 119.3 | 0 | 0 | 0 | 107.3 | Y1069 D1073 | Y1069-L1071 HydrophobicContact CD1-CD1 4.49Å; Y1069-L1071 PolarHBondContact O-N 3.13Å; L1071-D1073 PolarHBondContact O-N 3.47Å | ||
| 1072 | S | 27.6 | Very low | 30 | Very low | 103 Ų | 103 | 171.9 Ų | 171.9 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | -58.7 | 97.1 | 135.7 | 53.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1073 | D | 29.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 167.1 Ų | 167.1 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | 168.3 | 94.8 | 147 | -90.7 | -16.5 | 0 | 0 | 0 | 108.8 | L1071 | L1071-D1073 PolarHBondContact O-N 3.47Š| ||
| 1074 | K | 33.5 | Very low | 29.8 | Very low | 202 Ų | 202 | 169.6 Ų | 169.6 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | trans | -176.1 | 100.4 | 136.3 | -96.7 | 159.7 | -170.1 | -172.7 | 0 | 107.6 | ||||
| 1075 | T | 31.7 | Very low | 29.8 | Very low | 203 Ų | 203 | 166.8 Ų | 166.8 | 100% | 1.245 | 82% | 0.82 | S | S | * | * | trans | -28.9 | 0 | 136.8 | 48.2 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 1,075 of 1,075 residues in 3007.1 ms
(Link to these results)