| 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 | 60.7 | Low | 53.3 | Low | 199 Ų | 199 | 114.1 Ų | 114.1 | 98% | 0.98 | 61% | 0.609 | S | S | * | * | 0 | -47.3 | 0 | -141.4 | 165.7 | 81.3 | 0 | 0 | 112.7 | A3 V4 L5 | M1-A3 PolarHBondContact O-N 3Å; M1-V4 PolarHBondContact O-N 3.5Å; M1-L5 PolarHBondContact O-N 3.36Å | |||
| 2 | Y | 54.9 | Low | 53.7 | Low | 202 Ų | 202 | 111.4 Ų | 111.4 | 79% | 0.792 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.6 | -39.6 | -179.6 | -69.8 | -79.9 | 0 | 0 | 0 | 115.8 | V4 L5 L6 | Y2-V4 PolarHBondContact O-N 3.05Å; Y2-L5 PolarHBondContact O-N 3.37Å; Y2-L6 PolarHBondContact O-N 2.71Å |
| 3 | A | 53 | Low | 53.7 | Low | 75 Ų | 75 | 110.1 Ų | 110.1 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.7 | -36.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1 T7 | M1-A3 PolarHBondContact O-N 3Å; A3-T7 PolarHBondContact O-N 3.36Å; A3-T7 PolarHBondContact O-OG1 2.97Å |
| 4 | V | 59.5 | Low | 53.3 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 58% | 0.582 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.8 | -41.2 | 177.5 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | M1 Y2 L6 T7 L8 | M1-V4 PolarHBondContact O-N 3.5Å; Y2-V4 PolarHBondContact O-N 3.05Å; V4-L6 PolarHBondContact O-N 3.31Å; V4-T7 PolarHBondContact O-N 3.35Å; V4-L8 HydrophobicContact CG1-CD1 4Å; V4-L8 WeakPolarHBondContact O-CB 3.36Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 3.42Å |
| 5 | L | 55.5 | Low | 53.4 | Low | 105 Ų | 105 | 107.3 Ų | 107.3 | 55% | 0.55 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.1 | -42.8 | 176.7 | -137.3 | 97 | 0 | 0 | 0 | 111.5 | M1 Y2 L8 L9 | M1-L5 PolarHBondContact O-N 3.36Å; Y2-L5 PolarHBondContact O-N 3.37Å; L5-L8 PolarHBondContact O-N 2.86Å; L5-L9 HydrophobicContact CD2-CD1 4.36Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CD1 3.32Å; L5-L9 WeakPolarHBondContact O-CG 3.2Å; L5-L9 PolarHBondContact O-N 3.25Å |
| 6 | L | 50.9 | Low | 53.6 | Low | 99 Ų | 99 | 106.1 Ų | 106.1 | 52% | 0.518 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -45.6 | 177.2 | -131.8 | 94.9 | 0 | 0 | 0 | 111.1 | Y2 V4 L8 L9 F10 | Y2-L6 PolarHBondContact O-N 2.71Å; V4-L6 PolarHBondContact O-N 3.31Å; L6-L8 PolarHBondContact O-N 3.45Å; L6-L9 PolarHBondContact O-N 2.97Å; L6-F10 HydrophobicContact CD2-CD2 4.06Å; L6-F10 HydrophobicContact CD2-CE2 3.62Å; L6-F10 HydrophobicContact CG-CD2 4.12Å; L6-F10 HydrophobicContact CG-CE2 3.93Å; L6-F10 VanDerWaalsContact O-CD2 3.24Å; L6-F10 WeakPolarHBondContact O-CD2 3.29Å; L6-F10 PolarHBondContact O-N 2.66Å |
| 7 | T | 60.4 | Low | 53.7 | Low | 100 Ų | 100 | 103.5 Ų | 103.5 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.9 | -39.4 | -178.4 | -46 | 0 | 0 | 0 | 0 | 111.6 | A3 V4 G11 | A3-T7 PolarHBondContact O-N 3.36Å; A3-T7 PolarHBondContact O-OG1 2.97Å; V4-T7 PolarHBondContact O-N 3.35Å; T7-G11 PolarHBondContact O-N 2.95Å |
| 8 | L | 52.4 | Low | 53.9 | Low | 115 Ų | 115 | 105.7 Ų | 105.7 | 60% | 0.602 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66 | -39.5 | 174.4 | -73.3 | 169.5 | 0 | 0 | 0 | 112.1 | V4 L5 L6 T12 | V4-L8 HydrophobicContact CG1-CD1 4Å; V4-L8 WeakPolarHBondContact O-CB 3.36Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 3.42Å; L5-L8 PolarHBondContact O-N 2.86Å; L6-L8 PolarHBondContact O-N 3.45Å; L8-T12 WeakPolarHBondContact O-CB 3.4Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.83Å |
| 9 | L | 47.1 | Very low | 54.8 | Low | 90 Ų | 90 | 104.3 Ų | 104.3 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.4 | -48.2 | 174.8 | -78.5 | 163.5 | 0 | 0 | 0 | 111.6 | L5 L6 G11 T12 I13 | L5-L9 HydrophobicContact CD2-CD1 4.36Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CD1 3.32Å; L5-L9 WeakPolarHBondContact O-CG 3.2Å; L5-L9 PolarHBondContact O-N 3.25Å; L6-L9 PolarHBondContact O-N 2.97Å; L9-G11 VanDerWaalsContact C-N 3.35Å; L9-G11 PolarHBondContact O-N 3.49Å; L9-T12 WeakPolarHBondContact CA-OG1 3.48Å; L9-T12 PolarHBondContact O-N 3.47Å; L9-T12 PolarHBondContact O-OG1 3.47Å; L9-T12 VanDerWaalsContact O-OG1 3.11Å; L9-I13 WeakPolarHBondContact O-CB 3.47Å; L9-I13 WeakPolarHBondContact O-CD1 3.17Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.38Å |
| 10 | F | 50.2 | Low | 55.5 | Low | 139 Ų | 139 | 101.3 Ų | 101.3 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.8 | -41 | 176.5 | -85.9 | -74.9 | 0 | 0 | 0 | 111.9 | L6 C14 | L6-F10 HydrophobicContact CD2-CD2 4.06Å; L6-F10 HydrophobicContact CD2-CE2 3.62Å; L6-F10 HydrophobicContact CG-CD2 4.12Å; L6-F10 HydrophobicContact CG-CE2 3.93Å; L6-F10 VanDerWaalsContact O-CD2 3.24Å; L6-F10 WeakPolarHBondContact O-CD2 3.29Å; L6-F10 PolarHBondContact O-N 2.66Å; F10-C14 WeakPolarHBondContact O-CB 3.44Å; F10-C14 PolarHBondContact O-N 2.93Å |
| 11 | G | 42 | Very low | 56.3 | Low | 35 Ų | 35 | 100.2 Ų | 100.2 | 36% | 0.361 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T7 L9 C14 C15 | T7-G11 PolarHBondContact O-N 2.95Å; L9-G11 VanDerWaalsContact C-N 3.35Å; L9-G11 PolarHBondContact O-N 3.49Å; G11-C14 PolarHBondContact O-N 2.9Å; G11-C15 WeakPolarHBondContact O-CB 3.31Å; G11-C15 PolarHBondContact O-N 3.4Å; G11-C15 PolarHBondContact O-SG 3.01Å |
| 12 | T | 58 | Low | 57.3 | Low | 82 Ų | 82 | 94.4 Ų | 94.4 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 178 | 41.5 | 0 | 0 | 0 | 0 | 112.8 | L8 L9 T16 | L8-T12 WeakPolarHBondContact O-CB 3.4Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.83Å; L9-T12 WeakPolarHBondContact CA-OG1 3.48Å; L9-T12 PolarHBondContact O-N 3.47Å; L9-T12 PolarHBondContact O-OG1 3.47Å; L9-T12 VanDerWaalsContact O-OG1 3.11Å; T12-T16 WeakPolarHBondContact O-CB 3.37Å; T12-T16 WeakPolarHBondContact O-CG2 3.13Å; T12-T16 PolarHBondContact O-N 3.03Å; T12-T16 PolarHBondContact O-OG1 3.07Å |
| 13 | I | 53.2 | Low | 58.8 | Low | 94 Ų | 94 | 86.4 Ų | 86.4 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 173.7 | -66.2 | 165.2 | 0 | 0 | 0 | 110.4 | L9 T16 V17 | L9-I13 WeakPolarHBondContact O-CB 3.47Å; L9-I13 WeakPolarHBondContact O-CD1 3.17Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.38Å; I13-T16 WeakPolarHBondContact CA-OG1 3.34Å; I13-T16 PolarHBondContact O-N 3.08Å; I13-T16 PolarHBondContact O-OG1 3.45Å; I13-V17 HydrophobicContact CG2-CG2 4.42Å; I13-V17 VanDerWaalsContact O-CG2 3.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.42Å; I13-V17 PolarHBondContact O-N 2.98Å; I13-V17 VanDerWaalsContact O-N 3.08Å |
| 14 | C | 48.4 | Very low | 60.2 | Low | 87 Ų | 87 | 83.7 Ų | 83.7 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 179.4 | -158 | 0 | 0 | 0 | 0 | 111.7 | F10 G11 T16 F18 | F10-C14 WeakPolarHBondContact O-CB 3.44Å; F10-C14 PolarHBondContact O-N 2.93Å; G11-C14 PolarHBondContact O-N 2.9Å; C14-T16 PolarHBondContact O-N 3.24Å; C14-F18 VanDerWaalsContact O-CB 3.29Å; C14-F18 WeakPolarHBondContact O-CB 3.5Å; C14-F18 PolarHBondContact O-N 3.11Å |
| 15 | C | 55 | Low | 61 | Low | 91 Ų | 91 | 82.9 Ų | 82.9 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -40.1 | 177.4 | -71.4 | 0 | 0 | 0 | 0 | 113 | G11 S19 | G11-C15 WeakPolarHBondContact O-CB 3.31Å; G11-C15 PolarHBondContact O-N 3.4Å; G11-C15 PolarHBondContact O-SG 3.01Å; C15-S19 WeakPolarHBondContact O-CB 3.32Å; C15-S19 PolarHBondContact O-N 3.02Å |
| 16 | T | 56.9 | Low | 62.3 | Low | 88 Ų | 88 | 81 Ų | 81 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.3 | -43.6 | 179.9 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | T12 I13 C14 Q20 | T12-T16 WeakPolarHBondContact O-CB 3.37Å; T12-T16 WeakPolarHBondContact O-CG2 3.13Å; T12-T16 PolarHBondContact O-N 3.03Å; T12-T16 PolarHBondContact O-OG1 3.07Å; I13-T16 WeakPolarHBondContact CA-OG1 3.34Å; I13-T16 PolarHBondContact O-N 3.08Å; I13-T16 PolarHBondContact O-OG1 3.45Å; C14-T16 PolarHBondContact O-N 3.24Å; T16-Q20 WeakPolarHBondContact O-CB 3.49Å; T16-Q20 PolarHBondContact O-N 3.07Å |
| 17 | V | 55.1 | Low | 63.7 | Low | 63 Ų | 63 | 76.3 Ų | 76.3 | 38% | 0.382 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | I13 Q20 K21 | I13-V17 HydrophobicContact CG2-CG2 4.42Å; I13-V17 VanDerWaalsContact O-CG2 3.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.42Å; I13-V17 PolarHBondContact O-N 2.98Å; I13-V17 VanDerWaalsContact O-N 3.08Å; V17-Q20 PolarHBondContact O-N 2.67Å; V17-K21 HydrophobicContact CG1-CD 4.37Å; V17-K21 WeakPolarHBondContact O-CG 3.29Å; V17-K21 PolarHBondContact O-N 3.42Å |
| 18 | F | 57.9 | Low | 64.4 | Low | 143 Ų | 143 | 71.8 Ų | 71.8 | 63% | 0.627 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.3 | -45 | 178.3 | -171.7 | -95.9 | 0 | 0 | 0 | 111.8 | C14 Q20 K21 Q22 | C14-F18 VanDerWaalsContact O-CB 3.29Å; C14-F18 WeakPolarHBondContact O-CB 3.5Å; C14-F18 PolarHBondContact O-N 3.11Å; F18-Q20 VanDerWaalsContact C-N 3.34Å; F18-Q20 PolarHBondContact O-N 3.47Å; F18-K21 PolarHBondContact O-N 2.82Å; F18-Q22 PolarHBondContact O-N 3.05Å |
| 19 | S | 69.2 | Low | 65.4 | Low | 78 Ų | 78 | 70.9 Ų | 70.9 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | C15 Q22 C23 | C15-S19 WeakPolarHBondContact O-CB 3.32Å; C15-S19 PolarHBondContact O-N 3.02Å; S19-Q22 PolarHBondContact O-N 3.03Å; S19-C23 PolarHBondContact O-N 3.41Å |
| 20 | Q | 69.6 | Low | 66.7 | Low | 45 Ų | 45 | 75.1 Ų | 75.1 | 21% | 0.21 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 177.4 | 179.2 | 169.4 | 50.3 | 0 | 0 | 112.8 | T16 V17 F18 Q22 C23 L24 A88 D89 S90 | T16-Q20 WeakPolarHBondContact O-CB 3.49Å; T16-Q20 PolarHBondContact O-N 3.07Å; V17-Q20 PolarHBondContact O-N 2.67Å; F18-Q20 VanDerWaalsContact C-N 3.34Å; F18-Q20 PolarHBondContact O-N 3.47Å; Q20-Q22 VanDerWaalsContact C-N 3.31Å; Q20-Q22 PolarHBondContact O-N 2.93Å; Q20-C23 PolarHBondContact O-N 3.34Å; Q20-L24 PolarHBondContact O-N 3.2Å; Q20-A88 HydrophobicContact CB-CB 4.48Å; Q20-A88 HydrophobicContact CG-CB 4.22Å; Q20-A88 VanDerWaalsContact NE2-C 3.3Å; Q20-A88 VanDerWaalsContact NE2-CB 3.33Å; Q20-A88 PolarHBondContact NE2-O 3.41Å; Q20-D89 PolarHBondContact NE2-O 3.45Å; Q20-S90 PolarHBondContact NE2-OG 2.88Å |
| 21 | K | 72.9 | Confident | 67.8 | Low | 78 Ų | 78 | 69.3 Ų | 69.3 | 34% | 0.339 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 177.5 | -71.5 | 175.7 | -178.3 | -175 | 0 | 110.8 | V17 F18 C23 L24 I25 A274 | V17-K21 HydrophobicContact CG1-CD 4.37Å; V17-K21 WeakPolarHBondContact O-CG 3.29Å; V17-K21 PolarHBondContact O-N 3.42Å; F18-K21 PolarHBondContact O-N 2.82Å; K21-C23 VanDerWaalsContact C-N 3.34Å; K21-C23 PolarHBondContact O-N 3.4Å; K21-L24 PolarHBondContact O-N 2.83Å; K21-I25 VanDerWaalsContact O-CG1 3.31Å; K21-I25 WeakPolarHBondContact O-CG1 3.32Å; K21-I25 PolarHBondContact O-N 3Å; K21-I25 VanDerWaalsContact O-N 3.11Å; K21-A274 HydrophobicContact CD-CB 3.86Å; K21-A274 WeakPolarHBondContact CE-O 3.48Å; K21-A274 HydrophobicContact CG-CB 4.09Å; K21-A274 PolarHBondContact NZ-O 3.07Å |
| 22 | Q | 82.3 | Confident | 69 | Low | 78 Ų | 78 | 70.5 Ų | 70.5 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 179.5 | -167.3 | 60 | 41.2 | 0 | 0 | 111.9 | F18 S19 Q20 L24 I25 D26 | F18-Q22 PolarHBondContact O-N 3.05Å; S19-Q22 PolarHBondContact O-N 3.03Å; Q20-Q22 VanDerWaalsContact C-N 3.31Å; Q20-Q22 PolarHBondContact O-N 2.93Å; Q22-L24 PolarHBondContact O-N 2.74Å; Q22-I25 PolarHBondContact O-N 2.71Å; Q22-D26 PolarHBondContact NE2-OD1 2.73Å; Q22-D26 WeakPolarHBondContact O-CB 3.47Å; Q22-D26 PolarHBondContact O-N 3.34Å |
| 23 | C | 85.5 | Confident | 69.3 | Low | 34 Ų | 34 | 69 Ų | 69 | 23% | 0.23 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 177.4 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | S19 Q20 K21 D26 C27 C87 | S19-C23 PolarHBondContact O-N 3.41Å; Q20-C23 PolarHBondContact O-N 3.34Å; K21-C23 VanDerWaalsContact C-N 3.34Å; K21-C23 PolarHBondContact O-N 3.4Å; C23-D26 PolarHBondContact O-N 3.1Å; C23-C27 PolarHBondContact O-N 3.11Å; C23-C27 PolarHBondContact O-SG 3.03Å; C23-C87 HydrophobicContact CB-CB 3.89Å; C23-C87 WeakPolarHBondContact CB-SG 3.26Å; C23-C87 WeakPolarHBondContact SG-CA 3.43Å; C23-C87 WeakPolarHBondContact SG-CB 3.4Å; C23-C87 CovalentContact SG-SG 2.05Å; C23-C87 PolarHBondContact SG-SG 2.69Å |
| 24 | L | 81.5 | Confident | 69.8 | Low | 18 Ų | 18 | 66.4 Ų | 66.4 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 180 | -64.7 | 176.3 | 0 | 0 | 0 | 111.9 | Q20 K21 Q22 C27 G28 L84 C87 P92 R93 L96 | Q20-L24 PolarHBondContact O-N 3.2Å; K21-L24 PolarHBondContact O-N 2.83Å; Q22-L24 PolarHBondContact O-N 2.74Å; L24-C27 PolarHBondContact O-N 3.48Å; L24-G28 PolarHBondContact O-N 3.09Å; L24-L84 HydrophobicContact CD2-CD2 3.7Å; L24-C87 HydrophobicContact CD2-CB 3.91Å; L24-C87 HydrophobicContact CG-CB 4.49Å; L24-P92 HydrophobicContact CD1-CB 3.59Å; L24-R93 HydrophobicContact CD2-CB 4.09Å; L24-R93 HydrophobicContact CD2-CG 4.32Å; L24-L96 HydrophobicContact CD2-CD1 4.07Å |
| 25 | I | 78 | Confident | 70.3 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.5 | -69 | 167.1 | 0 | 0 | 0 | 110.4 | K21 Q22 C27 G28 N29 | K21-I25 VanDerWaalsContact O-CG1 3.31Å; K21-I25 WeakPolarHBondContact O-CG1 3.32Å; K21-I25 PolarHBondContact O-N 3Å; K21-I25 VanDerWaalsContact O-N 3.11Å; Q22-I25 PolarHBondContact O-N 2.71Å; I25-C27 VanDerWaalsContact C-N 3.33Å; I25-C27 PolarHBondContact O-N 3.11Å; I25-G28 PolarHBondContact O-N 3.08Å; I25-G28 VanDerWaalsContact O-N 3.11Å; I25-N29 WeakPolarHBondContact CG2-ND2 3.48Å; I25-N29 WeakPolarHBondContact O-CB 3.36Å; I25-N29 VanDerWaalsContact O-CG 3.26Å; I25-N29 PolarHBondContact O-N 3.44Å; I25-N29 PolarHBondContact O-ND2 3.41Å |
| 26 | D | 81 | Confident | 70 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 179.2 | -70.5 | -15.1 | 0 | 0 | 0 | 111.7 | Q22 C23 N29 R30 | Q22-D26 PolarHBondContact NE2-OD1 2.73Å; Q22-D26 WeakPolarHBondContact O-CB 3.47Å; Q22-D26 PolarHBondContact O-N 3.34Å; C23-D26 PolarHBondContact O-N 3.1Å; D26-N29 PolarHBondContact O-N 3.34Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 2.86Å; D26-R30 PolarHBondContact O-N 2.86Å |
| 27 | C | 80.9 | Confident | 69.2 | Low | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 172.9 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | C23 L24 I25 N29 R30 L31 Y80 C83 L84 | C23-C27 PolarHBondContact O-N 3.11Å; C23-C27 PolarHBondContact O-SG 3.03Å; L24-C27 PolarHBondContact O-N 3.48Å; I25-C27 VanDerWaalsContact C-N 3.33Å; I25-C27 PolarHBondContact O-N 3.11Å; C27-N29 PolarHBondContact O-N 3.44Å; C27-R30 PolarHBondContact O-N 2.98Å; C27-L31 PolarHBondContact O-N 2.89Å; C27-Y80 VanDerWaalsContact C-CE2 3.48Å; C27-Y80 HydrophobicContact CB-CD2 3.95Å; C27-Y80 HydrophobicContact CB-CE2 3.69Å; C27-Y80 VanDerWaalsContact O-CD2 3.29Å; C27-Y80 WeakPolarHBondContact O-CD2 3.38Å; C27-Y80 WeakPolarHBondContact O-CE2 3.48Å; C27-C83 WeakPolarHBondContact CA-SG 2.96Å; C27-C83 HydrophobicContact CB-CB 3.79Å; C27-C83 WeakPolarHBondContact CB-SG 3.06Å; C27-C83 WeakPolarHBondContact SG-CB 3.48Å; C27-C83 PolarHBondContact SG-O 3.27Å; C27-C83 CovalentContact SG-SG 2.03Å; C27-C83 PolarHBondContact SG-SG 3Å; C27-L84 HydrophobicContact CB-CD2 4.17Å |
| 28 | G | 75.1 | Confident | 68.5 | Low | 4 Ų | 4 | 60.6 Ų | 60.6 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L24 I25 L31 S32 | L24-G28 PolarHBondContact O-N 3.09Å; I25-G28 PolarHBondContact O-N 3.08Å; I25-G28 VanDerWaalsContact O-N 3.11Å; G28-L31 PolarHBondContact O-N 3.33Å; G28-S32 WeakPolarHBondContact O-CB 3.31Å; G28-S32 PolarHBondContact O-N 3.34Å; G28-S32 PolarHBondContact O-OG 2.83Å |
| 29 | N | 74.5 | Confident | 67.1 | Low | 97 Ų | 97 | 58.8 Ų | 58.8 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.9 | -72.6 | -20.8 | 0 | 0 | 0 | 111.6 | I25 D26 C27 S32 A33 | I25-N29 WeakPolarHBondContact CG2-ND2 3.48Å; I25-N29 WeakPolarHBondContact O-CB 3.36Å; I25-N29 VanDerWaalsContact O-CG 3.26Å; I25-N29 PolarHBondContact O-N 3.44Å; I25-N29 PolarHBondContact O-ND2 3.41Å; D26-N29 PolarHBondContact O-N 3.34Å; C27-N29 PolarHBondContact O-N 3.44Å; N29-S32 PolarHBondContact O-N 3.28Å; N29-A33 WeakPolarHBondContact O-CB 3.49Å; N29-A33 PolarHBondContact O-N 3.32Å |
| 30 | R | 74.2 | Confident | 65.3 | Low | 178 Ų | 178 | 60.2 Ų | 60.2 | 67% | 0.672 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.1 | -46.6 | 175.2 | -73.7 | 173.8 | -172.5 | -128.2 | 1.9 | 111.8 | D26 C27 S32 A33 S34 | D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 2.86Å; D26-R30 PolarHBondContact O-N 2.86Å; C27-R30 PolarHBondContact O-N 2.98Å; R30-S32 VanDerWaalsContact C-N 3.32Å; R30-S32 PolarHBondContact O-N 3.46Å; R30-A33 PolarHBondContact O-N 3.49Å; R30-S34 VanDerWaalsContact O-CB 3.26Å; R30-S34 WeakPolarHBondContact O-CB 3.37Å; R30-S34 PolarHBondContact O-N 3.41Å; R30-S34 PolarHBondContact O-OG 2.99Å |
| 31 | L | 73.6 | Confident | 63.4 | Low | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 176.9 | -179.4 | 63.8 | 0 | 0 | 0 | 111.4 | C27 G28 S34 I35 H76 I77 Y80 | C27-L31 PolarHBondContact O-N 2.89Å; G28-L31 PolarHBondContact O-N 3.33Å; L31-S34 PolarHBondContact O-N 3.01Å; L31-I35 HydrophobicContact CD1-CD1 3.47Å; L31-I35 VanDerWaalsContact CD1-CD1 3.47Å; L31-I35 HydrophobicContact CD1-CG1 3.96Å; L31-I35 HydrophobicContact CG-CD1 3.86Å; L31-I35 HydrophobicContact CG-CG1 4.47Å; L31-I35 WeakPolarHBondContact O-CB 3.09Å; L31-I35 WeakPolarHBondContact O-CG1 3.2Å; L31-I35 PolarHBondContact O-N 3.22Å; L31-H76 HydrophobicContact CD1-CB 4.25Å; L31-I77 HydrophobicContact CD1-CD1 4.43Å; L31-Y80 HydrophobicContact CB-CD2 3.74Å; L31-Y80 HydrophobicContact CB-CE2 4.32Å; L31-Y80 HydrophobicContact CB-CG 4.05Å; L31-Y80 HydrophobicContact CD1-CG 4.35Å; L31-Y80 HydrophobicContact CD2-CD1 3.79Å; L31-Y80 HydrophobicContact CD2-CD2 4.04Å; L31-Y80 HydrophobicContact CD2-CE1 4.06Å; L31-Y80 HydrophobicContact CD2-CE2 4.31Å; L31-Y80 HydrophobicContact CD2-CG 3.76Å; L31-Y80 HydrophobicContact CG-CD2 4.41Å; L31-Y80 HydrophobicContact CG-CG 4.27Å |
| 32 | S | 66.6 | Low | 61.4 | Low | 59 Ų | 59 | 62.5 Ų | 62.5 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | -179.4 | -57.9 | 0 | 0 | 0 | 0 | 112 | G28 N29 R30 G36 | G28-S32 WeakPolarHBondContact O-CB 3.31Å; G28-S32 PolarHBondContact O-N 3.34Å; G28-S32 PolarHBondContact O-OG 2.83Å; N29-S32 PolarHBondContact O-N 3.28Å; R30-S32 VanDerWaalsContact C-N 3.32Å; R30-S32 PolarHBondContact O-N 3.46Å; S32-G36 PolarHBondContact O-N 2.05Å |
| 33 | A | 63.1 | Low | 59.1 | Low | 52 Ų | 52 | 66.6 Ų | 66.6 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N29 R30 N37 | N29-A33 WeakPolarHBondContact O-CB 3.49Å; N29-A33 PolarHBondContact O-N 3.32Å; R30-A33 PolarHBondContact O-N 3.49Å; A33-N37 VanDerWaalsContact O-CB 3.29Å; A33-N37 WeakPolarHBondContact O-CB 3.12Å; A33-N37 VanDerWaalsContact O-CG 3.29Å; A33-N37 PolarHBondContact O-N 3.07Å; A33-N37 VanDerWaalsContact O-N 3.11Å |
| 34 | S | 64.1 | Low | 56.7 | Low | 38 Ų | 38 | 68.5 Ų | 68.5 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 179.2 | -86.1 | 0 | 0 | 0 | 0 | 114 | R30 L31 H76 | R30-S34 VanDerWaalsContact O-CB 3.26Å; R30-S34 WeakPolarHBondContact O-CB 3.37Å; R30-S34 PolarHBondContact O-N 3.41Å; R30-S34 PolarHBondContact O-OG 2.99Å; L31-S34 PolarHBondContact O-N 3.01Å; S34-H76 VanDerWaalsContact CB-CE1 3.5Å; S34-H76 WeakPolarHBondContact CB-CE1 3.31Å; S34-H76 WeakPolarHBondContact CB-ND1 3.44Å; S34-H76 PolarHBondContact OG-CE1 3.11Å; S34-H76 VanDerWaalsContact OG-CE1 3.31Å; S34-H76 PolarHBondContact OG-ND1 3.36Å |
| 35 | I | 59.1 | Low | 54.5 | Low | 35 Ų | 35 | 69.4 Ų | 69.4 | 18% | 0.179 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -75.5 | -33.4 | 179.6 | -67.5 | 179.4 | 0 | 0 | 0 | 110.7 | L31 H76 | L31-I35 HydrophobicContact CD1-CD1 3.47Å; L31-I35 VanDerWaalsContact CD1-CD1 3.47Å; L31-I35 HydrophobicContact CD1-CG1 3.96Å; L31-I35 HydrophobicContact CG-CD1 3.86Å; L31-I35 HydrophobicContact CG-CG1 4.47Å; L31-I35 WeakPolarHBondContact O-CB 3.09Å; L31-I35 WeakPolarHBondContact O-CG1 3.2Å; L31-I35 PolarHBondContact O-N 3.22Å; I35-H76 HydrophobicContact CG1-CB 4.47Å |
| 36 | G | 49.5 | Very low | 52.3 | Low | 15 Ų | 15 | 75.8 Ų | 75.8 | 16% | 0.155 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -78 | -18.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S32 | S32-G36 PolarHBondContact O-N 2.05Å |
| 37 | N | 40.2 | Very low | 50.6 | Low | 128 Ų | 128 | 74.7 Ų | 74.7 | 68% | 0.684 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 4.8 | 179.2 | -81.7 | -5.3 | 0 | 0 | 0 | 114.2 | A33 S39 | A33-N37 VanDerWaalsContact O-CB 3.29Å; A33-N37 WeakPolarHBondContact O-CB 3.12Å; A33-N37 VanDerWaalsContact O-CG 3.29Å; A33-N37 PolarHBondContact O-N 3.07Å; A33-N37 VanDerWaalsContact O-N 3.11Å; N37-S39 PolarHBondContact O-N 3.06Å; N37-S39 VanDerWaalsContact O-N 3.08Å |
| 38 | G | 38.9 | Very low | 48.4 | Very low | 29 Ų | 29 | 75.3 Ų | 75.3 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -64.6 | 109.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y40 | G38-Y40 PolarHBondContact O-N 3.27Š|
| 39 | S | 28.9 | Very low | 46.8 | Very low | 105 Ų | 105 | 75.5 Ų | 75.5 | 73% | 0.734 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -29.6 | 82 | -178.1 | -66.5 | 0 | 0 | 0 | 0 | 116.5 | N37 | N37-S39 PolarHBondContact O-N 3.06Å; N37-S39 VanDerWaalsContact O-N 3.08Å |
| 40 | Y | 32.7 | Very low | 45.8 | Very low | 108 Ų | 108 | 71.3 Ų | 71.3 | 42% | 0.424 | 40% | 0.402 | S | S | . | . | trans | -147 | 142.6 | 163.2 | -70.7 | -79.2 | 0 | 0 | 0 | 109 | G38 D45 Q62 | G38-Y40 PolarHBondContact O-N 3.27Å; Y40-D45 WeakPolarHBondContact CB-OD2 3.07Å; Y40-Q62 VanDerWaalsContact CZ-OE1 3.22Å; Y40-Q62 PolarHBondContact OH-OE1 3.11Å | ||
| 41 | G | 28 | Very low | 44.8 | Very low | 44 Ų | 44 | 62.9 Ų | 62.9 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | trans | -51.6 | 161.8 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N43 S44 | G41-N43 PolarHBondContact O-N 2.88Å; G41-S44 PolarHBondContact O-N 2.92Å | ||
| 42 | P | 32.6 | Very low | 44 | Very low | 127 Ų | 127 | 62.3 Ų | 62.3 | 83% | 0.825 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -7 | -166.1 | 20.1 | -32.2 | 0 | 0 | 0 | 116.3 | ||
| 43 | N | 33.6 | Very low | 43.6 | Very low | 164 Ų | 164 | 59.7 Ų | 59.7 | 88% | 0.877 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | -6.5 | -174.1 | -71 | -22.1 | 0 | 0 | 0 | 116.3 | G41 | G41-N43 PolarHBondContact O-N 2.88Š|
| 44 | S | 34.4 | Very low | 43.6 | Very low | 75 Ų | 75 | 58.9 Ų | 58.9 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -29.1 | -176.1 | 53 | 0 | 0 | 0 | 0 | 116.2 | G41 | G41-S44 PolarHBondContact O-N 2.92Š|
| 45 | D | 35.3 | Very low | 43.5 | Very low | 37 Ų | 37 | 57.1 Ų | 57.1 | 20% | 0.198 | 32% | 0.323 | C | S | . | . | trans | -121.7 | 8.7 | -152 | -81.2 | -63.3 | 0 | 0 | 0 | 119.4 | Y40 Q47 | Y40-D45 WeakPolarHBondContact CB-OD2 3.07Å; D45-Q47 PolarHBondContact O-N 3.14Å | ||
| 46 | R | 32.7 | Very low | 43.4 | Very low | 211 Ų | 211 | 55.5 Ų | 55.5 | 80% | 0.796 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 2.5 | 178.3 | -73.1 | -171.9 | 177.2 | -174.5 | 0.5 | 115.6 | ||
| 47 | Q | 45.1 | Very low | 44.1 | Very low | 44 Ų | 44 | 55 Ų | 55 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | 18.8 | -163.6 | -59.8 | 175.1 | 21.9 | 0 | 0 | 114.2 | D45 R58 V258 F259 | D45-Q47 PolarHBondContact O-N 3.14Å; Q47-R58 PolarHBondContact O-NH1 2.93Å; Q47-V258 PolarHBondContact OE1-O 3.4Å; Q47-F259 HydrophobicContact CG-CD1 4.28Å; Q47-F259 VanDerWaalsContact NE2-CZ 3.28Å |
| 48 | A | 33.5 | Very low | 45.2 | Very low | 14 Ų | 14 | 53 Ų | 53 | 12% | 0.116 | 29% | 0.291 | C | S | . | . | trans | -100.2 | 79.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K73 | A48-K73 PolarHBondContact O-NZ 3Š| ||
| 49 | S | 42.3 | Very low | 45.9 | Very low | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | trans | 178.5 | 99.7 | 158.5 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | W103 N260 | S49-W103 WeakPolarHBondContact OG-CZ2 3.5Å; S49-N260 PolarHBondContact O-OD1 3.33Å; S49-N260 VanDerWaalsContact O-OD1 3.14Å | ||
| 50 | L | 54.3 | Low | 47.3 | Very low | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -134.2 | -66.3 | -173.5 | -72.3 | 172.8 | 0 | 0 | 0 | 117.3 | F259 N260 H261 L262 | L50-F259 WeakPolarHBondContact CD1-O 3.41Å; L50-N260 HydrophobicContact CD1-CB 4.47Å; L50-N260 HydrophobicContact CD2-CB 3.73Å; L50-N260 WeakPolarHBondContact CD2-O 3.29Å; L50-N260 WeakPolarHBondContact CD2-OD1 3.44Å; L50-N260 HydrophobicContact CG-CB 4.21Å; L50-N260 WeakPolarHBondContact CG-OD1 3.48Å; L50-H261 HydrophobicContact CD1-CB 4.37Å; L50-L262 VanDerWaalsContact O-CB 3.23Å; L50-L262 WeakPolarHBondContact O-CB 3.36Å |
| 51 | T | 52.6 | Low | 48.4 | Very low | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -85.8 | 136.3 | 153.2 | 49.1 | 0 | 0 | 0 | 0 | 105.1 | I53 R54 S55 M140 F168 L262 | T51-I53 PolarHBondContact O-N 3.01Å; T51-I53 VanDerWaalsContact O-N 3.14Å; T51-R54 PolarHBondContact O-N 3.34Å; T51-R54 WeakPolarHBondContact OG1-CB 3.4Å; T51-R54 PolarHBondContact OG1-N 3.32Å; T51-S55 PolarHBondContact O-N 3.49Å; T51-M140 HydrophobicContact CG2-CE 3.45Å; T51-M140 VanDerWaalsContact CG2-CE 3.45Å; T51-M140 HydrophobicContact CG2-SD 4.19Å; T51-F168 HydrophobicContact CG2-CE1 4.39Å; T51-L262 HydrophobicContact CG2-CD1 3.27Å |
| 52 | P | 56.5 | Low | 50 | Low | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.5 | -32.8 | 168.7 | -11.5 | 13.3 | 0 | 0 | 0 | 111.1 | S55 I56 P102 W103 I106 L190 | P52-S55 PolarHBondContact O-N 3.27Å; P52-I56 VanDerWaalsContact O-CB 3.28Å; P52-I56 WeakPolarHBondContact O-CB 3.48Å; P52-I56 WeakPolarHBondContact O-CG1 3.26Å; P52-I56 PolarHBondContact O-N 3.43Å; P52-P102 HydrophobicContact CB-CB 4.44Å; P52-P102 HydrophobicContact CG-CB 3.3Å; P52-P102 HydrophobicContact CG-CG 4.4Å; P52-W103 HydrophobicContact CB-CD2 4.29Å; P52-W103 HydrophobicContact CB-CZ2 4.44Å; P52-W103 HydrophobicContact CG-CG 4.41Å; P52-I106 HydrophobicContact CB-CD1 3.13Å; P52-I106 HydrophobicContact CG-CD1 4.2Å; P52-L190 HydrophobicContact CB-CD1 4.31Å; P52-L190 HydrophobicContact CG-CD1 4.37Å |
| 53 | I | 58.4 | Low | 51 | Low | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -52.8 | 170.1 | -64 | 173.8 | 0 | 0 | 0 | 111.9 | T51 S55 I56 L57 F168 E169 F172 L190 | T51-I53 PolarHBondContact O-N 3.01Å; T51-I53 VanDerWaalsContact O-N 3.14Å; I53-S55 VanDerWaalsContact C-N 3.28Å; I53-S55 PolarHBondContact O-N 3.13Å; I53-I56 PolarHBondContact O-N 3.4Å; I53-L57 HydrophobicContact CG2-CD1 3.98Å; I53-L57 HydrophobicContact CG2-CG 4.41Å; I53-L57 WeakPolarHBondContact O-CB 3.37Å; I53-L57 VanDerWaalsContact O-CG 3.29Å; I53-L57 WeakPolarHBondContact O-CG 2.94Å; I53-L57 PolarHBondContact O-N 3.17Å; I53-F168 HydrophobicContact CB-CE1 4.1Å; I53-F168 HydrophobicContact CB-CZ 4.34Å; I53-F168 HydrophobicContact CD1-CE1 4.34Å; I53-F168 HydrophobicContact CG2-CE1 3.88Å; I53-F168 HydrophobicContact CG2-CZ 3.69Å; I53-E169 HydrophobicContact CD1-CG 4.27Å; I53-F172 HydrophobicContact CD1-CD1 3.98Å; I53-F172 HydrophobicContact CG1-CD1 4.36Å; I53-F172 HydrophobicContact CG1-CE1 4.44Å; I53-F172 HydrophobicContact CG2-CD1 3.49Å; I53-F172 VanDerWaalsContact CG2-CD1 3.49Å; I53-F172 HydrophobicContact CG2-CD2 3.71Å; I53-F172 HydrophobicContact CG2-CE1 3.49Å; I53-F172 VanDerWaalsContact CG2-CE1 3.49Å; I53-F172 HydrophobicContact CG2-CE2 3.72Å; I53-F172 HydrophobicContact CG2-CG 3.6Å; I53-F172 HydrophobicContact CG2-CZ 3.6Å; I53-L190 HydrophobicContact CD1-CD2 4.49Å; I53-L190 HydrophobicContact CG1-CD2 3.67Å; I53-L190 HydrophobicContact CG1-CG 4.26Å |
| 54 | R | 64 | Low | 52.1 | Low | 35 Ų | 35 | 42 Ų | 42 | 13% | 0.132 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 177 | -174.7 | -179.2 | -158.6 | 151.2 | 7.8 | 111.7 | T51 L57 R58 L137 D138 S141 | T51-R54 PolarHBondContact O-N 3.34Å; T51-R54 WeakPolarHBondContact OG1-CB 3.4Å; T51-R54 PolarHBondContact OG1-N 3.32Å; R54-L57 PolarHBondContact O-N 2.62Å; R54-R58 PolarHBondContact O-N 2.83Å; R54-L137 HydrophobicContact CB-CD1 4.41Å; R54-L137 HydrophobicContact CB-CD2 4.26Å; R54-L137 HydrophobicContact CG-CD2 3.89Å; R54-D138 IonicContact NH2-OD1 2.74Å; R54-S141 PolarHBondContact NH1-OG 2.82Å |
| 55 | S | 60.6 | Low | 53.9 | Low | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -45.5 | 176 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | T51 P52 I53 L57 R58 T59 K73 W103 | T51-S55 PolarHBondContact O-N 3.49Å; P52-S55 PolarHBondContact O-N 3.27Å; I53-S55 VanDerWaalsContact C-N 3.28Å; I53-S55 PolarHBondContact O-N 3.13Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 2.7Å; S55-R58 PolarHBondContact O-N 3.38Å; S55-T59 PolarHBondContact O-N 3.08Å; S55-T59 PolarHBondContact O-OG1 3.16Å; S55-K73 PolarHBondContact OG-NZ 3.33Å; S55-W103 VanDerWaalsContact CB-CH2 3.47Å; S55-W103 WeakPolarHBondContact OG-CH2 3.2Å |
| 56 | I | 58.5 | Low | 55.6 | Low | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 174.6 | -75.4 | 167.1 | 0 | 0 | 0 | 109.1 | P52 I53 R58 T59 I60 L70 I106 L115 F187 L190 | P52-I56 VanDerWaalsContact O-CB 3.28Å; P52-I56 WeakPolarHBondContact O-CB 3.48Å; P52-I56 WeakPolarHBondContact O-CG1 3.26Å; P52-I56 PolarHBondContact O-N 3.43Å; I53-I56 PolarHBondContact O-N 3.4Å; I56-R58 PolarHBondContact O-N 2.93Å; I56-T59 PolarHBondContact O-N 3.29Å; I56-I60 HydrophobicContact CG2-CD1 3.31Å; I56-I60 HydrophobicContact CG2-CG1 4.11Å; I56-I60 VanDerWaalsContact O-CB 3.24Å; I56-I60 WeakPolarHBondContact O-CB 3.44Å; I56-I60 WeakPolarHBondContact O-CG1 3.45Å; I56-I60 PolarHBondContact O-N 2.75Å; I56-L70 HydrophobicContact CG1-CD2 4.25Å; I56-I106 HydrophobicContact CD1-CD1 3.5Å; I56-I106 VanDerWaalsContact CD1-CD1 3.5Å; I56-I106 HydrophobicContact CD1-CG1 3.98Å; I56-I106 HydrophobicContact CG1-CD1 4.36Å; I56-L115 HydrophobicContact CD1-CD1 4.35Å; I56-F187 HydrophobicContact CD1-CE1 4.26Å; I56-F187 HydrophobicContact CG2-CE1 4.32Å; I56-F187 HydrophobicContact CG2-CZ 4.17Å; I56-L190 HydrophobicContact CD1-CD2 4.02Å |
| 57 | L | 63.1 | Low | 57.6 | Low | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.9 | -48.7 | 178.2 | -73.8 | 168.3 | 0 | 0 | 0 | 112.2 | I53 R54 S55 T59 I60 V61 M129 T130 F172 | I53-L57 HydrophobicContact CG2-CD1 3.98Å; I53-L57 HydrophobicContact CG2-CG 4.41Å; I53-L57 WeakPolarHBondContact O-CB 3.37Å; I53-L57 VanDerWaalsContact O-CG 3.29Å; I53-L57 WeakPolarHBondContact O-CG 2.94Å; I53-L57 PolarHBondContact O-N 3.17Å; R54-L57 PolarHBondContact O-N 2.62Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 2.7Å; L57-T59 PolarHBondContact O-N 3.3Å; L57-I60 PolarHBondContact O-N 2.96Å; L57-V61 VanDerWaalsContact O-CG2 3.29Å; L57-V61 WeakPolarHBondContact O-CG2 3.1Å; L57-V61 PolarHBondContact O-N 3.46Å; L57-M129 HydrophobicContact CD2-CB 3.97Å; L57-T130 HydrophobicContact CD1-CG2 4.41Å; L57-F172 HydrophobicContact CD1-CD2 3.98Å; L57-F172 HydrophobicContact CD1-CE2 3.46Å; L57-F172 VanDerWaalsContact CD1-CE2 3.46Å; L57-F172 HydrophobicContact CD1-CZ 4.23Å; L57-F172 HydrophobicContact CD2-CE2 3.42Å; L57-F172 VanDerWaalsContact CD2-CE2 3.42Å; L57-F172 HydrophobicContact CD2-CZ 3.81Å; L57-F172 HydrophobicContact CG-CE2 3.68Å; L57-F172 HydrophobicContact CG-CZ 4.04Å |
| 58 | R | 62.6 | Low | 59.3 | Low | 87 Ų | 87 | 35.1 Ų | 35.1 | 33% | 0.328 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.7 | -79.5 | -168.8 | -178.7 | 156.3 | 3.5 | 112.4 | Q47 R54 S55 I56 I60 V61 | Q47-R58 PolarHBondContact O-NH1 2.93Å; R54-R58 PolarHBondContact O-N 2.83Å; S55-R58 PolarHBondContact O-N 3.38Å; I56-R58 PolarHBondContact O-N 2.93Å; R58-I60 PolarHBondContact O-N 2.83Å; R58-V61 PolarHBondContact O-N 2.91Å |
| 59 | T | 54.8 | Low | 61.4 | Low | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -29.9 | 178.2 | -42.9 | 0 | 0 | 0 | 0 | 111.6 | S55 I56 L57 T66 Q69 L70 | S55-T59 PolarHBondContact O-N 3.08Å; S55-T59 PolarHBondContact O-OG1 3.16Å; I56-T59 PolarHBondContact O-N 3.29Å; L57-T59 PolarHBondContact O-N 3.3Å; T59-T66 HydrophobicContact CG2-CG2 3.65Å; T59-T66 WeakPolarHBondContact O-CG2 2.88Å; T59-T66 PolarHBondContact O-OG1 2.95Å; T59-Q69 HydrophobicContact CG2-CB 3.44Å; T59-Q69 VanDerWaalsContact CG2-CB 3.44Å; T59-Q69 HydrophobicContact CG2-CG 4.25Å; T59-L70 HydrophobicContact CG2-CG 4.45Å |
| 60 | I | 57.8 | Low | 63.2 | Low | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -81 | -32.8 | -177.9 | -75.4 | -179.7 | 0 | 0 | 0 | 112.3 | I56 L57 R58 Q62 T66 L119 L122 T123 | I56-I60 HydrophobicContact CG2-CD1 3.31Å; I56-I60 HydrophobicContact CG2-CG1 4.11Å; I56-I60 VanDerWaalsContact O-CB 3.24Å; I56-I60 WeakPolarHBondContact O-CB 3.44Å; I56-I60 WeakPolarHBondContact O-CG1 3.45Å; I56-I60 PolarHBondContact O-N 2.75Å; L57-I60 PolarHBondContact O-N 2.96Å; R58-I60 PolarHBondContact O-N 2.83Å; I60-Q62 PolarHBondContact O-N 3.02Å; I60-T66 HydrophobicContact CG1-CG2 3.81Å; I60-L119 HydrophobicContact CD1-CD2 3.91Å; I60-L119 HydrophobicContact CG1-CD2 3.74Å; I60-L122 HydrophobicContact CD1-CB 3.63Å; I60-L122 HydrophobicContact CD1-CD1 3.75Å; I60-L122 HydrophobicContact CD1-CG 4.31Å; I60-L122 HydrophobicContact CG2-CB 3.98Å; I60-L122 VanDerWaalsContact CG2-O 3.3Å; I60-L122 WeakPolarHBondContact CG2-O 3.49Å; I60-T123 VanDerWaalsContact CG2-N 3.27Å; I60-T123 WeakPolarHBondContact CG2-OG1 3.31Å; I60-T123 PolarHBondContact O-OG1 3.21Å |
| 61 | V | 56.9 | Low | 64.6 | Low | 79 Ų | 79 | 39.7 Ų | 39.7 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.9 | -25.4 | 173.9 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | L57 R58 P63 | L57-V61 VanDerWaalsContact O-CG2 3.29Å; L57-V61 WeakPolarHBondContact O-CG2 3.1Å; L57-V61 PolarHBondContact O-N 3.46Å; R58-V61 PolarHBondContact O-N 2.91Å; V61-P63 WeakPolarHBondContact O-CD 3.19Å |
| 62 | Q | 60.8 | Low | 66 | Low | 68 Ų | 68 | 44 Ų | 44 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -104 | 89.6 | 174.7 | -67.6 | -176.7 | -10.5 | 0 | 0 | 110.1 | Y40 I60 V64 T66 | Y40-Q62 VanDerWaalsContact CZ-OE1 3.22Å; Y40-Q62 PolarHBondContact OH-OE1 3.11Å; I60-Q62 PolarHBondContact O-N 3.02Å; Q62-V64 PolarHBondContact O-N 2.97Å; Q62-T66 PolarHBondContact O-OG1 3.21Å |
| 63 | P | 52.5 | Low | 67.2 | Low | 88 Ų | 88 | 44.9 Ų | 44.9 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | trans | -67.9 | -7.4 | -167.6 | 26.1 | -35.8 | 0 | 0 | 0 | 115 | V61 D65 T123 | V61-P63 WeakPolarHBondContact O-CD 3.19Å; P63-D65 PolarHBondContact O-N 2.9Å; P63-T123 HydrophobicContact CB-CG2 3.95Å | ||
| 64 | V | 57.8 | Low | 68.6 | Low | 104 Ų | 104 | 44.8 Ų | 44.8 | 63% | 0.63 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 98.7 | 178.9 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | Q62 Q69 | Q62-V64 PolarHBondContact O-N 2.97Å; V64-Q69 PolarHBondContact O-NE2 3.23Å |
| 65 | D | 72.4 | Confident | 69.8 | Low | 98 Ų | 98 | 47.1 Ų | 47.1 | 52% | 0.524 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 46.1 | 170.7 | -156.3 | -1.6 | 0 | 0 | 0 | 115 | P63 Y67 A68 Q69 | P63-D65 PolarHBondContact O-N 2.9Å; D65-Y67 PolarHBondContact O-N 3.33Å; D65-Y67 VanDerWaalsContact O-N 3.12Å; D65-A68 HydrophobicContact CB-CB 4.44Å; D65-A68 PolarHBondContact O-N 3.41Å; D65-A68 WeakPolarHBondContact OD1-CB 2.93Å; D65-A68 PolarHBondContact OD1-N 3.4Å; D65-A68 WeakPolarHBondContact OD2-CB 3.39Å; D65-Q69 WeakPolarHBondContact O-CG 3.09Å; D65-Q69 PolarHBondContact O-N 3.45Å |
| 66 | T | 69.7 | Low | 71 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.6 | -34.8 | 175.2 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | T59 I60 Q62 L70 L119 | T59-T66 HydrophobicContact CG2-CG2 3.65Å; T59-T66 WeakPolarHBondContact O-CG2 2.88Å; T59-T66 PolarHBondContact O-OG1 2.95Å; I60-T66 HydrophobicContact CG1-CG2 3.81Å; Q62-T66 PolarHBondContact O-OG1 3.21Å; T66-L70 HydrophobicContact CG2-CD1 4.3Å; T66-L70 WeakPolarHBondContact O-CG 3.13Å; T66-L70 PolarHBondContact O-N 2.03Å; T66-L119 HydrophobicContact CG2-CD1 4.1Å; T66-L119 HydrophobicContact CG2-CD2 3.48Å; T66-L119 VanDerWaalsContact CG2-CD2 3.48Å; T66-L119 HydrophobicContact CG2-CG 4.45Å |
| 67 | Y | 75.8 | Confident | 72.2 | Confident | 85 Ų | 85 | 48.6 Ų | 48.6 | 33% | 0.333 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.8 | -56.5 | 176.6 | -178.7 | -85.9 | 0 | 0 | 0 | 111.8 | D65 Q69 L70 E71 I112 | D65-Y67 PolarHBondContact O-N 3.33Å; D65-Y67 VanDerWaalsContact O-N 3.12Å; Y67-Q69 PolarHBondContact O-N 2.91Å; Y67-L70 WeakPolarHBondContact O-CB 3.16Å; Y67-L70 PolarHBondContact O-N 3.49Å; Y67-L70 VanDerWaalsContact O-N 3.07Å; Y67-E71 HydrophobicContact CD1-CG 4.27Å; Y67-E71 HydrophobicContact CE1-CG 3.74Å; Y67-E71 VanDerWaalsContact CE1-OE1 3.24Å; Y67-E71 WeakPolarHBondContact CE1-OE1 3.5Å; Y67-E71 WeakPolarHBondContact CE1-OE2 3.19Å; Y67-E71 VanDerWaalsContact CZ-OE1 3.29Å; Y67-E71 PolarHBondContact O-N 3.03Å; Y67-E71 PolarHBondContact OH-OE1 3.23Å; Y67-I112 HydrophobicContact CD2-CG2 3.82Å; Y67-I112 HydrophobicContact CE2-CG2 3.33Å |
| 68 | A | 79.8 | Confident | 73.5 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 28% | 0.281 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.4 | -31.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D65 L70 E71 H72 | D65-A68 HydrophobicContact CB-CB 4.44Å; D65-A68 PolarHBondContact O-N 3.41Å; D65-A68 WeakPolarHBondContact OD1-CB 2.93Å; D65-A68 PolarHBondContact OD1-N 3.4Å; D65-A68 WeakPolarHBondContact OD2-CB 3.39Å; A68-L70 VanDerWaalsContact C-N 3.34Å; A68-E71 PolarHBondContact O-N 3.06Å; A68-H72 VanDerWaalsContact O-CB 3.23Å; A68-H72 WeakPolarHBondContact O-CB 3.43Å; A68-H72 PolarHBondContact O-N 2.84Å |
| 69 | Q | 78 | Confident | 74.7 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 173.1 | -71.6 | -173.1 | 55 | 0 | 0 | 112.2 | T59 V64 D65 Y67 K73 | T59-Q69 HydrophobicContact CG2-CB 3.44Å; T59-Q69 VanDerWaalsContact CG2-CB 3.44Å; T59-Q69 HydrophobicContact CG2-CG 4.25Å; V64-Q69 PolarHBondContact O-NE2 3.23Å; D65-Q69 WeakPolarHBondContact O-CG 3.09Å; D65-Q69 PolarHBondContact O-N 3.45Å; Y67-Q69 PolarHBondContact O-N 2.91Å; Q69-K73 VanDerWaalsContact O-CG 3.3Å; Q69-K73 WeakPolarHBondContact O-CG 3.5Å; Q69-K73 PolarHBondContact O-N 3.02Å |
| 70 | L | 79.5 | Confident | 76.2 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 174 | -76.8 | 170.8 | 0 | 0 | 0 | 111.4 | I56 T59 T66 Y67 A68 H72 K73 C74 L115 | I56-L70 HydrophobicContact CG1-CD2 4.25Å; T59-L70 HydrophobicContact CG2-CG 4.45Å; T66-L70 HydrophobicContact CG2-CD1 4.3Å; T66-L70 WeakPolarHBondContact O-CG 3.13Å; T66-L70 PolarHBondContact O-N 2.03Å; Y67-L70 WeakPolarHBondContact O-CB 3.16Å; Y67-L70 PolarHBondContact O-N 3.49Å; Y67-L70 VanDerWaalsContact O-N 3.07Å; A68-L70 VanDerWaalsContact C-N 3.34Å; L70-H72 VanDerWaalsContact C-N 3.34Å; L70-H72 PolarHBondContact O-N 3.08Å; L70-K73 PolarHBondContact O-N 2.93Å; L70-C74 WeakPolarHBondContact O-CB 3.44Å; L70-C74 PolarHBondContact O-N 3.09Å; L70-C74 PolarHBondContact O-SG 2.88Å; L70-L115 HydrophobicContact CD1-CD1 4.18Å |
| 71 | E | 84.1 | Confident | 77.7 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.9 | -74.9 | -165.3 | 145.7 | 0 | 0 | 112 | Y67 A68 K73 C74 V75 I112 | Y67-E71 HydrophobicContact CD1-CG 4.27Å; Y67-E71 HydrophobicContact CE1-CG 3.74Å; Y67-E71 VanDerWaalsContact CE1-OE1 3.24Å; Y67-E71 WeakPolarHBondContact CE1-OE1 3.5Å; Y67-E71 WeakPolarHBondContact CE1-OE2 3.19Å; Y67-E71 VanDerWaalsContact CZ-OE1 3.29Å; Y67-E71 PolarHBondContact O-N 3.03Å; Y67-E71 PolarHBondContact OH-OE1 3.23Å; A68-E71 PolarHBondContact O-N 3.06Å; E71-K73 PolarHBondContact O-N 3.34Å; E71-C74 WeakPolarHBondContact O-CA 3.42Å; E71-C74 WeakPolarHBondContact O-CB 3.45Å; E71-C74 PolarHBondContact O-N 3.4Å; E71-V75 PolarHBondContact O-N 3.11Å; E71-I112 HydrophobicContact CG-CD1 4.32Å; E71-I112 HydrophobicContact CG-CG2 4.48Å |
| 72 | H | 83.3 | Confident | 79.3 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.7 | -179.6 | -106.6 | 0 | 0 | 0 | 111.5 | A68 L70 C74 V75 H76 | A68-H72 VanDerWaalsContact O-CB 3.23Å; A68-H72 WeakPolarHBondContact O-CB 3.43Å; A68-H72 PolarHBondContact O-N 2.84Å; L70-H72 VanDerWaalsContact C-N 3.34Å; L70-H72 PolarHBondContact O-N 3.08Å; H72-C74 VanDerWaalsContact C-N 3.27Å; H72-C74 PolarHBondContact O-N 2.92Å; H72-V75 PolarHBondContact O-N 2.75Å; H72-H76 AromaticContact CD2-NE2 3.63Å; H72-H76 AromaticContact CE1-CD2 3.56Å; H72-H76 AromaticContact CE1-NE2 3.05Å; H72-H76 PolarHBondContact CE1-NE2 3.27Å; H72-H76 AromaticContact ND1-CD2 3.78Å; H72-H76 AromaticContact ND1-NE2 3.71Å; H72-H76 AromaticContact NE2-CD2 3.79Å; H72-H76 AromaticContact NE2-CE1 3.96Å; H72-H76 AromaticContact NE2-NE2 2.95Å; H72-H76 PolarHBondContact NE2-NE2 3.31Å; H72-H76 PolarHBondContact O-CD2 2.8Å; H72-H76 PolarHBondContact O-N 3.01Å |
| 73 | K | 81.2 | Confident | 80.7 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 172.7 | -74.2 | 170.6 | -173.9 | -80.9 | 0 | 111.1 | A48 S55 Q69 L70 E71 V75 H76 I77 W103 | A48-K73 PolarHBondContact O-NZ 3Å; S55-K73 PolarHBondContact OG-NZ 3.33Å; Q69-K73 VanDerWaalsContact O-CG 3.3Å; Q69-K73 WeakPolarHBondContact O-CG 3.5Å; Q69-K73 PolarHBondContact O-N 3.02Å; L70-K73 PolarHBondContact O-N 2.93Å; E71-K73 PolarHBondContact O-N 3.34Å; K73-V75 PolarHBondContact O-N 3.02Å; K73-H76 PolarHBondContact O-N 3.42Å; K73-I77 WeakPolarHBondContact O-CG1 3.41Å; K73-I77 PolarHBondContact O-N 3.05Å; K73-W103 HydrophobicContact CB-CZ3 4.25Å; K73-W103 HydrophobicContact CD-CH2 4.03Å; K73-W103 HydrophobicContact CD-CZ3 4.45Å |
| 74 | C | 87.5 | Confident | 82.2 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 179.1 | -73.3 | 0 | 0 | 0 | 0 | 113.9 | L70 E71 H72 H76 I77 R78 C107 | L70-C74 WeakPolarHBondContact O-CB 3.44Å; L70-C74 PolarHBondContact O-N 3.09Å; L70-C74 PolarHBondContact O-SG 2.88Å; E71-C74 WeakPolarHBondContact O-CA 3.42Å; E71-C74 WeakPolarHBondContact O-CB 3.45Å; E71-C74 PolarHBondContact O-N 3.4Å; H72-C74 VanDerWaalsContact C-N 3.27Å; H72-C74 PolarHBondContact O-N 2.92Å; C74-H76 VanDerWaalsContact C-N 3.3Å; C74-H76 PolarHBondContact O-N 3.01Å; C74-I77 PolarHBondContact O-N 2.91Å; C74-R78 WeakPolarHBondContact O-CB 3.42Å; C74-R78 VanDerWaalsContact O-CG 3.3Å; C74-R78 WeakPolarHBondContact O-CG 3.45Å; C74-R78 PolarHBondContact O-N 3.46Å; C74-C107 WeakPolarHBondContact CA-SG 3.02Å; C74-C107 HydrophobicContact CB-CB 3.62Å; C74-C107 WeakPolarHBondContact CB-SG 2.98Å; C74-C107 WeakPolarHBondContact SG-CA 3.45Å; C74-C107 WeakPolarHBondContact SG-CB 3.23Å; C74-C107 CovalentContact SG-SG 2.04Å; C74-C107 PolarHBondContact SG-SG 3.44Å |
| 75 | V | 88.6 | Confident | 83.8 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 170.8 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | E71 H72 K73 R78 S79 | E71-V75 PolarHBondContact O-N 3.11Å; H72-V75 PolarHBondContact O-N 2.75Å; K73-V75 PolarHBondContact O-N 3.02Å; V75-R78 PolarHBondContact O-N 3.32Å; V75-S79 WeakPolarHBondContact O-CB 3.49Å; V75-S79 PolarHBondContact O-N 3.22Å |
| 76 | H | 85.5 | Confident | 84.7 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.2 | -39.5 | -179.7 | -66.8 | -54.8 | 0 | 0 | 0 | 113.3 | L31 S34 I35 H72 K73 C74 S79 Y80 | L31-H76 HydrophobicContact CD1-CB 4.25Å; S34-H76 VanDerWaalsContact CB-CE1 3.5Å; S34-H76 WeakPolarHBondContact CB-CE1 3.31Å; S34-H76 WeakPolarHBondContact CB-ND1 3.44Å; S34-H76 PolarHBondContact OG-CE1 3.11Å; S34-H76 VanDerWaalsContact OG-CE1 3.31Å; S34-H76 PolarHBondContact OG-ND1 3.36Å; I35-H76 HydrophobicContact CG1-CB 4.47Å; H72-H76 AromaticContact CD2-NE2 3.63Å; H72-H76 AromaticContact CE1-CD2 3.56Å; H72-H76 AromaticContact CE1-NE2 3.05Å; H72-H76 PolarHBondContact CE1-NE2 3.27Å; H72-H76 AromaticContact ND1-CD2 3.78Å; H72-H76 AromaticContact ND1-NE2 3.71Å; H72-H76 AromaticContact NE2-CD2 3.79Å; H72-H76 AromaticContact NE2-CE1 3.96Å; H72-H76 AromaticContact NE2-NE2 2.95Å; H72-H76 PolarHBondContact NE2-NE2 3.31Å; H72-H76 PolarHBondContact O-CD2 2.8Å; H72-H76 PolarHBondContact O-N 3.01Å; K73-H76 PolarHBondContact O-N 3.42Å; C74-H76 VanDerWaalsContact C-N 3.3Å; C74-H76 PolarHBondContact O-N 3.01Å; H76-S79 PolarHBondContact O-N 3.29Å; H76-Y80 WeakPolarHBondContact O-CB 3.47Å; H76-Y80 PolarHBondContact O-N 3.3Å |
| 77 | I | 84.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 173.7 | -69.7 | -64.8 | 0 | 0 | 0 | 111 | L31 K73 C74 Y80 R81 L100 W103 L104 | L31-I77 HydrophobicContact CD1-CD1 4.43Å; K73-I77 WeakPolarHBondContact O-CG1 3.41Å; K73-I77 PolarHBondContact O-N 3.05Å; C74-I77 PolarHBondContact O-N 2.91Å; I77-Y80 PolarHBondContact O-N 2.81Å; I77-R81 PolarHBondContact O-N 3.49Å; I77-L100 HydrophobicContact CD1-CD2 4.26Å; I77-W103 HydrophobicContact CD1-CB 4.08Å; I77-W103 HydrophobicContact CD1-CD2 4.05Å; I77-W103 HydrophobicContact CD1-CG 3.79Å; I77-W103 HydrophobicContact CG1-CB 4.12Å; I77-W103 HydrophobicContact CG1-CD2 4.06Å; I77-W103 HydrophobicContact CG1-CE3 4.14Å; I77-W103 HydrophobicContact CG1-CG 4.08Å; I77-W103 HydrophobicContact CG2-CB 3.92Å; I77-L104 HydrophobicContact CG2-CD2 4.12Å |
| 78 | R | 89.8 | Confident | 86.3 | Confident | 117 Ų | 117 | 54.4 Ų | 54.4 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 177 | -71.1 | 175 | -169.9 | 159.3 | 3.7 | 110.7 | C74 V75 Y80 R81 F82 C107 | C74-R78 WeakPolarHBondContact O-CB 3.42Å; C74-R78 VanDerWaalsContact O-CG 3.3Å; C74-R78 WeakPolarHBondContact O-CG 3.45Å; C74-R78 PolarHBondContact O-N 3.46Å; V75-R78 PolarHBondContact O-N 3.32Å; R78-Y80 VanDerWaalsContact C-N 3.29Å; R78-Y80 PolarHBondContact O-N 3.08Å; R78-R81 WeakPolarHBondContact O-CB 3.05Å; R78-R81 PolarHBondContact O-N 2.92Å; R78-R81 VanDerWaalsContact O-N 3.14Å; R78-F82 HydrophobicContact CB-CE2 4.45Å; R78-F82 WeakPolarHBondContact O-CD2 3.4Å; R78-F82 PolarHBondContact O-N 2.94Å; R78-C107 PolarHBondContact NH2-O 2.93Å |
| 79 | S | 88.4 | Confident | 86.7 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 49% | 0.49 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.3 | -42.2 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | V75 H76 F82 C83 | V75-S79 WeakPolarHBondContact O-CB 3.49Å; V75-S79 PolarHBondContact O-N 3.22Å; H76-S79 PolarHBondContact O-N 3.29Å; S79-F82 WeakPolarHBondContact O-CB 3.27Å; S79-F82 PolarHBondContact O-N 3.07Å; S79-C83 PolarHBondContact O-N 2.94Å |
| 80 | Y | 85.9 | Confident | 87.1 | Confident | 14 Ų | 14 | 56 Ų | 56 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 175.4 | 177.6 | -112.2 | 0 | 0 | 0 | 112.6 | C27 L31 H76 I77 R78 F82 C83 L84 L96 L100 | C27-Y80 VanDerWaalsContact C-CE2 3.48Å; C27-Y80 HydrophobicContact CB-CD2 3.95Å; C27-Y80 HydrophobicContact CB-CE2 3.69Å; C27-Y80 VanDerWaalsContact O-CD2 3.29Å; C27-Y80 WeakPolarHBondContact O-CD2 3.38Å; C27-Y80 WeakPolarHBondContact O-CE2 3.48Å; L31-Y80 HydrophobicContact CB-CD2 3.74Å; L31-Y80 HydrophobicContact CB-CE2 4.32Å; L31-Y80 HydrophobicContact CB-CG 4.05Å; L31-Y80 HydrophobicContact CD1-CG 4.35Å; L31-Y80 HydrophobicContact CD2-CD1 3.79Å; L31-Y80 HydrophobicContact CD2-CD2 4.04Å; L31-Y80 HydrophobicContact CD2-CE1 4.06Å; L31-Y80 HydrophobicContact CD2-CE2 4.31Å; L31-Y80 HydrophobicContact CD2-CG 3.76Å; L31-Y80 HydrophobicContact CG-CD2 4.41Å; L31-Y80 HydrophobicContact CG-CG 4.27Å; H76-Y80 WeakPolarHBondContact O-CB 3.47Å; H76-Y80 PolarHBondContact O-N 3.3Å; I77-Y80 PolarHBondContact O-N 2.81Å; R78-Y80 VanDerWaalsContact C-N 3.29Å; R78-Y80 PolarHBondContact O-N 3.08Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; Y80-F82 PolarHBondContact O-N 3.37Å; Y80-C83 WeakPolarHBondContact O-CB 3.29Å; Y80-C83 PolarHBondContact O-N 3.34Å; Y80-C83 VanDerWaalsContact O-N 3.11Å; Y80-L84 HydrophobicContact CD1-CD1 4.12Å; Y80-L84 HydrophobicContact CD1-CG 4.45Å; Y80-L84 HydrophobicContact CE1-CD1 3.55Å; Y80-L84 HydrophobicContact CE1-CG 4.07Å; Y80-L84 HydrophobicContact CE2-CD1 4.5Å; Y80-L84 HydrophobicContact CE2-CD2 4.08Å; Y80-L84 HydrophobicContact CE2-CG 4.16Å; Y80-L84 WeakPolarHBondContact O-CG 3.42Å; Y80-L84 PolarHBondContact O-N 3.03Å; Y80-L96 WeakPolarHBondContact OH-CD2 3.36Å; Y80-L100 HydrophobicContact CD1-CD1 3.64Å; Y80-L100 HydrophobicContact CD1-CD2 3.63Å; Y80-L100 HydrophobicContact CD1-CG 4.17Å; Y80-L100 HydrophobicContact CE1-CD1 3.88Å; Y80-L100 HydrophobicContact CE1-CD2 3.8Å; Y80-L100 HydrophobicContact CE1-CG 4.17Å |
| 81 | R | 89.2 | Confident | 87.2 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 172.9 | -177.4 | 178.6 | 172.5 | -162.3 | -7.4 | 111.3 | I77 R78 C83 L84 V85 L100 S234 | I77-R81 PolarHBondContact O-N 3.49Å; R78-R81 WeakPolarHBondContact O-CB 3.05Å; R78-R81 PolarHBondContact O-N 2.92Å; R78-R81 VanDerWaalsContact O-N 3.14Å; R81-C83 VanDerWaalsContact C-N 3.29Å; R81-C83 PolarHBondContact O-N 3.25Å; R81-L84 PolarHBondContact O-N 3.39Å; R81-V85 WeakPolarHBondContact O-CG2 3.05Å; R81-V85 PolarHBondContact O-N 2.98Å; R81-L100 HydrophobicContact CB-CD1 4.03Å; R81-S234 PolarHBondContact NH2-O 3.22Å |
| 82 | F | 91.3 | Very high | 87.2 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 38% | 0.382 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 175.3 | -80 | -69.9 | 0 | 0 | 0 | 112.4 | R78 S79 Y80 L237 | R78-F82 HydrophobicContact CB-CE2 4.45Å; R78-F82 WeakPolarHBondContact O-CD2 3.4Å; R78-F82 PolarHBondContact O-N 2.94Å; S79-F82 WeakPolarHBondContact O-CB 3.27Å; S79-F82 PolarHBondContact O-N 3.07Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; Y80-F82 PolarHBondContact O-N 3.37Å; F82-L237 HydrophobicContact CD1-CD1 4.05Å; F82-L237 HydrophobicContact CD1-CD2 4.38Å; F82-L237 HydrophobicContact CD1-CG 4.45Å; F82-L237 HydrophobicContact CE1-CD1 3.2Å; F82-L237 HydrophobicContact CE1-CD2 3.63Å; F82-L237 HydrophobicContact CE1-CG 3.38Å; F82-L237 HydrophobicContact CE2-CD1 4.3Å; F82-L237 HydrophobicContact CZ-CD1 3.32Å; F82-L237 HydrophobicContact CZ-CD2 4.44Å; F82-L237 HydrophobicContact CZ-CG 3.69Å |
| 83 | C | 88.9 | Confident | 87.2 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -48.2 | 175.1 | -169 | 0 | 0 | 0 | 0 | 111.2 | C27 S79 Y80 R81 V85 R86 | C27-C83 WeakPolarHBondContact CA-SG 2.96Å; C27-C83 HydrophobicContact CB-CB 3.79Å; C27-C83 WeakPolarHBondContact CB-SG 3.06Å; C27-C83 WeakPolarHBondContact SG-CB 3.48Å; C27-C83 PolarHBondContact SG-O 3.27Å; C27-C83 CovalentContact SG-SG 2.03Å; C27-C83 PolarHBondContact SG-SG 3Å; S79-C83 PolarHBondContact O-N 2.94Å; Y80-C83 WeakPolarHBondContact O-CB 3.29Å; Y80-C83 PolarHBondContact O-N 3.34Å; Y80-C83 VanDerWaalsContact O-N 3.11Å; R81-C83 VanDerWaalsContact C-N 3.29Å; R81-C83 PolarHBondContact O-N 3.25Å; C83-V85 VanDerWaalsContact C-N 3.32Å; C83-V85 PolarHBondContact O-N 2.92Å; C83-R86 WeakPolarHBondContact O-CB 3.45Å; C83-R86 PolarHBondContact O-N 2.92Å; C83-R86 VanDerWaalsContact O-N 3.09Å |
| 84 | L | 85.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 179 | -70.1 | -177.7 | 0 | 0 | 0 | 112.8 | L24 C27 Y80 R81 R86 C87 R93 L96 L100 | L24-L84 HydrophobicContact CD2-CD2 3.7Å; C27-L84 HydrophobicContact CB-CD2 4.17Å; Y80-L84 HydrophobicContact CD1-CD1 4.12Å; Y80-L84 HydrophobicContact CD1-CG 4.45Å; Y80-L84 HydrophobicContact CE1-CD1 3.55Å; Y80-L84 HydrophobicContact CE1-CG 4.07Å; Y80-L84 HydrophobicContact CE2-CD1 4.5Å; Y80-L84 HydrophobicContact CE2-CD2 4.08Å; Y80-L84 HydrophobicContact CE2-CG 4.16Å; Y80-L84 WeakPolarHBondContact O-CG 3.42Å; Y80-L84 PolarHBondContact O-N 3.03Å; R81-L84 PolarHBondContact O-N 3.39Å; L84-R86 PolarHBondContact O-N 3.15Å; L84-C87 WeakPolarHBondContact O-CB 3.29Å; L84-C87 PolarHBondContact O-N 3.3Å; L84-R93 VanDerWaalsContact O-CD 3.27Å; L84-R93 WeakPolarHBondContact O-CD 3.29Å; L84-L96 HydrophobicContact CD1-CB 3.83Å; L84-L96 HydrophobicContact CD2-CB 4.4Å; L84-L96 HydrophobicContact CD2-CD1 4.11Å; L84-L100 HydrophobicContact CD1-CD1 3.95Å |
| 85 | V | 91.2 | Very high | 87.3 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.1 | -29.8 | 178.7 | 169.5 | 0 | 0 | 0 | 0 | 112.2 | R81 C83 C87 | R81-V85 WeakPolarHBondContact O-CG2 3.05Å; R81-V85 PolarHBondContact O-N 2.98Å; C83-V85 VanDerWaalsContact C-N 3.32Å; C83-V85 PolarHBondContact O-N 2.92Å; V85-C87 VanDerWaalsContact C-N 3.33Å |
| 86 | R | 91 | Very high | 86.9 | Confident | 213 Ų | 213 | 53.1 Ų | 53.1 | 80% | 0.804 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -77.6 | -18.2 | 177.3 | -63.7 | 176.9 | -178 | -172.6 | -0 | 113.3 | C83 L84 | C83-R86 WeakPolarHBondContact O-CB 3.45Å; C83-R86 PolarHBondContact O-N 2.92Å; C83-R86 VanDerWaalsContact O-N 3.09Å; L84-R86 PolarHBondContact O-N 3.15Å |
| 87 | C | 88.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -76 | 148.9 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | C23 L24 L84 V85 R93 | C23-C87 HydrophobicContact CB-CB 3.89Å; C23-C87 WeakPolarHBondContact CB-SG 3.26Å; C23-C87 WeakPolarHBondContact SG-CA 3.43Å; C23-C87 WeakPolarHBondContact SG-CB 3.4Å; C23-C87 CovalentContact SG-SG 2.05Å; C23-C87 PolarHBondContact SG-SG 2.69Å; L24-C87 HydrophobicContact CD2-CB 3.91Å; L24-C87 HydrophobicContact CG-CB 4.49Å; L84-C87 WeakPolarHBondContact O-CB 3.29Å; L84-C87 PolarHBondContact O-N 3.3Å; V85-C87 VanDerWaalsContact C-N 3.33Å; C87-R93 WeakPolarHBondContact O-CD 3.33Å; C87-R93 PolarHBondContact O-NH1 3.32Å |
| 88 | A | 89.7 | Confident | 86.9 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 145.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q20 S90 | Q20-A88 HydrophobicContact CB-CB 4.48Å; Q20-A88 HydrophobicContact CG-CB 4.22Å; Q20-A88 VanDerWaalsContact NE2-C 3.3Å; Q20-A88 VanDerWaalsContact NE2-CB 3.33Å; Q20-A88 PolarHBondContact NE2-O 3.41Å; A88-S90 PolarHBondContact O-N 3.49Å |
| 89 | D | 88.3 | Confident | 86.5 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 121.2 | 179 | -168.4 | 34.4 | 0 | 0 | 0 | 111.2 | Q20 R93 K94 | Q20-D89 PolarHBondContact NE2-O 3.45Å; D89-R93 VanDerWaalsContact CA-CZ 3.4Å; D89-R93 VanDerWaalsContact CB-NH2 3.35Å; D89-R93 IonicContact OD1-CZ 3.86Å; D89-R93 IonicContact OD1-NE 3.58Å; D89-R93 PolarHBondContact OD1-NE 2.95Å; D89-R93 IonicContact OD1-NH2 3.64Å; D89-R93 PolarHBondContact OD1-NH2 2.92Å; D89-K94 VanDerWaalsContact CG-CE 3.44Å; D89-K94 WeakPolarHBondContact OD1-CE 3.28Å; D89-K94 IonicContact OD1-NZ 3.57Å; D89-K94 WeakPolarHBondContact OD2-CE 3.49Å; D89-K94 IonicContact OD2-NZ 2.63Å; D89-K94 PolarHBondContact OD2-NZ 3.28Å |
| 90 | S | 86 | Confident | 86.3 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 12% | 0.119 | 24% | 0.239 | C | C | . | . | trans | -153.2 | 164.6 | 176.9 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | Q20 A88 R93 K94 | Q20-S90 PolarHBondContact NE2-OG 2.88Å; A88-S90 PolarHBondContact O-N 3.49Å; S90-R93 WeakPolarHBondContact O-CB 3.45Å; S90-R93 PolarHBondContact O-N 3.14Å; S90-K94 WeakPolarHBondContact O-CG 3.5Å; S90-K94 PolarHBondContact O-N 2.92Å | ||
| 91 | L | 83.6 | Confident | 86.4 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.1 | -49.6 | 175.7 | 177.1 | 58.8 | 0 | 0 | 0 | 112.8 | R93 K94 I95 L204 | L91-R93 VanDerWaalsContact C-N 3.31Å; L91-R93 PolarHBondContact O-N 3.43Å; L91-K94 WeakPolarHBondContact O-CB 3.16Å; L91-K94 PolarHBondContact O-N 2.89Å; L91-K94 VanDerWaalsContact O-N 3.08Å; L91-I95 HydrophobicContact CD1-CD1 3.89Å; L91-I95 HydrophobicContact CD1-CG1 4.07Å; L91-I95 HydrophobicContact CG-CD1 3.98Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.19Å; L91-L204 HydrophobicContact CD1-CB 3.74Å; L91-L204 WeakPolarHBondContact CD1-O 3.49Å |
| 92 | P | 82.2 | Confident | 86.2 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 13% | 0.13 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -49.9 | -46.1 | 170.4 | -35.6 | 40.1 | 0 | 0 | 0 | 114.5 | L24 K94 I95 L96 A270 Q273 | L24-P92 HydrophobicContact CD1-CB 3.59Å; P92-K94 PolarHBondContact O-N 3.14Å; P92-I95 PolarHBondContact O-N 3.25Å; P92-L96 WeakPolarHBondContact O-CB 3.39Å; P92-L96 WeakPolarHBondContact O-CD1 3.39Å; P92-L96 VanDerWaalsContact O-CG 3.23Å; P92-L96 WeakPolarHBondContact O-CG 3.42Å; P92-L96 PolarHBondContact O-N 3.44Å; P92-A270 HydrophobicContact CB-CB 3.64Å; P92-A270 HydrophobicContact CG-CB 4.34Å; P92-Q273 HydrophobicContact CG-CB 4.45Å |
| 93 | R | 85 | Confident | 85.9 | Confident | 50 Ų | 50 | 41 Ų | 41 | 19% | 0.189 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 177.5 | -172.6 | -172.2 | 77.8 | 159.4 | 9.5 | 111.6 | L24 L84 C87 D89 S90 L91 L96 N97 | L24-R93 HydrophobicContact CD2-CB 4.09Å; L24-R93 HydrophobicContact CD2-CG 4.32Å; L84-R93 VanDerWaalsContact O-CD 3.27Å; L84-R93 WeakPolarHBondContact O-CD 3.29Å; C87-R93 WeakPolarHBondContact O-CD 3.33Å; C87-R93 PolarHBondContact O-NH1 3.32Å; D89-R93 VanDerWaalsContact CA-CZ 3.4Å; D89-R93 VanDerWaalsContact CB-NH2 3.35Å; D89-R93 IonicContact OD1-CZ 3.86Å; D89-R93 IonicContact OD1-NE 3.58Å; D89-R93 PolarHBondContact OD1-NE 2.95Å; D89-R93 IonicContact OD1-NH2 3.64Å; D89-R93 PolarHBondContact OD1-NH2 2.92Å; S90-R93 WeakPolarHBondContact O-CB 3.45Å; S90-R93 PolarHBondContact O-N 3.14Å; L91-R93 VanDerWaalsContact C-N 3.31Å; L91-R93 PolarHBondContact O-N 3.43Å; R93-L96 PolarHBondContact O-N 3.26Å; R93-N97 PolarHBondContact O-N 3.22Å; R93-N97 PolarHBondContact O-ND2 3.09Å |
| 94 | K | 87.6 | Confident | 85.9 | Confident | 90 Ų | 90 | 40.7 Ų | 40.7 | 39% | 0.391 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 178.8 | -68.6 | 173.2 | -170.8 | 179.4 | 0 | 111.1 | D89 S90 L91 P92 L96 N97 L98 L204 | D89-K94 VanDerWaalsContact CG-CE 3.44Å; D89-K94 WeakPolarHBondContact OD1-CE 3.28Å; D89-K94 IonicContact OD1-NZ 3.57Å; D89-K94 WeakPolarHBondContact OD2-CE 3.49Å; D89-K94 IonicContact OD2-NZ 2.63Å; D89-K94 PolarHBondContact OD2-NZ 3.28Å; S90-K94 WeakPolarHBondContact O-CG 3.5Å; S90-K94 PolarHBondContact O-N 2.92Å; L91-K94 WeakPolarHBondContact O-CB 3.16Å; L91-K94 PolarHBondContact O-N 2.89Å; L91-K94 VanDerWaalsContact O-N 3.08Å; P92-K94 PolarHBondContact O-N 3.14Å; K94-L96 VanDerWaalsContact C-N 3.35Å; K94-L96 PolarHBondContact O-N 3.49Å; K94-N97 PolarHBondContact O-N 2.63Å; K94-L98 WeakPolarHBondContact O-CG 3.36Å; K94-L98 PolarHBondContact O-N 3.39Å; K94-L204 HydrophobicContact CB-CD1 3.93Å |
| 95 | I | 81.9 | Confident | 86 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.4 | -68.6 | 173.2 | 0 | 0 | 0 | 110.9 | L91 P92 L98 G99 M201 L204 Y205 A266 A269 | L91-I95 HydrophobicContact CD1-CD1 3.89Å; L91-I95 HydrophobicContact CD1-CG1 4.07Å; L91-I95 HydrophobicContact CG-CD1 3.98Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.19Å; P92-I95 PolarHBondContact O-N 3.25Å; I95-L98 PolarHBondContact O-N 2.95Å; I95-G99 PolarHBondContact O-N 3.39Å; I95-G99 VanDerWaalsContact O-N 3.09Å; I95-M201 HydrophobicContact CG2-CB 4.35Å; I95-M201 HydrophobicContact CG2-CE 3.61Å; I95-M201 HydrophobicContact CG2-CG 4.09Å; I95-L204 HydrophobicContact CG1-CB 4.12Å; I95-L204 HydrophobicContact CG1-CD1 4.46Å; I95-Y205 HydrophobicContact CD1-CD2 4.41Å; I95-A266 HydrophobicContact CG2-CB 4.13Å; I95-A269 HydrophobicContact CD1-CB 4.21Å; I95-A269 HydrophobicContact CG2-CB 4.13Å |
| 96 | L | 81.5 | Confident | 85.8 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.2 | -71.1 | 163.5 | 0 | 0 | 0 | 112.2 | L24 Y80 L84 P92 R93 K94 L98 G99 L100 A266 M267 A270 | L24-L96 HydrophobicContact CD2-CD1 4.07Å; Y80-L96 WeakPolarHBondContact OH-CD2 3.36Å; L84-L96 HydrophobicContact CD1-CB 3.83Å; L84-L96 HydrophobicContact CD2-CB 4.4Å; L84-L96 HydrophobicContact CD2-CD1 4.11Å; P92-L96 WeakPolarHBondContact O-CB 3.39Å; P92-L96 WeakPolarHBondContact O-CD1 3.39Å; P92-L96 VanDerWaalsContact O-CG 3.23Å; P92-L96 WeakPolarHBondContact O-CG 3.42Å; P92-L96 PolarHBondContact O-N 3.44Å; R93-L96 PolarHBondContact O-N 3.26Å; K94-L96 VanDerWaalsContact C-N 3.35Å; K94-L96 PolarHBondContact O-N 3.49Å; L96-L98 PolarHBondContact O-N 3.47Å; L96-G99 PolarHBondContact O-N 3.41Å; L96-L100 PolarHBondContact O-N 3Å; L96-A266 HydrophobicContact CD2-CB 3.45Å; L96-A266 VanDerWaalsContact CD2-CB 3.45Å; L96-A266 HydrophobicContact CG-CB 4.16Å; L96-M267 HydrophobicContact CD2-CG 3.9Å; L96-A270 HydrophobicContact CD1-CB 4.33Å |
| 97 | N | 85 | Confident | 85.7 | Confident | 41 Ų | 41 | 27.3 Ų | 27.3 | 22% | 0.219 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.8 | -81.2 | -42.4 | 0 | 0 | 0 | 112.4 | R93 K94 G99 L100 | R93-N97 PolarHBondContact O-N 3.22Å; R93-N97 PolarHBondContact O-ND2 3.09Å; K94-N97 PolarHBondContact O-N 2.63Å; N97-G99 VanDerWaalsContact C-N 3.29Å; N97-G99 PolarHBondContact O-N 3.28Å; N97-L100 WeakPolarHBondContact O-CB 3.48Å; N97-L100 PolarHBondContact O-N 3.02Å |
| 98 | L | 84.3 | Confident | 85.8 | Confident | 25 Ų | 25 | 29.8 Ų | 29.8 | 13% | 0.131 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -38.1 | 176.2 | -72.3 | 177 | 0 | 0 | 0 | 112.5 | K94 I95 L96 L100 N101 S197 E200 M201 L204 | K94-L98 WeakPolarHBondContact O-CG 3.36Å; K94-L98 PolarHBondContact O-N 3.39Å; I95-L98 PolarHBondContact O-N 2.95Å; L96-L98 PolarHBondContact O-N 3.47Å; L98-L100 PolarHBondContact O-N 2.8Å; L98-N101 WeakPolarHBondContact O-CB 3.15Å; L98-N101 PolarHBondContact O-N 3.14Å; L98-S197 WeakPolarHBondContact O-CB 3.23Å; L98-S197 PolarHBondContact O-OG 3.08Å; L98-E200 HydrophobicContact CD1-CB 3.7Å; L98-E200 HydrophobicContact CD2-CB 4.34Å; L98-E200 VanDerWaalsContact CD2-OE2 3.23Å; L98-E200 WeakPolarHBondContact CD2-OE2 3.42Å; L98-M201 HydrophobicContact CB-CG 3.62Å; L98-M201 HydrophobicContact CB-SD 4.36Å; L98-M201 HydrophobicContact CD1-CG 3.94Å; L98-M201 HydrophobicContact CG-CG 4.48Å; L98-L204 HydrophobicContact CD1-CD1 3.48Å; L98-L204 VanDerWaalsContact CD1-CD1 3.48Å; L98-L204 HydrophobicContact CD1-CG 4.32Å; L98-L204 HydrophobicContact CG-CD1 4.5Å |
| 99 | G | 81.6 | Confident | 85.6 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -18.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I95 L96 N97 | I95-G99 PolarHBondContact O-N 3.39Å; I95-G99 VanDerWaalsContact O-N 3.09Å; L96-G99 PolarHBondContact O-N 3.41Å; N97-G99 VanDerWaalsContact C-N 3.29Å; N97-G99 PolarHBondContact O-N 3.28Å |
| 100 | L | 84.5 | Confident | 85.6 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -84.5 | -19 | 176.2 | -62.4 | 176 | 0 | 0 | 0 | 113.6 | I77 Y80 R81 L84 L96 N97 L98 P102 W103 L104 | I77-L100 HydrophobicContact CD1-CD2 4.26Å; Y80-L100 HydrophobicContact CD1-CD1 3.64Å; Y80-L100 HydrophobicContact CD1-CD2 3.63Å; Y80-L100 HydrophobicContact CD1-CG 4.17Å; Y80-L100 HydrophobicContact CE1-CD1 3.88Å; Y80-L100 HydrophobicContact CE1-CD2 3.8Å; Y80-L100 HydrophobicContact CE1-CG 4.17Å; R81-L100 HydrophobicContact CB-CD1 4.03Å; L84-L100 HydrophobicContact CD1-CD1 3.95Å; L96-L100 PolarHBondContact O-N 3Å; N97-L100 WeakPolarHBondContact O-CB 3.48Å; N97-L100 PolarHBondContact O-N 3.02Å; L98-L100 PolarHBondContact O-N 2.8Å; L100-P102 VanDerWaalsContact C-CD 3.49Å; L100-W103 CarbonylContact O-C 3.6Å; L100-W103 WeakPolarHBondContact O-CA 3.33Å; L100-W103 WeakPolarHBondContact O-CB 3.14Å; L100-W103 PolarHBondContact O-N 3.33Å; L100-L104 HydrophobicContact CB-CD1 4.22Å; L100-L104 HydrophobicContact CB-CG 4.24Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 2.95Å |
| 101 | N | 87.4 | Confident | 85.6 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -50.9 | -45.1 | -174.5 | -74 | -8.7 | 0 | 0 | 0 | 114.1 | L98 W103 L104 F105 I193 S197 F231 | L98-N101 WeakPolarHBondContact O-CB 3.15Å; L98-N101 PolarHBondContact O-N 3.14Å; N101-W103 VanDerWaalsContact C-N 3.29Å; N101-W103 PolarHBondContact O-N 3.05Å; N101-L104 PolarHBondContact O-N 3.42Å; N101-F105 PolarHBondContact O-N 3.11Å; N101-I193 HydrophobicContact CB-CG2 4.01Å; N101-S197 WeakPolarHBondContact CB-OG 3.34Å; N101-S197 PolarHBondContact ND2-OG 2.94Å; N101-S197 VanDerWaalsContact ND2-OG 3.15Å; N101-F231 HydrophobicContact CB-CE1 4.29Å; N101-F231 HydrophobicContact CB-CZ 3.78Å; N101-F231 WeakPolarHBondContact OD1-CE1 3.45Å |
| 102 | P | 85.6 | Confident | 85.7 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.045 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.8 | -35.1 | 178.4 | -26.2 | 39.8 | 0 | 0 | 0 | 112.8 | P52 L100 I106 L190 I193 | P52-P102 HydrophobicContact CB-CB 4.44Å; P52-P102 HydrophobicContact CG-CB 3.3Å; P52-P102 HydrophobicContact CG-CG 4.4Å; L100-P102 VanDerWaalsContact C-CD 3.49Å; P102-I106 WeakPolarHBondContact O-CD1 2.9Å; P102-I106 PolarHBondContact O-N 2.95Å; P102-L190 HydrophobicContact CB-CD1 3.92Å; P102-I193 HydrophobicContact CG-CG2 4.21Å |
| 103 | W | 84.4 | Confident | 85.8 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.5 | -41.7 | 173.3 | -84.6 | 109.2 | 0 | 0 | 0 | 112.2 | S49 P52 S55 K73 I77 L100 N101 F105 I106 C107 | S49-W103 WeakPolarHBondContact OG-CZ2 3.5Å; P52-W103 HydrophobicContact CB-CD2 4.29Å; P52-W103 HydrophobicContact CB-CZ2 4.44Å; P52-W103 HydrophobicContact CG-CG 4.41Å; S55-W103 VanDerWaalsContact CB-CH2 3.47Å; S55-W103 WeakPolarHBondContact OG-CH2 3.2Å; K73-W103 HydrophobicContact CB-CZ3 4.25Å; K73-W103 HydrophobicContact CD-CH2 4.03Å; K73-W103 HydrophobicContact CD-CZ3 4.45Å; I77-W103 HydrophobicContact CD1-CB 4.08Å; I77-W103 HydrophobicContact CD1-CD2 4.05Å; I77-W103 HydrophobicContact CD1-CG 3.79Å; I77-W103 HydrophobicContact CG1-CB 4.12Å; I77-W103 HydrophobicContact CG1-CD2 4.06Å; I77-W103 HydrophobicContact CG1-CE3 4.14Å; I77-W103 HydrophobicContact CG1-CG 4.08Å; I77-W103 HydrophobicContact CG2-CB 3.92Å; L100-W103 CarbonylContact O-C 3.6Å; L100-W103 WeakPolarHBondContact O-CA 3.33Å; L100-W103 WeakPolarHBondContact O-CB 3.14Å; L100-W103 PolarHBondContact O-N 3.33Å; N101-W103 VanDerWaalsContact C-N 3.29Å; N101-W103 PolarHBondContact O-N 3.05Å; W103-F105 PolarHBondContact O-N 3.31Å; W103-I106 PolarHBondContact O-N 3.06Å; W103-C107 VanDerWaalsContact O-CB 3.28Å; W103-C107 WeakPolarHBondContact O-CB 3.35Å; W103-C107 PolarHBondContact O-N 3.35Å; W103-C107 PolarHBondContact O-SG 2.92Å |
| 104 | L | 88.5 | Confident | 85.9 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.105 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -34 | 176.7 | -66.6 | 175.8 | 0 | 0 | 0 | 111.8 | I77 L100 N101 R108 | I77-L104 HydrophobicContact CG2-CD2 4.12Å; L100-L104 HydrophobicContact CB-CD1 4.22Å; L100-L104 HydrophobicContact CB-CG 4.24Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 2.95Å; N101-L104 PolarHBondContact O-N 3.42Å; L104-R108 WeakPolarHBondContact O-CG 3.21Å; L104-R108 PolarHBondContact O-N 3.18Å |
| 105 | F | 87.7 | Confident | 85.7 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -55.5 | 170.1 | 172.8 | -103.6 | 0 | 0 | 0 | 111.5 | N101 W103 C107 R108 S111 F186 M189 L190 I193 | N101-F105 PolarHBondContact O-N 3.11Å; W103-F105 PolarHBondContact O-N 3.31Å; F105-C107 PolarHBondContact O-N 3.37Å; F105-R108 WeakPolarHBondContact O-CB 3.24Å; F105-R108 WeakPolarHBondContact O-CG 3.16Å; F105-R108 PolarHBondContact O-N 3.45Å; F105-R108 VanDerWaalsContact O-N 3.12Å; F105-S111 WeakPolarHBondContact O-CB 3.34Å; F105-S111 PolarHBondContact O-OG 2.88Å; F105-S111 VanDerWaalsContact O-OG 3.08Å; F105-F186 HydrophobicContact CD1-CZ 4.45Å; F105-F186 HydrophobicContact CE1-CD2 4.07Å; F105-F186 HydrophobicContact CE1-CE1 4.44Å; F105-F186 AromaticContact CE1-CE2 3.61Å; F105-F186 HydrophobicContact CE1-CE2 3.61Å; F105-F186 AromaticContact CE1-CZ 3.81Å; F105-F186 HydrophobicContact CE1-CZ 3.81Å; F105-F186 HydrophobicContact CZ-CD2 4.17Å; F105-F186 AromaticContact CZ-CE2 3.99Å; F105-F186 HydrophobicContact CZ-CE2 3.99Å; F105-M189 HydrophobicContact CD2-SD 4.44Å; F105-M189 HydrophobicContact CE2-CG 3.87Å; F105-M189 HydrophobicContact CE2-SD 3.38Å; F105-M189 WeakPolarHBondContact CE2-SD 3.34Å; F105-M189 HydrophobicContact CZ-CB 4.08Å; F105-M189 HydrophobicContact CZ-CG 3.8Å; F105-M189 HydrophobicContact CZ-SD 3.62Å; F105-L190 HydrophobicContact CD1-CB 4.27Å; F105-L190 HydrophobicContact CD1-CD1 3.98Å; F105-L190 HydrophobicContact CE1-CB 4.08Å; F105-I193 HydrophobicContact CB-CD1 3.69Å; F105-I193 HydrophobicContact CD1-CD1 4.06Å; F105-I193 HydrophobicContact CD2-CD1 3.37Å; F105-I193 HydrophobicContact CE2-CD1 3.99Å; F105-I193 HydrophobicContact CG-CD1 3.41Å; F105-I193 VanDerWaalsContact CG-CD1 3.41Å |
| 106 | I | 87 | Confident | 85.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.8 | -38.4 | 178.5 | -71.6 | 156 | 0 | 0 | 0 | 111.8 | P52 I56 P102 W103 R108 S111 I112 L115 F186 L190 | P52-I106 HydrophobicContact CB-CD1 3.13Å; P52-I106 HydrophobicContact CG-CD1 4.2Å; I56-I106 HydrophobicContact CD1-CD1 3.5Å; I56-I106 VanDerWaalsContact CD1-CD1 3.5Å; I56-I106 HydrophobicContact CD1-CG1 3.98Å; I56-I106 HydrophobicContact CG1-CD1 4.36Å; P102-I106 WeakPolarHBondContact O-CD1 2.9Å; P102-I106 PolarHBondContact O-N 2.95Å; W103-I106 PolarHBondContact O-N 3.06Å; I106-R108 PolarHBondContact O-N 2.87Å; I106-S111 WeakPolarHBondContact O-CB 3.49Å; I106-I112 WeakPolarHBondContact O-CG1 3.37Å; I106-L115 HydrophobicContact CG2-CD1 4.02Å; I106-F186 HydrophobicContact CG1-CZ 4.15Å; I106-L190 HydrophobicContact CD1-CD1 3.79Å; I106-L190 HydrophobicContact CD1-CD2 3.92Å; I106-L190 HydrophobicContact CG1-CD1 4.07Å; I106-L190 HydrophobicContact CG1-CD2 4.32Å |
| 107 | C | 89.5 | Confident | 86.2 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.034 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 7.6 | -176.3 | -65.5 | 0 | 0 | 0 | 0 | 114.9 | C74 R78 W103 F105 | C74-C107 WeakPolarHBondContact CA-SG 3.02Å; C74-C107 HydrophobicContact CB-CB 3.62Å; C74-C107 WeakPolarHBondContact CB-SG 2.98Å; C74-C107 WeakPolarHBondContact SG-CA 3.45Å; C74-C107 WeakPolarHBondContact SG-CB 3.23Å; C74-C107 CovalentContact SG-SG 2.04Å; C74-C107 PolarHBondContact SG-SG 3.44Å; R78-C107 PolarHBondContact NH2-O 2.93Å; W103-C107 VanDerWaalsContact O-CB 3.28Å; W103-C107 WeakPolarHBondContact O-CB 3.35Å; W103-C107 PolarHBondContact O-N 3.35Å; W103-C107 PolarHBondContact O-SG 2.92Å; F105-C107 PolarHBondContact O-N 3.37Å |
| 108 | R | 91 | Very high | 86.3 | Confident | 56 Ų | 56 | 41.6 Ų | 41.6 | 21% | 0.211 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -72.5 | 142 | 165.2 | -64.7 | 176.9 | -170.9 | -150.3 | -2.4 | 109.1 | L104 F105 I106 E110 S111 I112 S230 | L104-R108 WeakPolarHBondContact O-CG 3.21Å; L104-R108 PolarHBondContact O-N 3.18Å; F105-R108 WeakPolarHBondContact O-CB 3.24Å; F105-R108 WeakPolarHBondContact O-CG 3.16Å; F105-R108 PolarHBondContact O-N 3.45Å; F105-R108 VanDerWaalsContact O-N 3.12Å; I106-R108 PolarHBondContact O-N 2.87Å; R108-E110 VanDerWaalsContact C-N 3.33Å; R108-E110 PolarHBondContact O-N 3.39Å; R108-S111 WeakPolarHBondContact O-CA 3.38Å; R108-S111 WeakPolarHBondContact O-CB 3.39Å; R108-S111 PolarHBondContact O-N 3.33Å; R108-I112 WeakPolarHBondContact O-CG1 3.47Å; R108-I112 PolarHBondContact O-N 2.94Å; R108-S230 PolarHBondContact NH1-O 2.9Å; R108-S230 PolarHBondContact NH2-O 3.05Å |
| 109 | R | 84.9 | Confident | 86.3 | Confident | 192 Ų | 192 | 41.5 Ų | 41.5 | 73% | 0.725 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -52.1 | -51.5 | -179.6 | -177.9 | 176.2 | 178.3 | 165.2 | 4.3 | 112.1 | S111 I112 E113 | R109-S111 PolarHBondContact O-N 3.37Å; R109-I112 PolarHBondContact O-N 3.38Å; R109-I112 VanDerWaalsContact O-N 3.16Å; R109-E113 HydrophobicContact CG-CG 4.47Å; R109-E113 VanDerWaalsContact CG-OE1 3.29Å; R109-E113 WeakPolarHBondContact CG-OE1 3.2Å; R109-E113 IonicContact CZ-OE1 3.78Å; R109-E113 IonicContact NE-OE1 2.89Å; R109-E113 PolarHBondContact NE-OE1 3.3Å; R109-E113 IonicContact NH2-OE1 3.79Å; R109-E113 WeakPolarHBondContact O-CG 2.92Å; R109-E113 PolarHBondContact O-N 3.27Å |
| 110 | E | 87.9 | Confident | 86.5 | Confident | 136 Ų | 136 | 44.8 Ų | 44.8 | 64% | 0.636 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -57.8 | -35.7 | 177.2 | -61.5 | 169.7 | -179.3 | 0 | 0 | 112.9 | R108 N114 | R108-E110 VanDerWaalsContact C-N 3.33Å; R108-E110 PolarHBondContact O-N 3.39Å; E110-N114 VanDerWaalsContact O-CB 3.25Å; E110-N114 WeakPolarHBondContact O-CB 3.39Å; E110-N114 PolarHBondContact O-N 2.87Å; E110-N114 PolarHBondContact O-ND2 3.28Å; E110-N114 VanDerWaalsContact O-ND2 3.1Å |
| 111 | S | 86.8 | Confident | 86.7 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.9 | -39 | 179.3 | -71.1 | 0 | 0 | 0 | 0 | 112 | F105 I106 R108 R109 L115 | F105-S111 WeakPolarHBondContact O-CB 3.34Å; F105-S111 PolarHBondContact O-OG 2.88Å; F105-S111 VanDerWaalsContact O-OG 3.08Å; I106-S111 WeakPolarHBondContact O-CB 3.49Å; R108-S111 WeakPolarHBondContact O-CA 3.38Å; R108-S111 WeakPolarHBondContact O-CB 3.39Å; R108-S111 PolarHBondContact O-N 3.33Å; R109-S111 PolarHBondContact O-N 3.37Å; S111-L115 WeakPolarHBondContact O-CB 3.33Å; S111-L115 WeakPolarHBondContact O-CG 3.43Å; S111-L115 PolarHBondContact O-N 3.36Å |
| 112 | I | 84.9 | Confident | 86.7 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.5 | -44.2 | 173.9 | -57.8 | -179.6 | 0 | 0 | 0 | 110.1 | Y67 E71 I106 R108 R109 L115 S116 | Y67-I112 HydrophobicContact CD2-CG2 3.82Å; Y67-I112 HydrophobicContact CE2-CG2 3.33Å; E71-I112 HydrophobicContact CG-CD1 4.32Å; E71-I112 HydrophobicContact CG-CG2 4.48Å; I106-I112 WeakPolarHBondContact O-CG1 3.37Å; R108-I112 WeakPolarHBondContact O-CG1 3.47Å; R108-I112 PolarHBondContact O-N 2.94Å; R109-I112 PolarHBondContact O-N 3.38Å; R109-I112 VanDerWaalsContact O-N 3.16Å; I112-L115 PolarHBondContact O-N 3.16Å; I112-S116 PolarHBondContact O-N 2.95Å |
| 113 | E | 85.8 | Confident | 86.6 | Confident | 79 Ų | 79 | 46.7 Ų | 46.7 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 176.1 | -72.5 | 172.6 | -175.2 | 0 | 0 | 111 | R109 L115 S116 I117 | R109-E113 HydrophobicContact CG-CG 4.47Å; R109-E113 VanDerWaalsContact CG-OE1 3.29Å; R109-E113 WeakPolarHBondContact CG-OE1 3.2Å; R109-E113 IonicContact CZ-OE1 3.78Å; R109-E113 IonicContact NE-OE1 2.89Å; R109-E113 PolarHBondContact NE-OE1 3.3Å; R109-E113 IonicContact NH2-OE1 3.79Å; R109-E113 WeakPolarHBondContact O-CG 2.92Å; R109-E113 PolarHBondContact O-N 3.27Å; E113-L115 PolarHBondContact O-N 2.93Å; E113-S116 WeakPolarHBondContact O-CB 3.28Å; E113-S116 PolarHBondContact O-N 2.91Å; E113-S116 VanDerWaalsContact O-N 3.14Å; E113-S116 PolarHBondContact O-OG 2.71Å; E113-I117 PolarHBondContact O-N 2.95Å |
| 114 | N | 86 | Confident | 86.7 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.4 | -76.5 | -29.2 | 0 | 0 | 0 | 112.1 | E110 S116 I117 F118 | E110-N114 VanDerWaalsContact O-CB 3.25Å; E110-N114 WeakPolarHBondContact O-CB 3.39Å; E110-N114 PolarHBondContact O-N 2.87Å; E110-N114 PolarHBondContact O-ND2 3.28Å; E110-N114 VanDerWaalsContact O-ND2 3.1Å; N114-S116 VanDerWaalsContact C-N 3.26Å; N114-S116 PolarHBondContact O-N 3.45Å; N114-I117 WeakPolarHBondContact O-CB 3.45Å; N114-I117 PolarHBondContact O-N 3.44Å; N114-F118 HydrophobicContact CB-CE2 3.99Å; N114-F118 HydrophobicContact CB-CZ 4.43Å; N114-F118 WeakPolarHBondContact O-CD2 3.21Å; N114-F118 VanDerWaalsContact O-CE2 3.32Å; N114-F118 WeakPolarHBondContact O-CE2 3.07Å; N114-F118 WeakPolarHBondContact O-CG 3.41Å; N114-F118 PolarHBondContact O-N 3.02Å |
| 115 | L | 84.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | 175.9 | -85.1 | 169.8 | 0 | 0 | 0 | 111.1 | I56 L70 I106 S111 I112 E113 I117 F118 L119 L122 F186 F187 | I56-L115 HydrophobicContact CD1-CD1 4.35Å; L70-L115 HydrophobicContact CD1-CD1 4.18Å; I106-L115 HydrophobicContact CG2-CD1 4.02Å; S111-L115 WeakPolarHBondContact O-CB 3.33Å; S111-L115 WeakPolarHBondContact O-CG 3.43Å; S111-L115 PolarHBondContact O-N 3.36Å; I112-L115 PolarHBondContact O-N 3.16Å; E113-L115 PolarHBondContact O-N 2.93Å; L115-I117 PolarHBondContact O-N 3.41Å; L115-F118 CarbonylContact O-C 3.53Å; L115-F118 WeakPolarHBondContact O-CA 3.39Å; L115-F118 PolarHBondContact O-N 3.26Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 2.95Å; L115-L122 HydrophobicContact CD2-CD1 4.27Å; L115-F186 HydrophobicContact CD1-CE1 4.01Å; L115-F186 HydrophobicContact CD1-CE2 4.41Å; L115-F186 HydrophobicContact CD1-CZ 3.61Å; L115-F186 HydrophobicContact CD2-CD1 4.05Å; L115-F186 HydrophobicContact CD2-CE1 3.59Å; L115-F186 HydrophobicContact CD2-CZ 3.97Å; L115-F186 HydrophobicContact CG-CD1 4.45Å; L115-F186 HydrophobicContact CG-CE1 3.79Å; L115-F186 HydrophobicContact CG-CE2 4.11Å; L115-F186 HydrophobicContact CG-CZ 3.59Å; L115-F187 HydrophobicContact CD2-CZ 4.27Å |
| 116 | S | 83.8 | Confident | 86.3 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.7 | -34.8 | 179.5 | 81.3 | 0 | 0 | 0 | 0 | 113.2 | I112 E113 N114 F118 | I112-S116 PolarHBondContact O-N 2.95Å; E113-S116 WeakPolarHBondContact O-CB 3.28Å; E113-S116 PolarHBondContact O-N 2.91Å; E113-S116 VanDerWaalsContact O-N 3.14Å; E113-S116 PolarHBondContact O-OG 2.71Å; N114-S116 VanDerWaalsContact C-N 3.26Å; N114-S116 PolarHBondContact O-N 3.45Å; S116-F118 VanDerWaalsContact C-N 3.34Å |
| 117 | I | 88.6 | Confident | 85.9 | Confident | 120 Ų | 120 | 59.2 Ų | 59.2 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.3 | -37.5 | 175.3 | -60.8 | 168 | 0 | 0 | 0 | 110.7 | E113 N114 L115 | E113-I117 PolarHBondContact O-N 2.95Å; N114-I117 WeakPolarHBondContact O-CB 3.45Å; N114-I117 PolarHBondContact O-N 3.44Å; L115-I117 PolarHBondContact O-N 3.41Å |
| 118 | F | 87.5 | Confident | 85.5 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -84.9 | -20.4 | -177.4 | -50.9 | -36.6 | 0 | 0 | 0 | 113.5 | N114 L115 S116 P120 C121 L122 S182 A183 F186 | N114-F118 HydrophobicContact CB-CE2 3.99Å; N114-F118 HydrophobicContact CB-CZ 4.43Å; N114-F118 WeakPolarHBondContact O-CD2 3.21Å; N114-F118 VanDerWaalsContact O-CE2 3.32Å; N114-F118 WeakPolarHBondContact O-CE2 3.07Å; N114-F118 WeakPolarHBondContact O-CG 3.41Å; N114-F118 PolarHBondContact O-N 3.02Å; L115-F118 CarbonylContact O-C 3.53Å; L115-F118 WeakPolarHBondContact O-CA 3.39Å; L115-F118 PolarHBondContact O-N 3.26Å; S116-F118 VanDerWaalsContact C-N 3.34Å; F118-P120 VanDerWaalsContact C-CD 3.47Å; F118-C121 PolarHBondContact O-N 3.38Å; F118-C121 VanDerWaalsContact O-N 3.09Å; F118-L122 HydrophobicContact CB-CD1 3.75Å; F118-L122 HydrophobicContact CB-CG 4.14Å; F118-L122 WeakPolarHBondContact O-CG 3.29Å; F118-L122 PolarHBondContact O-N 2.04Å; F118-S182 WeakPolarHBondContact CE1-O 3.39Å; F118-A183 HydrophobicContact CB-CB 3.85Å; F118-A183 HydrophobicContact CD1-CB 4.09Å; F118-A183 HydrophobicContact CD2-CB 3.72Å; F118-A183 HydrophobicContact CE2-CB 4.31Å; F118-A183 HydrophobicContact CG-CB 3.6Å; F118-F186 HydrophobicContact CE2-CB 4.02Å; F118-F186 HydrophobicContact CE2-CG 4.49Å |
| 119 | L | 84.3 | Confident | 84.8 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -49.1 | -47.1 | -173.9 | -80.8 | -176.6 | 0 | 0 | 0 | 113.6 | I60 T66 L115 C121 L122 T123 | I60-L119 HydrophobicContact CD1-CD2 3.91Å; I60-L119 HydrophobicContact CG1-CD2 3.74Å; T66-L119 HydrophobicContact CG2-CD1 4.1Å; T66-L119 HydrophobicContact CG2-CD2 3.48Å; T66-L119 VanDerWaalsContact CG2-CD2 3.48Å; T66-L119 HydrophobicContact CG2-CG 4.45Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 2.95Å; L119-C121 VanDerWaalsContact C-N 3.29Å; L119-C121 PolarHBondContact O-N 2.88Å; L119-L122 PolarHBondContact O-N 2.88Å; L119-T123 VanDerWaalsContact O-CB 3.29Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 2.96Å; L119-T123 PolarHBondContact O-OG1 3.42Å; L119-T123 VanDerWaalsContact O-OG1 3.08Å |
| 120 | P | 86.5 | Confident | 84.3 | Confident | 93 Ų | 93 | 50.7 Ų | 50.7 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56.2 | -43.6 | -179.3 | -26.6 | 35.6 | 0 | 0 | 0 | 113.1 | F118 Y124 | F118-P120 VanDerWaalsContact C-CD 3.47Å; P120-Y124 WeakPolarHBondContact O-CB 3.27Å; P120-Y124 PolarHBondContact O-N 3.42Å; P120-Y124 VanDerWaalsContact O-N 3.12Å |
| 121 | C | 89.3 | Confident | 83.9 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.8 | -46.9 | 178.4 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | F118 L119 T123 Y124 H125 H179 C180 | F118-C121 PolarHBondContact O-N 3.38Å; F118-C121 VanDerWaalsContact O-N 3.09Å; L119-C121 VanDerWaalsContact C-N 3.29Å; L119-C121 PolarHBondContact O-N 2.88Å; C121-T123 VanDerWaalsContact C-N 3.31Å; C121-T123 PolarHBondContact O-N 3.05Å; C121-Y124 PolarHBondContact O-N 2.96Å; C121-H125 PolarHBondContact O-N 3.42Å; C121-H179 PolarHBondContact SG-O 3.35Å; C121-C180 HydrophobicContact CB-CB 4.01Å; C121-C180 WeakPolarHBondContact CB-SG 3.1Å; C121-C180 PolarHBondContact O-SG 3.3Å; C121-C180 VanDerWaalsContact O-SG 3.37Å; C121-C180 WeakPolarHBondContact SG-CA 3.28Å; C121-C180 WeakPolarHBondContact SG-CB 3.31Å; C121-C180 CovalentContact SG-SG 2.04Å; C121-C180 PolarHBondContact SG-SG 3.47Å |
| 122 | L | 86.4 | Confident | 83.7 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | -178.3 | -63.4 | 171.9 | 0 | 0 | 0 | 111.5 | I60 L115 F118 L119 H125 S126 M129 C180 A183 F187 | I60-L122 HydrophobicContact CD1-CB 3.63Å; I60-L122 HydrophobicContact CD1-CD1 3.75Å; I60-L122 HydrophobicContact CD1-CG 4.31Å; I60-L122 HydrophobicContact CG2-CB 3.98Å; I60-L122 VanDerWaalsContact CG2-O 3.3Å; I60-L122 WeakPolarHBondContact CG2-O 3.49Å; L115-L122 HydrophobicContact CD2-CD1 4.27Å; F118-L122 HydrophobicContact CB-CD1 3.75Å; F118-L122 HydrophobicContact CB-CG 4.14Å; F118-L122 WeakPolarHBondContact O-CG 3.29Å; F118-L122 PolarHBondContact O-N 2.04Å; L119-L122 PolarHBondContact O-N 2.88Å; L122-H125 CarbonylContact O-C 3.58Å; L122-S126 VanDerWaalsContact O-CA 3.23Å; L122-S126 WeakPolarHBondContact O-CA 3.39Å; L122-S126 VanDerWaalsContact O-CB 3.27Å; L122-S126 WeakPolarHBondContact O-CB 3.25Å; L122-S126 PolarHBondContact O-N 2.96Å; L122-M129 HydrophobicContact CD2-CE 3.75Å; L122-M129 HydrophobicContact CD2-SD 3.8Å; L122-C180 HydrophobicContact CD2-CB 4.1Å; L122-A183 HydrophobicContact CD2-CB 4.29Å; L122-F187 HydrophobicContact CD1-CE2 3.84Å; L122-F187 HydrophobicContact CD1-CZ 3.98Å; L122-F187 HydrophobicContact CD2-CE2 3.78Å; L122-F187 HydrophobicContact CD2-CZ 4.29Å; L122-F187 HydrophobicContact CG-CE2 4.48Å |
| 123 | T | 83.7 | Confident | 83.6 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 23% | 0.233 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -48.9 | 175 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | I60 P63 L119 C121 H125 S126 | I60-T123 VanDerWaalsContact CG2-N 3.27Å; I60-T123 WeakPolarHBondContact CG2-OG1 3.31Å; I60-T123 PolarHBondContact O-OG1 3.21Å; P63-T123 HydrophobicContact CB-CG2 3.95Å; L119-T123 VanDerWaalsContact O-CB 3.29Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 2.96Å; L119-T123 PolarHBondContact O-OG1 3.42Å; L119-T123 VanDerWaalsContact O-OG1 3.08Å; C121-T123 VanDerWaalsContact C-N 3.31Å; C121-T123 PolarHBondContact O-N 3.05Å; T123-H125 VanDerWaalsContact C-N 3.31Å; T123-H125 PolarHBondContact O-N 3.34Å; T123-S126 WeakPolarHBondContact O-CB 3.48Å; T123-S126 PolarHBondContact O-N 3.48Å; T123-S126 PolarHBondContact O-OG 3.27Å |
| 124 | Y | 85.6 | Confident | 83.3 | Confident | 186 Ų | 186 | 50.8 Ų | 50.8 | 73% | 0.729 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.8 | -38 | -179.5 | -174.4 | -101.9 | 0 | 0 | 0 | 112.9 | P120 C121 | P120-Y124 WeakPolarHBondContact O-CB 3.27Å; P120-Y124 PolarHBondContact O-N 3.42Å; P120-Y124 VanDerWaalsContact O-N 3.12Å; C121-Y124 PolarHBondContact O-N 2.96Å |
| 125 | H | 87.8 | Confident | 83.2 | Confident | 52 Ų | 52 | 53 Ų | 53 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 12.4 | -179.4 | -68.4 | -62 | 0 | 0 | 0 | 114.3 | C121 L122 T123 A127 A128 M129 H179 | C121-H125 PolarHBondContact O-N 3.42Å; L122-H125 CarbonylContact O-C 3.58Å; T123-H125 VanDerWaalsContact C-N 3.31Å; T123-H125 PolarHBondContact O-N 3.34Å; H125-A127 PolarHBondContact O-N 2.86Å; H125-A128 PolarHBondContact O-N 2.93Å; H125-M129 HydrophobicContact CB-CE 3.62Å; H125-M129 WeakPolarHBondContact O-CG 3.31Å; H125-M129 PolarHBondContact O-N 3.14Å; H125-H179 HydrophobicContact CB-CB 3.84Å; H125-H179 AromaticContact CE1-ND1 3.96Å; H125-H179 AromaticContact ND1-ND1 3.75Å |
| 126 | S | 80.9 | Confident | 83 | Confident | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.8 | -43.5 | -173.1 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | L122 T123 M129 T130 | L122-S126 VanDerWaalsContact O-CA 3.23Å; L122-S126 WeakPolarHBondContact O-CA 3.39Å; L122-S126 VanDerWaalsContact O-CB 3.27Å; L122-S126 WeakPolarHBondContact O-CB 3.25Å; L122-S126 PolarHBondContact O-N 2.96Å; T123-S126 WeakPolarHBondContact O-CB 3.48Å; T123-S126 PolarHBondContact O-N 3.48Å; T123-S126 PolarHBondContact O-OG 3.27Å; S126-M129 PolarHBondContact O-N 2.97Å; S126-T130 WeakPolarHBondContact O-CB 3.03Å; S126-T130 PolarHBondContact O-N 2.86Å; S126-T130 PolarHBondContact O-OG1 3.36Å |
| 127 | A | 78.5 | Confident | 82.5 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.6 | -53.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | H125 M129 T130 D131 | H125-A127 PolarHBondContact O-N 2.86Å; A127-M129 VanDerWaalsContact C-N 3.3Å; A127-M129 PolarHBondContact O-N 2.9Å; A127-T130 PolarHBondContact O-N 3.36Å; A127-D131 WeakPolarHBondContact O-CB 3.06Å; A127-D131 PolarHBondContact O-N 2.95Å |
| 128 | A | 80.8 | Confident | 82 | Confident | 30 Ų | 30 | 52 Ų | 52 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H125 T130 D132 | H125-A128 PolarHBondContact O-N 2.93Å; A128-T130 VanDerWaalsContact C-N 3.29Å; A128-T130 PolarHBondContact O-N 3.32Å; A128-D132 VanDerWaalsContact O-CB 3.31Å; A128-D132 WeakPolarHBondContact O-CB 3.4Å; A128-D132 VanDerWaalsContact O-CG 3.31Å; A128-D132 PolarHBondContact O-N 3.17Å |
| 129 | M | 77.3 | Confident | 81.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -28.2 | 177.6 | -66.5 | 179 | -164.2 | 0 | 0 | 113.9 | L57 L122 H125 S126 A127 F172 T175 V176 H179 C180 | L57-M129 HydrophobicContact CD2-CB 3.97Å; L122-M129 HydrophobicContact CD2-CE 3.75Å; L122-M129 HydrophobicContact CD2-SD 3.8Å; H125-M129 HydrophobicContact CB-CE 3.62Å; H125-M129 WeakPolarHBondContact O-CG 3.31Å; H125-M129 PolarHBondContact O-N 3.14Å; S126-M129 PolarHBondContact O-N 2.97Å; A127-M129 VanDerWaalsContact C-N 3.3Å; A127-M129 PolarHBondContact O-N 2.9Å; M129-F172 HydrophobicContact CB-CE2 4.03Å; M129-T175 HydrophobicContact CB-CG2 4.37Å; M129-T175 HydrophobicContact CG-CG2 4.06Å; M129-V176 HydrophobicContact SD-CG2 3.95Å; M129-H179 HydrophobicContact CE-CB 3.95Å; M129-C180 HydrophobicContact CE-CB 3.99Å; M129-C180 WeakPolarHBondContact CE-SG 3.26Å |
| 130 | T | 72.8 | Confident | 81.1 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -88.2 | -42.8 | -177.7 | -42.1 | 0 | 0 | 0 | 0 | 110.6 | L57 S126 A127 A128 S134 | L57-T130 HydrophobicContact CD1-CG2 4.41Å; S126-T130 WeakPolarHBondContact O-CB 3.03Å; S126-T130 PolarHBondContact O-N 2.86Å; S126-T130 PolarHBondContact O-OG1 3.36Å; A127-T130 PolarHBondContact O-N 3.36Å; A128-T130 VanDerWaalsContact C-N 3.29Å; A128-T130 PolarHBondContact O-N 3.32Å; T130-S134 WeakPolarHBondContact O-CA 3.43Å; T130-S134 WeakPolarHBondContact O-CB 3.4Å; T130-S134 PolarHBondContact O-N 3.39Å |
| 131 | D | 80.3 | Confident | 80.3 | Confident | 106 Ų | 106 | 50.3 Ų | 50.3 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -69.7 | -47.1 | -174.9 | -64.5 | -18 | 0 | 0 | 0 | 111.3 | A127 C133 S134 | A127-D131 WeakPolarHBondContact O-CB 3.06Å; A127-D131 PolarHBondContact O-N 2.95Å; D131-C133 PolarHBondContact O-N 2.83Å; D131-S134 PolarHBondContact O-N 3.3Å; D131-S134 PolarHBondContact O-OG 3.25Å |
| 132 | D | 82.4 | Confident | 79.6 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27 | -178.7 | -81.4 | 7.8 | 0 | 0 | 0 | 113.2 | A128 C171 T175 R178 | A128-D132 VanDerWaalsContact O-CB 3.31Å; A128-D132 WeakPolarHBondContact O-CB 3.4Å; A128-D132 VanDerWaalsContact O-CG 3.31Å; A128-D132 PolarHBondContact O-N 3.17Å; D132-C171 PolarHBondContact O-SG 3.22Å; D132-C171 VanDerWaalsContact O-SG 3.36Å; D132-T175 HydrophobicContact CB-CG2 4.26Å; D132-R178 IonicContact OD2-CZ 2.8Å; D132-R178 IonicContact OD2-NH1 3.37Å; D132-R178 PolarHBondContact OD2-NH1 2.97Å |
| 133 | C | 82.9 | Confident | 79 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 5.4 | -172.3 | -53.4 | 0 | 0 | 0 | 0 | 114 | D131 D135 F136 L137 F168 C171 F172 | D131-C133 PolarHBondContact O-N 2.83Å; C133-D135 PolarHBondContact O-N 3.45Å; C133-F136 PolarHBondContact O-N 2.83Å; C133-L137 PolarHBondContact O-N 3.38Å; C133-F168 HydrophobicContact CB-CD2 4.13Å; C133-F168 HydrophobicContact CB-CE2 4.2Å; C133-C171 WeakPolarHBondContact CA-SG 3.28Å; C133-C171 HydrophobicContact CB-CB 3.87Å; C133-C171 WeakPolarHBondContact CB-SG 3.46Å; C133-C171 WeakPolarHBondContact SG-CB 3.24Å; C133-C171 PolarHBondContact SG-O 3.06Å; C133-C171 CovalentContact SG-SG 2.04Å; C133-C171 PolarHBondContact SG-SG 3.07Å; C133-F172 PolarHBondContact SG-N 3Å; C133-F172 VanDerWaalsContact SG-N 3.35Å |
| 134 | S | 80.1 | Confident | 78.2 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | -174.6 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | T130 D131 F136 L137 D138 | T130-S134 WeakPolarHBondContact O-CA 3.43Å; T130-S134 WeakPolarHBondContact O-CB 3.4Å; T130-S134 PolarHBondContact O-N 3.39Å; D131-S134 PolarHBondContact O-N 3.3Å; D131-S134 PolarHBondContact O-OG 3.25Å; S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 2.84Å; S134-L137 WeakPolarHBondContact O-CA 3.01Å; S134-L137 VanDerWaalsContact O-CB 3.31Å; S134-L137 WeakPolarHBondContact O-CB 3.43Å; S134-L137 PolarHBondContact O-N 3.02Å; S134-D138 PolarHBondContact O-N 3.31Å |
| 135 | D | 82.7 | Confident | 77.4 | Confident | 119 Ų | 119 | 45.3 Ų | 45.3 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -55.5 | -42.9 | 178.9 | -71.5 | -20.3 | 0 | 0 | 0 | 112.7 | C133 L137 D138 L139 | C133-D135 PolarHBondContact O-N 3.45Å; D135-L137 VanDerWaalsContact C-N 3.34Å; D135-D138 PolarHBondContact O-N 2.94Å; D135-L139 WeakPolarHBondContact O-CB 3.23Å; D135-L139 VanDerWaalsContact O-CG 3.28Å; D135-L139 WeakPolarHBondContact O-CG 3.48Å; D135-L139 PolarHBondContact O-N 2.89Å |
| 136 | F | 81.1 | Confident | 76.5 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.2 | -36.2 | 178.8 | -59.6 | -58.1 | 0 | 0 | 0 | 111.9 | C133 S134 D138 M140 Q167 F168 C171 | C133-F136 PolarHBondContact O-N 2.83Å; S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 2.84Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-M140 VanDerWaalsContact O-CB 3.27Å; F136-M140 WeakPolarHBondContact O-CB 3.33Å; F136-M140 PolarHBondContact O-N 3.44Å; F136-Q167 HydrophobicContact CB-CB 4.49Å; F136-Q167 HydrophobicContact CD1-CB 3.63Å; F136-Q167 HydrophobicContact CD1-CG 4.43Å; F136-Q167 HydrophobicContact CE1-CB 3.93Å; F136-Q167 HydrophobicContact CE1-CG 4.35Å; F136-Q167 HydrophobicContact CG-CB 3.97Å; F136-Q167 HydrophobicContact CZ-CB 4.5Å; F136-F168 HydrophobicContact CB-CB 3.78Å; F136-F168 HydrophobicContact CB-CD2 4.48Å; F136-C171 HydrophobicContact CD2-CB 3.97Å; F136-C171 HydrophobicContact CE2-CB 4.1Å |
| 137 | L | 73.8 | Confident | 75.9 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 176.8 | -175.8 | 58.2 | 0 | 0 | 0 | 111.6 | R54 C133 S134 D135 M140 S141 F168 | R54-L137 HydrophobicContact CB-CD1 4.41Å; R54-L137 HydrophobicContact CB-CD2 4.26Å; R54-L137 HydrophobicContact CG-CD2 3.89Å; C133-L137 PolarHBondContact O-N 3.38Å; S134-L137 WeakPolarHBondContact O-CA 3.01Å; S134-L137 VanDerWaalsContact O-CB 3.31Å; S134-L137 WeakPolarHBondContact O-CB 3.43Å; S134-L137 PolarHBondContact O-N 3.02Å; D135-L137 VanDerWaalsContact C-N 3.34Å; L137-M140 HydrophobicContact CD1-CE 3.58Å; L137-S141 VanDerWaalsContact O-CB 3.29Å; L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.01Å; L137-S141 PolarHBondContact O-OG 3.49Å; L137-F168 HydrophobicContact CB-CD2 3.76Å; L137-F168 HydrophobicContact CB-CE2 3.82Å; L137-F168 HydrophobicContact CD1-CD2 4.27Å; L137-F168 HydrophobicContact CD1-CE1 4.31Å; L137-F168 HydrophobicContact CD1-CE2 3.99Å; L137-F168 HydrophobicContact CD1-CZ 4.02Å; L137-F168 HydrophobicContact CD2-CE2 4.1Å; L137-F168 HydrophobicContact CD2-CZ 4.44Å; L137-F168 HydrophobicContact CG-CE2 4.2Å |
| 138 | D | 77.7 | Confident | 75.3 | Confident | 81 Ų | 81 | 45.4 Ų | 45.4 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -74 | -39.6 | 178.1 | -73.6 | -15.2 | 0 | 0 | 0 | 111.8 | R54 S134 D135 F136 M140 S141 A142 | R54-D138 IonicContact NH2-OD1 2.74Å; S134-D138 PolarHBondContact O-N 3.31Å; D135-D138 PolarHBondContact O-N 2.94Å; F136-D138 VanDerWaalsContact C-N 3.34Å; D138-M140 VanDerWaalsContact C-N 3.34Å; D138-M140 PolarHBondContact O-N 3.38Å; D138-S141 WeakPolarHBondContact O-CB 3.17Å; D138-S141 PolarHBondContact O-N 3.05Å; D138-A142 WeakPolarHBondContact O-CB 3.36Å; D138-A142 PolarHBondContact O-N 3.03Å |
| 139 | L | 78.7 | Confident | 74.6 | Confident | 95 Ų | 95 | 47.9 Ų | 47.9 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 171 | -78.3 | 166.1 | 0 | 0 | 0 | 112.3 | D135 S141 A142 S143 | D135-L139 WeakPolarHBondContact O-CB 3.23Å; D135-L139 VanDerWaalsContact O-CG 3.28Å; D135-L139 WeakPolarHBondContact O-CG 3.48Å; D135-L139 PolarHBondContact O-N 2.89Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-A142 PolarHBondContact O-N 3.05Å; L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 3.24Å; L139-S143 PolarHBondContact O-OG 2.83Å |
| 140 | M | 74 | Confident | 73.9 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.7 | -175.9 | -170.9 | 82.4 | 0 | 0 | 110.8 | T51 F136 L137 D138 S143 V144 S164 Q165 L262 | T51-M140 HydrophobicContact CG2-CE 3.45Å; T51-M140 VanDerWaalsContact CG2-CE 3.45Å; T51-M140 HydrophobicContact CG2-SD 4.19Å; F136-M140 VanDerWaalsContact O-CB 3.27Å; F136-M140 WeakPolarHBondContact O-CB 3.33Å; F136-M140 PolarHBondContact O-N 3.44Å; L137-M140 HydrophobicContact CD1-CE 3.58Å; D138-M140 VanDerWaalsContact C-N 3.34Å; D138-M140 PolarHBondContact O-N 3.38Å; M140-S143 PolarHBondContact O-N 3.13Å; M140-V144 WeakPolarHBondContact O-CG2 3.33Å; M140-V144 PolarHBondContact O-N 3.27Å; M140-V144 VanDerWaalsContact O-N 3.08Å; M140-S164 VanDerWaalsContact CA-OG 3.25Å; M140-S164 WeakPolarHBondContact CA-OG 3.44Å; M140-S164 WeakPolarHBondContact CB-OG 3.11Å; M140-Q165 HydrophobicContact SD-CB 4.42Å; M140-Q165 PolarHBondContact SD-OE1 2.98Å; M140-L262 HydrophobicContact CE-CD1 4.2Å |
| 141 | S | 70.3 | Confident | 73.3 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.5 | -51.8 | 176.9 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | R54 L137 D138 L139 S143 V144 R145 H261 | R54-S141 PolarHBondContact NH1-OG 2.82Å; L137-S141 VanDerWaalsContact O-CB 3.29Å; L137-S141 WeakPolarHBondContact O-CB 3.23Å; L137-S141 PolarHBondContact O-N 3.01Å; L137-S141 PolarHBondContact O-OG 3.49Å; D138-S141 WeakPolarHBondContact O-CB 3.17Å; D138-S141 PolarHBondContact O-N 3.05Å; L139-S141 VanDerWaalsContact C-N 3.33Å; S141-S143 VanDerWaalsContact C-N 3.34Å; S141-S143 PolarHBondContact O-N 3.45Å; S141-V144 PolarHBondContact O-N 3.06Å; S141-R145 PolarHBondContact O-N 3.29Å; S141-H261 VanDerWaalsContact C-CD2 3.46Å; S141-H261 WeakPolarHBondContact CA-CD2 3.1Å; S141-H261 VanDerWaalsContact CA-CG 3.47Å; S141-H261 WeakPolarHBondContact CB-CD2 3.43Å; S141-H261 PolarHBondContact O-CD2 3.42Å; S141-H261 PolarHBondContact O-CE1 3.42Å; S141-H261 PolarHBondContact O-ND1 2.95Å; S141-H261 PolarHBondContact O-NE2 3.47Å |
| 142 | A | 73.1 | Confident | 72.7 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | D138 L139 V144 R145 D146 | D138-A142 WeakPolarHBondContact O-CB 3.36Å; D138-A142 PolarHBondContact O-N 3.03Å; L139-A142 PolarHBondContact O-N 3.05Å; A142-V144 VanDerWaalsContact C-N 3.3Å; A142-V144 PolarHBondContact O-N 3.03Å; A142-R145 WeakPolarHBondContact O-CA 3.3Å; A142-R145 WeakPolarHBondContact O-CB 3.37Å; A142-R145 PolarHBondContact O-N 3.31Å; A142-D146 PolarHBondContact O-N 3.02Å |
| 143 | S | 73.7 | Confident | 72 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | -177.6 | -59.1 | 0 | 0 | 0 | 0 | 113 | L139 M140 S141 L147 | L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 3.24Å; L139-S143 PolarHBondContact O-OG 2.83Å; M140-S143 PolarHBondContact O-N 3.13Å; S141-S143 VanDerWaalsContact C-N 3.34Å; S141-S143 PolarHBondContact O-N 3.45Å; S143-L147 PolarHBondContact O-N 2.95Å; S143-L147 VanDerWaalsContact O-N 3.17Å |
| 144 | V | 68.6 | Low | 71.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73 | -34 | 174.5 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | M140 S141 A142 D146 L147 L148 I161 H261 L265 | M140-V144 WeakPolarHBondContact O-CG2 3.33Å; M140-V144 PolarHBondContact O-N 3.27Å; M140-V144 VanDerWaalsContact O-N 3.08Å; S141-V144 PolarHBondContact O-N 3.06Å; A142-V144 VanDerWaalsContact C-N 3.3Å; A142-V144 PolarHBondContact O-N 3.03Å; V144-D146 VanDerWaalsContact C-N 3.33Å; V144-L147 WeakPolarHBondContact O-CB 3.45Å; V144-L147 PolarHBondContact O-N 2.82Å; V144-L148 HydrophobicContact CG1-CD1 4.19Å; V144-L148 WeakPolarHBondContact O-CD1 3.37Å; V144-L148 VanDerWaalsContact O-CG 3.26Å; V144-L148 WeakPolarHBondContact O-CG 3.4Å; V144-L148 PolarHBondContact O-N 2.71Å; V144-L148 VanDerWaalsContact O-N 3.13Å; V144-I161 HydrophobicContact CG2-CD1 4.08Å; V144-I161 HydrophobicContact CG2-CG1 3.95Å; V144-I161 HydrophobicContact CG2-CG2 4.36Å; V144-H261 HydrophobicContact CB-CB 3.59Å; V144-H261 WeakPolarHBondContact CB-ND1 3.3Å; V144-H261 HydrophobicContact CG1-CB 3.58Å; V144-H261 WeakPolarHBondContact CG1-ND1 3.42Å; V144-H261 WeakPolarHBondContact CG1-O 3.4Å; V144-H261 HydrophobicContact CG2-CB 4.05Å; V144-L265 HydrophobicContact CB-CG 4.32Å; V144-L265 HydrophobicContact CG1-CD1 4.48Å; V144-L265 HydrophobicContact CG1-CD2 4.13Å; V144-L265 HydrophobicContact CG1-CG 3.7Å; V144-L265 HydrophobicContact CG2-CD1 3.57Å; V144-L265 HydrophobicContact CG2-CD2 4.04Å; V144-L265 HydrophobicContact CG2-CG 3.66Å |
| 145 | R | 67.5 | Low | 71.6 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 172.2 | -161.8 | 179.4 | -58.7 | -167 | 4.8 | 111.5 | S141 A142 L147 L148 S149 H261 | S141-R145 PolarHBondContact O-N 3.29Å; A142-R145 WeakPolarHBondContact O-CA 3.3Å; A142-R145 WeakPolarHBondContact O-CB 3.37Å; A142-R145 PolarHBondContact O-N 3.31Å; R145-L147 VanDerWaalsContact C-N 3.27Å; R145-L147 PolarHBondContact O-N 3.46Å; R145-L148 WeakPolarHBondContact O-CB 3.23Å; R145-L148 PolarHBondContact O-N 2.92Å; R145-L148 VanDerWaalsContact O-N 3.14Å; R145-S149 PolarHBondContact O-N 3.07Å; R145-H261 VanDerWaalsContact CB-CE1 3.48Å; R145-H261 WeakPolarHBondContact CB-CE1 3.33Å; R145-H261 PolarHBondContact N-CE1 2.87Å; R145-H261 PolarHBondContact N-ND1 3.4Å |
| 146 | D | 70.2 | Confident | 71.5 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | -179.4 | -67.8 | -8.9 | 0 | 0 | 0 | 109.7 | A142 V144 L148 S149 V150 | A142-D146 PolarHBondContact O-N 3.02Å; V144-D146 VanDerWaalsContact C-N 3.33Å; D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 2.65Å; D146-S149 WeakPolarHBondContact CA-OG 3.35Å; D146-S149 PolarHBondContact O-N 3Å; D146-S149 VanDerWaalsContact O-N 3.09Å; D146-S149 PolarHBondContact O-OG 3.23Å; D146-V150 VanDerWaalsContact O-CG2 3.32Å; D146-V150 WeakPolarHBondContact O-CG2 3.3Å; D146-V150 PolarHBondContact O-N 2.92Å |
| 147 | L | 67.9 | Low | 71.4 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.9 | -45.1 | 175.8 | -178 | 75.1 | 0 | 0 | 0 | 112.7 | S143 V144 R145 S149 A153 I161 W202 L265 | S143-L147 PolarHBondContact O-N 2.95Å; S143-L147 VanDerWaalsContact O-N 3.17Å; V144-L147 WeakPolarHBondContact O-CB 3.45Å; V144-L147 PolarHBondContact O-N 2.82Å; R145-L147 VanDerWaalsContact C-N 3.27Å; R145-L147 PolarHBondContact O-N 3.46Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-S149 PolarHBondContact O-N 3.45Å; L147-A153 HydrophobicContact CD1-CB 3.52Å; L147-I161 HydrophobicContact CB-CD1 4.19Å; L147-I161 HydrophobicContact CD2-CD1 3.88Å; L147-W202 HydrophobicContact CD1-CH2 4.3Å; L147-W202 HydrophobicContact CD2-CH2 3.71Å; L147-W202 HydrophobicContact CD2-CZ2 4.48Å; L147-L265 HydrophobicContact CD2-CD2 3.17Å |
| 148 | L | 65.5 | Low | 71.7 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -35 | 178.7 | -69.4 | 160.4 | 0 | 0 | 0 | 112.9 | V144 R145 D146 L264 | V144-L148 HydrophobicContact CG1-CD1 4.19Å; V144-L148 WeakPolarHBondContact O-CD1 3.37Å; V144-L148 VanDerWaalsContact O-CG 3.26Å; V144-L148 WeakPolarHBondContact O-CG 3.4Å; V144-L148 PolarHBondContact O-N 2.71Å; V144-L148 VanDerWaalsContact O-N 3.13Å; R145-L148 WeakPolarHBondContact O-CB 3.23Å; R145-L148 PolarHBondContact O-N 2.92Å; R145-L148 VanDerWaalsContact O-N 3.14Å; D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 2.65Å; L148-L264 HydrophobicContact CD1-CB 3.43Å; L148-L264 VanDerWaalsContact CD1-CB 3.43Å; L148-L264 HydrophobicContact CD1-CD1 3.58Å; L148-L264 HydrophobicContact CD1-CD2 3.96Å; L148-L264 HydrophobicContact CD1-CG 3.84Å; L148-L264 HydrophobicContact CD2-CB 4.06Å; L148-L264 HydrophobicContact CD2-CD2 4.04Å; L148-L264 VanDerWaalsContact CD2-O 3.31Å; L148-L264 WeakPolarHBondContact CD2-O 3.3Å; L148-L264 HydrophobicContact CG-CB 4.25Å |
| 149 | S | 66.5 | Low | 72 | Confident | 83 Ų | 83 | 57 Ų | 57 | 58% | 0.58 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -76.1 | -36.7 | -176.9 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | R145 D146 L147 R151 | R145-S149 PolarHBondContact O-N 3.07Å; D146-S149 WeakPolarHBondContact CA-OG 3.35Å; D146-S149 PolarHBondContact O-N 3Å; D146-S149 VanDerWaalsContact O-N 3.09Å; D146-S149 PolarHBondContact O-OG 3.23Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-S149 PolarHBondContact O-N 3.45Å; S149-R151 VanDerWaalsContact C-N 3.26Å; S149-R151 PolarHBondContact O-N 3.21Å |
| 150 | V | 62.7 | Low | 72.4 | Confident | 91 Ų | 91 | 58 Ų | 58 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -81.8 | -3.6 | -171.7 | 178.8 | 0 | 0 | 0 | 0 | 112.8 | D146 L152 | D146-V150 VanDerWaalsContact O-CG2 3.32Å; D146-V150 WeakPolarHBondContact O-CG2 3.3Å; D146-V150 PolarHBondContact O-N 2.92Å; V150-L152 PolarHBondContact O-N 3.41Å |
| 151 | R | 60.3 | Low | 72.8 | Confident | 161 Ų | 161 | 57.9 Ų | 57.9 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 56.1 | 6.7 | -178.1 | -69.5 | -167.3 | -173.1 | 177.3 | 2.2 | 116.2 | S149 L272 | S149-R151 VanDerWaalsContact C-N 3.26Å; S149-R151 PolarHBondContact O-N 3.21Å; R151-L272 HydrophobicContact CB-CD2 4.09Å; R151-L272 WeakPolarHBondContact O-CD2 3.43Å |
| 152 | L | 66 | Low | 73.5 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 62% | 0.618 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -147.5 | 130.6 | 177.7 | -74.9 | 170 | 0 | 0 | 0 | 110.4 | V150 T154 | V150-L152 PolarHBondContact O-N 3.41Å; L152-T154 PolarHBondContact O-N 2.91Å |
| 153 | A | 69.2 | Low | 74.2 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | trans | -74.6 | 111.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L147 M158 W202 Y205 | L147-A153 HydrophobicContact CD1-CB 3.52Å; A153-M158 HydrophobicContact CB-CE 4.36Å; A153-W202 HydrophobicContact CB-CH2 4.31Å; A153-W202 HydrophobicContact CB-CZ3 3.82Å; A153-Y205 HydrophobicContact CB-CD1 4.22Å; A153-Y205 HydrophobicContact CB-CE1 3.42Å; A153-Y205 VanDerWaalsContact CB-CE1 3.42Å | ||
| 154 | T | 74.1 | Confident | 74.7 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | trans | -90 | 154.1 | 171.3 | 67.4 | 0 | 0 | 0 | 0 | 110.4 | L152 N156 S157 M158 | L152-T154 PolarHBondContact O-N 2.91Å; T154-N156 PolarHBondContact O-N 3.24Å; T154-N156 VanDerWaalsContact O-N 3.11Å; T154-S157 PolarHBondContact N-OG 2.62Å; T154-S157 PolarHBondContact O-N 3.33Å; T154-S157 PolarHBondContact O-OG 3.15Å; T154-S157 PolarHBondContact OG1-N 3.49Å; T154-S157 PolarHBondContact OG1-OG 2.94Å; T154-S157 VanDerWaalsContact OG1-OG 3.07Å; T154-M158 WeakPolarHBondContact O-CE 3.48Å; T154-M158 PolarHBondContact O-N 3.48Å | ||
| 155 | P | 79.3 | Confident | 75.4 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -51 | -34.2 | 169.8 | -29.3 | 36.2 | 0 | 0 | 0 | 112.9 | R159 P214 | P155-R159 VanDerWaalsContact O-CB 3.28Å; P155-R159 WeakPolarHBondContact O-CB 3.26Å; P155-R159 PolarHBondContact O-N 2.81Å; P155-P214 HydrophobicContact CB-CG 4.45Å; P155-P214 WeakPolarHBondContact O-CG 3.39Å |
| 156 | N | 81.2 | Confident | 76.3 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.1 | -42.4 | 176.8 | -78.6 | -15.3 | 0 | 0 | 0 | 113 | T154 R159 K160 | T154-N156 PolarHBondContact O-N 3.24Å; T154-N156 VanDerWaalsContact O-N 3.11Å; N156-R159 PolarHBondContact O-N 3.37Å; N156-R159 PolarHBondContact OD1-NH1 2.97Å; N156-K160 WeakPolarHBondContact O-CG 3.43Å; N156-K160 PolarHBondContact O-N 3.25Å |
| 157 | S | 78.5 | Confident | 77.2 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.5 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | T154 K160 I161 | T154-S157 PolarHBondContact N-OG 2.62Å; T154-S157 PolarHBondContact O-N 3.33Å; T154-S157 PolarHBondContact O-OG 3.15Å; T154-S157 PolarHBondContact OG1-N 3.49Å; T154-S157 PolarHBondContact OG1-OG 2.94Å; T154-S157 VanDerWaalsContact OG1-OG 3.07Å; S157-K160 PolarHBondContact O-N 3.32Å; S157-I161 WeakPolarHBondContact O-CD1 3.36Å; S157-I161 VanDerWaalsContact O-CG1 3.29Å; S157-I161 WeakPolarHBondContact O-CG1 3.45Å; S157-I161 PolarHBondContact O-N 2.91Å |
| 158 | M | 80.6 | Confident | 78 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 174.5 | -72.5 | -175.7 | -96.2 | 0 | 0 | 111.5 | A153 T154 K160 I161 C162 W202 L206 P214 | A153-M158 HydrophobicContact CB-CE 4.36Å; T154-M158 WeakPolarHBondContact O-CE 3.48Å; T154-M158 PolarHBondContact O-N 3.48Å; M158-K160 VanDerWaalsContact C-N 3.33Å; M158-K160 PolarHBondContact O-N 3.31Å; M158-I161 PolarHBondContact O-N 3.17Å; M158-C162 WeakPolarHBondContact O-CB 3.44Å; M158-C162 PolarHBondContact O-N 2.92Å; M158-C162 PolarHBondContact O-SG 3.37Å; M158-W202 HydrophobicContact CB-CZ2 4.37Å; M158-W202 HydrophobicContact CG-CD2 3.86Å; M158-W202 HydrophobicContact CG-CE3 3.61Å; M158-W202 HydrophobicContact CG-CH2 3.51Å; M158-W202 HydrophobicContact CG-CZ2 3.74Å; M158-W202 HydrophobicContact CG-CZ3 3.44Å; M158-W202 VanDerWaalsContact CG-CZ3 3.44Å; M158-W202 HydrophobicContact SD-CD2 3.96Å; M158-W202 HydrophobicContact SD-CE3 3.5Å; M158-W202 HydrophobicContact SD-CH2 4.45Å; M158-W202 HydrophobicContact SD-CZ3 3.8Å; M158-L206 HydrophobicContact CE-CD1 4.13Å; M158-L206 HydrophobicContact CE-CD2 3.71Å; M158-L206 HydrophobicContact CE-CG 4.4Å; M158-L206 HydrophobicContact SD-CD1 3.76Å; M158-L206 HydrophobicContact SD-CD2 4.11Å; M158-L206 HydrophobicContact SD-CG 4.19Å; M158-P214 HydrophobicContact CB-CG 3.99Å |
| 159 | R | 84.9 | Confident | 78.9 | Confident | 96 Ų | 96 | 55 Ų | 55 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -54.1 | -49.1 | 175.5 | 178.2 | 179.4 | -55.1 | 130.5 | 6.5 | 111.8 | P155 N156 R163 P214 E216 | P155-R159 VanDerWaalsContact O-CB 3.28Å; P155-R159 WeakPolarHBondContact O-CB 3.26Å; P155-R159 PolarHBondContact O-N 2.81Å; N156-R159 PolarHBondContact O-N 3.37Å; N156-R159 PolarHBondContact OD1-NH1 2.97Å; R159-R163 WeakPolarHBondContact O-CB 3.36Å; R159-R163 PolarHBondContact O-N 3.4Å; R159-P214 HydrophobicContact CB-CB 4.07Å; R159-P214 HydrophobicContact CB-CG 4.34Å; R159-E216 WeakPolarHBondContact CD-OE1 3.24Å; R159-E216 HydrophobicContact CG-CB 4.31Å; R159-E216 HydrophobicContact CG-CG 3.88Å; R159-E216 WeakPolarHBondContact CG-OE2 3.48Å; R159-E216 IonicContact NE-OE1 3.28Å; R159-E216 IonicContact NE-OE2 3.21Å; R159-E216 PolarHBondContact NE-OE2 2.97Å |
| 160 | K | 85.6 | Confident | 79.9 | Confident | 117 Ų | 117 | 57.4 Ų | 57.4 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 179.6 | -75.2 | 179.5 | 178.5 | -175.7 | 0 | 110.8 | N156 S157 M158 R163 S164 | N156-K160 WeakPolarHBondContact O-CG 3.43Å; N156-K160 PolarHBondContact O-N 3.25Å; S157-K160 PolarHBondContact O-N 3.32Å; M158-K160 VanDerWaalsContact C-N 3.33Å; M158-K160 PolarHBondContact O-N 3.31Å; K160-R163 PolarHBondContact O-N 3.19Å; K160-S164 WeakPolarHBondContact O-CB 3.38Å; K160-S164 PolarHBondContact O-N 2.86Å; K160-S164 PolarHBondContact O-OG 3.49Å |
| 161 | I | 83.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -51.3 | -179.6 | -68 | 163.5 | 0 | 0 | 0 | 111.3 | V144 L147 S157 M158 R163 S164 Q165 L198 W202 L265 | V144-I161 HydrophobicContact CG2-CD1 4.08Å; V144-I161 HydrophobicContact CG2-CG1 3.95Å; V144-I161 HydrophobicContact CG2-CG2 4.36Å; L147-I161 HydrophobicContact CB-CD1 4.19Å; L147-I161 HydrophobicContact CD2-CD1 3.88Å; S157-I161 WeakPolarHBondContact O-CD1 3.36Å; S157-I161 VanDerWaalsContact O-CG1 3.29Å; S157-I161 WeakPolarHBondContact O-CG1 3.45Å; S157-I161 PolarHBondContact O-N 2.91Å; M158-I161 PolarHBondContact O-N 3.17Å; I161-R163 VanDerWaalsContact C-N 3.33Å; I161-R163 PolarHBondContact O-N 3.34Å; I161-S164 WeakPolarHBondContact CA-OG 3.43Å; I161-S164 PolarHBondContact O-N 2.92Å; I161-S164 PolarHBondContact O-OG 2.78Å; I161-Q165 VanDerWaalsContact O-CB 3.26Å; I161-Q165 WeakPolarHBondContact O-CB 3.35Å; I161-Q165 PolarHBondContact O-N 3.39Å; I161-L198 HydrophobicContact CG2-CD1 4.46Å; I161-L198 HydrophobicContact CG2-CD2 4.28Å; I161-W202 HydrophobicContact CD1-CH2 4.25Å; I161-W202 HydrophobicContact CD1-CZ2 3.85Å; I161-W202 HydrophobicContact CG2-CZ2 4.36Å; I161-L265 HydrophobicContact CD1-CD2 3.75Å; I161-L265 HydrophobicContact CG2-CD1 3.85Å |
| 162 | C | 85.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | -179.3 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | M158 D166 E216 C217 L220 | M158-C162 WeakPolarHBondContact O-CB 3.44Å; M158-C162 PolarHBondContact O-N 2.92Å; M158-C162 PolarHBondContact O-SG 3.37Å; C162-D166 WeakPolarHBondContact O-CB 3.36Å; C162-D166 PolarHBondContact O-N 2.93Å; C162-E216 HydrophobicContact CB-CB 4.38Å; C162-C217 HydrophobicContact CB-CB 3.88Å; C162-C217 WeakPolarHBondContact CB-SG 3.2Å; C162-C217 VanDerWaalsContact SG-CA 3.52Å; C162-C217 WeakPolarHBondContact SG-CB 3.13Å; C162-C217 CovalentContact SG-SG 2.04Å; C162-C217 PolarHBondContact SG-SG 3.37Å; C162-L220 HydrophobicContact CB-CD1 4.06Å |
| 163 | R | 88 | Confident | 83.6 | Confident | 140 Ų | 140 | 41.9 Ų | 41.9 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.8 | -47.3 | 177.5 | -177.4 | 177.5 | 178 | 174.3 | -0.4 | 111.8 | R159 K160 I161 Q165 D166 Q167 E216 | R159-R163 WeakPolarHBondContact O-CB 3.36Å; R159-R163 PolarHBondContact O-N 3.4Å; K160-R163 PolarHBondContact O-N 3.19Å; I161-R163 VanDerWaalsContact C-N 3.33Å; I161-R163 PolarHBondContact O-N 3.34Å; R163-Q165 VanDerWaalsContact C-N 3.35Å; R163-D166 PolarHBondContact O-N 3.5Å; R163-Q167 HydrophobicContact CG-CG 4.47Å; R163-Q167 WeakPolarHBondContact O-CB 3.45Å; R163-Q167 VanDerWaalsContact O-CG 3.26Å; R163-Q167 WeakPolarHBondContact O-CG 3.29Å; R163-Q167 PolarHBondContact O-N 2.77Å; R163-E216 HydrophobicContact CB-CB 4.5Å; R163-E216 HydrophobicContact CB-CG 4.46Å |
| 164 | S | 84.2 | Confident | 84.7 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | -179.8 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | M140 K160 I161 F168 | M140-S164 VanDerWaalsContact CA-OG 3.25Å; M140-S164 WeakPolarHBondContact CA-OG 3.44Å; M140-S164 WeakPolarHBondContact CB-OG 3.11Å; K160-S164 WeakPolarHBondContact O-CB 3.38Å; K160-S164 PolarHBondContact O-N 2.86Å; K160-S164 PolarHBondContact O-OG 3.49Å; I161-S164 WeakPolarHBondContact CA-OG 3.43Å; I161-S164 PolarHBondContact O-N 2.92Å; I161-S164 PolarHBondContact O-OG 2.78Å; S164-F168 VanDerWaalsContact O-CB 3.24Å; S164-F168 WeakPolarHBondContact O-CB 3.46Å; S164-F168 PolarHBondContact O-N 3Å |
| 165 | Q | 83.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -50.3 | 174.5 | -175.8 | 79.9 | 27 | 0 | 0 | 111 | M140 I161 R163 Q167 F168 E169 S194 L198 | M140-Q165 HydrophobicContact SD-CB 4.42Å; M140-Q165 PolarHBondContact SD-OE1 2.98Å; I161-Q165 VanDerWaalsContact O-CB 3.26Å; I161-Q165 WeakPolarHBondContact O-CB 3.35Å; I161-Q165 PolarHBondContact O-N 3.39Å; R163-Q165 VanDerWaalsContact C-N 3.35Å; Q165-Q167 VanDerWaalsContact C-N 3.34Å; Q165-Q167 PolarHBondContact O-N 3.21Å; Q165-F168 PolarHBondContact O-N 3.47Å; Q165-E169 PolarHBondContact NE2-OE1 3.16Å; Q165-E169 WeakPolarHBondContact O-CB 3.42Å; Q165-E169 WeakPolarHBondContact O-CG 3.29Å; Q165-E169 PolarHBondContact O-N 3.36Å; Q165-S194 PolarHBondContact NE2-OG 3.23Å; Q165-L198 HydrophobicContact CB-CD2 4.04Å; Q165-L198 HydrophobicContact CG-CD2 3.89Å |
| 166 | D | 85.5 | Confident | 86 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 8% | 0.08 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 179.4 | -177.1 | 49.8 | 0 | 0 | 0 | 111.4 | C162 R163 R170 R195 L220 | C162-D166 WeakPolarHBondContact O-CB 3.36Å; C162-D166 PolarHBondContact O-N 2.93Å; R163-D166 PolarHBondContact O-N 3.5Å; D166-R170 VanDerWaalsContact CG-NH2 3.32Å; D166-R170 WeakPolarHBondContact O-CB 3.18Å; D166-R170 WeakPolarHBondContact O-CG 3.13Å; D166-R170 PolarHBondContact O-N 2.85Å; D166-R170 IonicContact OD1-CZ 3.37Å; D166-R170 IonicContact OD1-NE 3.07Å; D166-R170 PolarHBondContact OD1-NE 3.42Å; D166-R170 IonicContact OD1-NH2 3.87Å; D166-R170 PolarHBondContact OD1-NH2 3.12Å; D166-R170 IonicContact OD2-CZ 3.02Å; D166-R170 IonicContact OD2-NE 3.35Å; D166-R170 PolarHBondContact OD2-NE 2.96Å; D166-R170 VanDerWaalsContact OD2-NE 3.1Å; D166-R170 IonicContact OD2-NH1 3.1Å; D166-R170 IonicContact OD2-NH2 3.5Å; D166-R170 PolarHBondContact OD2-NH2 2.96Å; D166-R195 IonicContact OD1-CZ 3.99Å; D166-R195 IonicContact OD1-NE 2.84Å; D166-R195 IonicContact OD1-NH1 3.7Å; D166-R195 PolarHBondContact OD1-NH1 2.91Å; D166-R195 IonicContact OD1-NH2 3.97Å; D166-L220 HydrophobicContact CB-CD2 3.84Å |
| 167 | Q | 88.5 | Confident | 86.6 | Confident | 59 Ų | 59 | 35 Ų | 35 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.4 | -73.9 | 176.9 | -24.2 | 0 | 0 | 112 | F136 R163 Q165 R170 C171 | F136-Q167 HydrophobicContact CB-CB 4.49Å; F136-Q167 HydrophobicContact CD1-CB 3.63Å; F136-Q167 HydrophobicContact CD1-CG 4.43Å; F136-Q167 HydrophobicContact CE1-CB 3.93Å; F136-Q167 HydrophobicContact CE1-CG 4.35Å; F136-Q167 HydrophobicContact CG-CB 3.97Å; F136-Q167 HydrophobicContact CZ-CB 4.5Å; R163-Q167 HydrophobicContact CG-CG 4.47Å; R163-Q167 WeakPolarHBondContact O-CB 3.45Å; R163-Q167 VanDerWaalsContact O-CG 3.26Å; R163-Q167 WeakPolarHBondContact O-CG 3.29Å; R163-Q167 PolarHBondContact O-N 2.77Å; Q165-Q167 VanDerWaalsContact C-N 3.34Å; Q165-Q167 PolarHBondContact O-N 3.21Å; Q167-R170 PolarHBondContact O-N 3.21Å; Q167-C171 VanDerWaalsContact O-CB 3.26Å; Q167-C171 WeakPolarHBondContact O-CB 3.16Å; Q167-C171 PolarHBondContact O-N 3.19Å |
| 168 | F | 84.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.6 | -52 | 177.5 | 170.5 | -107 | 0 | 0 | 0 | 111 | T51 I53 C133 F136 L137 S164 Q165 R170 C171 F172 | T51-F168 HydrophobicContact CG2-CE1 4.39Å; I53-F168 HydrophobicContact CB-CE1 4.1Å; I53-F168 HydrophobicContact CB-CZ 4.34Å; I53-F168 HydrophobicContact CD1-CE1 4.34Å; I53-F168 HydrophobicContact CG2-CE1 3.88Å; I53-F168 HydrophobicContact CG2-CZ 3.69Å; C133-F168 HydrophobicContact CB-CD2 4.13Å; C133-F168 HydrophobicContact CB-CE2 4.2Å; F136-F168 HydrophobicContact CB-CB 3.78Å; F136-F168 HydrophobicContact CB-CD2 4.48Å; L137-F168 HydrophobicContact CB-CD2 3.76Å; L137-F168 HydrophobicContact CB-CE2 3.82Å; L137-F168 HydrophobicContact CD1-CD2 4.27Å; L137-F168 HydrophobicContact CD1-CE1 4.31Å; L137-F168 HydrophobicContact CD1-CE2 3.99Å; L137-F168 HydrophobicContact CD1-CZ 4.02Å; L137-F168 HydrophobicContact CD2-CE2 4.1Å; L137-F168 HydrophobicContact CD2-CZ 4.44Å; L137-F168 HydrophobicContact CG-CE2 4.2Å; S164-F168 VanDerWaalsContact O-CB 3.24Å; S164-F168 WeakPolarHBondContact O-CB 3.46Å; S164-F168 PolarHBondContact O-N 3Å; Q165-F168 PolarHBondContact O-N 3.47Å; F168-R170 PolarHBondContact O-N 3.35Å; F168-C171 PolarHBondContact O-N 2.96Å; F168-F172 VanDerWaalsContact O-CB 3.27Å; F168-F172 WeakPolarHBondContact O-CB 3.47Å; F168-F172 PolarHBondContact O-N 3.3Å |
| 169 | E | 85 | Confident | 88 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.7 | -37.4 | -176.6 | -71.7 | -178.3 | 178.1 | 0 | 0 | 112.9 | I53 Q165 F172 V173 S191 S194 R195 | I53-E169 HydrophobicContact CD1-CG 4.27Å; Q165-E169 PolarHBondContact NE2-OE1 3.16Å; Q165-E169 WeakPolarHBondContact O-CB 3.42Å; Q165-E169 WeakPolarHBondContact O-CG 3.29Å; Q165-E169 PolarHBondContact O-N 3.36Å; E169-F172 PolarHBondContact O-N 2.99Å; E169-V173 WeakPolarHBondContact O-CB 3.2Å; E169-V173 VanDerWaalsContact O-CG2 3.26Å; E169-V173 WeakPolarHBondContact O-CG2 3.38Å; E169-V173 PolarHBondContact O-N 2.92Å; E169-S191 WeakPolarHBondContact CB-OG 3.32Å; E169-S191 WeakPolarHBondContact OE2-CB 3.27Å; E169-S191 PolarHBondContact OE2-OG 3.34Å; E169-S194 WeakPolarHBondContact OE1-CB 3.37Å; E169-S194 PolarHBondContact OE1-OG 2.04Å; E169-R195 WeakPolarHBondContact OE2-CD 3.38Å; E169-R195 WeakPolarHBondContact OE2-CG 3.47Å; E169-R195 IonicContact OE2-CZ 3.34Å; E169-R195 IonicContact OE2-NE 3.04Å; E169-R195 PolarHBondContact OE2-NE 2.89Å; E169-R195 IonicContact OE2-NH2 2.78Å |
| 170 | R | 88.4 | Confident | 88.4 | Confident | 135 Ų | 135 | 39.5 Ų | 39.5 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 173.8 | -74.6 | 179.6 | -162.2 | -160.1 | 6 | 111.3 | D166 Q167 F168 F172 S174 | D166-R170 VanDerWaalsContact CG-NH2 3.32Å; D166-R170 WeakPolarHBondContact O-CB 3.18Å; D166-R170 WeakPolarHBondContact O-CG 3.13Å; D166-R170 PolarHBondContact O-N 2.85Å; D166-R170 IonicContact OD1-CZ 3.37Å; D166-R170 IonicContact OD1-NE 3.07Å; D166-R170 PolarHBondContact OD1-NE 3.42Å; D166-R170 IonicContact OD1-NH2 3.87Å; D166-R170 PolarHBondContact OD1-NH2 3.12Å; D166-R170 IonicContact OD2-CZ 3.02Å; D166-R170 IonicContact OD2-NE 3.35Å; D166-R170 PolarHBondContact OD2-NE 2.96Å; D166-R170 VanDerWaalsContact OD2-NE 3.1Å; D166-R170 IonicContact OD2-NH1 3.1Å; D166-R170 IonicContact OD2-NH2 3.5Å; D166-R170 PolarHBondContact OD2-NH2 2.96Å; Q167-R170 PolarHBondContact O-N 3.21Å; F168-R170 PolarHBondContact O-N 3.35Å; R170-F172 VanDerWaalsContact C-N 3.3Å; R170-F172 PolarHBondContact O-N 3.46Å; R170-S174 VanDerWaalsContact O-CB 3.25Å; R170-S174 WeakPolarHBondContact O-CB 3.48Å; R170-S174 PolarHBondContact O-N 3.2Å |
| 171 | C | 89.6 | Confident | 88.7 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 17% | 0.169 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -48.8 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | D132 C133 F136 Q167 F168 S174 T175 | D132-C171 PolarHBondContact O-SG 3.22Å; D132-C171 VanDerWaalsContact O-SG 3.36Å; C133-C171 WeakPolarHBondContact CA-SG 3.28Å; C133-C171 HydrophobicContact CB-CB 3.87Å; C133-C171 WeakPolarHBondContact CB-SG 3.46Å; C133-C171 WeakPolarHBondContact SG-CB 3.24Å; C133-C171 PolarHBondContact SG-O 3.06Å; C133-C171 CovalentContact SG-SG 2.04Å; C133-C171 PolarHBondContact SG-SG 3.07Å; F136-C171 HydrophobicContact CD2-CB 3.97Å; F136-C171 HydrophobicContact CE2-CB 4.1Å; Q167-C171 VanDerWaalsContact O-CB 3.26Å; Q167-C171 WeakPolarHBondContact O-CB 3.16Å; Q167-C171 PolarHBondContact O-N 3.19Å; F168-C171 PolarHBondContact O-N 2.96Å; C171-S174 PolarHBondContact O-N 2.8Å; C171-T175 WeakPolarHBondContact O-CB 2.98Å; C171-T175 PolarHBondContact O-N 2.71Å; C171-T175 PolarHBondContact O-OG1 2.92Å |
| 172 | F | 87 | Confident | 89.2 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.6 | -51 | -177 | -173.3 | -97 | 0 | 0 | 0 | 111.9 | I53 L57 M129 C133 F168 E169 R170 S174 T175 V176 F187 | I53-F172 HydrophobicContact CD1-CD1 3.98Å; I53-F172 HydrophobicContact CG1-CD1 4.36Å; I53-F172 HydrophobicContact CG1-CE1 4.44Å; I53-F172 HydrophobicContact CG2-CD1 3.49Å; I53-F172 VanDerWaalsContact CG2-CD1 3.49Å; I53-F172 HydrophobicContact CG2-CD2 3.71Å; I53-F172 HydrophobicContact CG2-CE1 3.49Å; I53-F172 VanDerWaalsContact CG2-CE1 3.49Å; I53-F172 HydrophobicContact CG2-CE2 3.72Å; I53-F172 HydrophobicContact CG2-CG 3.6Å; I53-F172 HydrophobicContact CG2-CZ 3.6Å; L57-F172 HydrophobicContact CD1-CD2 3.98Å; L57-F172 HydrophobicContact CD1-CE2 3.46Å; L57-F172 VanDerWaalsContact CD1-CE2 3.46Å; L57-F172 HydrophobicContact CD1-CZ 4.23Å; L57-F172 HydrophobicContact CD2-CE2 3.42Å; L57-F172 VanDerWaalsContact CD2-CE2 3.42Å; L57-F172 HydrophobicContact CD2-CZ 3.81Å; L57-F172 HydrophobicContact CG-CE2 3.68Å; L57-F172 HydrophobicContact CG-CZ 4.04Å; M129-F172 HydrophobicContact CB-CE2 4.03Å; C133-F172 PolarHBondContact SG-N 3Å; C133-F172 VanDerWaalsContact SG-N 3.35Å; F168-F172 VanDerWaalsContact O-CB 3.27Å; F168-F172 WeakPolarHBondContact O-CB 3.47Å; F168-F172 PolarHBondContact O-N 3.3Å; E169-F172 PolarHBondContact O-N 2.99Å; R170-F172 VanDerWaalsContact C-N 3.3Å; R170-F172 PolarHBondContact O-N 3.46Å; F172-S174 VanDerWaalsContact C-N 3.3Å; F172-S174 PolarHBondContact O-N 3.08Å; F172-T175 PolarHBondContact O-N 3.38Å; F172-T175 VanDerWaalsContact O-N 3.13Å; F172-V176 HydrophobicContact CD1-CG2 4.05Å; F172-V176 HydrophobicContact CE1-CG2 3.5Å; F172-V176 VanDerWaalsContact CE1-CG2 3.5Å; F172-V176 HydrophobicContact CE2-CG2 4.36Å; F172-V176 HydrophobicContact CZ-CG2 3.69Å; F172-V176 WeakPolarHBondContact O-CG2 3.49Å; F172-V176 PolarHBondContact O-N 3.31Å; F172-F187 HydrophobicContact CD1-CD1 4.23Å; F172-F187 HydrophobicContact CE1-CB 4.44Å; F172-F187 AromaticContact CE1-CD1 3.45Å; F172-F187 HydrophobicContact CE1-CD1 3.45Å; F172-F187 VanDerWaalsContact CE1-CD1 3.45Å; F172-F187 HydrophobicContact CE1-CD2 4.49Å; F172-F187 AromaticContact CE1-CE1 3.64Å; F172-F187 HydrophobicContact CE1-CE1 3.64Å; F172-F187 AromaticContact CE1-CG 3.88Å; F172-F187 HydrophobicContact CE1-CG 3.88Å; F172-F187 HydrophobicContact CE1-CZ 4.24Å; F172-F187 HydrophobicContact CZ-CD1 4.38Å; F172-F187 HydrophobicContact CZ-CE1 4.15Å; F172-F187 HydrophobicContact CZ-CZ 4.47Å |
| 173 | V | 89.3 | Confident | 89.5 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.3 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | E169 T175 A177 T184 F187 Q188 | E169-V173 WeakPolarHBondContact O-CB 3.2Å; E169-V173 VanDerWaalsContact O-CG2 3.26Å; E169-V173 WeakPolarHBondContact O-CG2 3.38Å; E169-V173 PolarHBondContact O-N 2.92Å; V173-T175 VanDerWaalsContact C-N 3.32Å; V173-T175 PolarHBondContact O-N 3.27Å; V173-A177 WeakPolarHBondContact O-CB 3.34Å; V173-A177 PolarHBondContact O-N 3.27Å; V173-T184 HydrophobicContact CG1-CG2 4.32Å; V173-F187 HydrophobicContact CG2-CB 4.26Å; V173-Q188 HydrophobicContact CG1-CG 3.51Å |
| 174 | S | 92.6 | Very high | 89.6 | Confident | 63 Ų | 63 | 35.4 Ų | 35.4 | 44% | 0.441 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64 | -38.1 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | R170 C171 F172 A177 R178 | R170-S174 VanDerWaalsContact O-CB 3.25Å; R170-S174 WeakPolarHBondContact O-CB 3.48Å; R170-S174 PolarHBondContact O-N 3.2Å; C171-S174 PolarHBondContact O-N 2.8Å; F172-S174 VanDerWaalsContact C-N 3.3Å; F172-S174 PolarHBondContact O-N 3.08Å; S174-A177 PolarHBondContact O-N 3.38Å; S174-R178 PolarHBondContact O-N 3.16Å; S174-R178 VanDerWaalsContact O-N 3.09Å |
| 175 | T | 90.3 | Very high | 90 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.6 | -39.6 | -179.1 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | M129 D132 C171 F172 V173 A177 R178 H179 | M129-T175 HydrophobicContact CB-CG2 4.37Å; M129-T175 HydrophobicContact CG-CG2 4.06Å; D132-T175 HydrophobicContact CB-CG2 4.26Å; C171-T175 WeakPolarHBondContact O-CB 2.98Å; C171-T175 PolarHBondContact O-N 2.71Å; C171-T175 PolarHBondContact O-OG1 2.92Å; F172-T175 PolarHBondContact O-N 3.38Å; F172-T175 VanDerWaalsContact O-N 3.13Å; V173-T175 VanDerWaalsContact C-N 3.32Å; V173-T175 PolarHBondContact O-N 3.27Å; T175-A177 VanDerWaalsContact C-N 3.33Å; T175-A177 PolarHBondContact O-N 3.36Å; T175-R178 WeakPolarHBondContact O-CB 3.32Å; T175-R178 PolarHBondContact O-N 3.24Å; T175-H179 PolarHBondContact O-CD2 2.78Å; T175-H179 VanDerWaalsContact O-CD2 3.24Å; T175-H179 PolarHBondContact O-N 2.04Å; T175-H179 VanDerWaalsContact O-N 3.08Å |
| 176 | V | 90.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 167.6 | 171 | 0 | 0 | 0 | 0 | 110.7 | M129 F172 R178 H179 C180 A183 F187 | M129-V176 HydrophobicContact SD-CG2 3.95Å; F172-V176 HydrophobicContact CD1-CG2 4.05Å; F172-V176 HydrophobicContact CE1-CG2 3.5Å; F172-V176 VanDerWaalsContact CE1-CG2 3.5Å; F172-V176 HydrophobicContact CE2-CG2 4.36Å; F172-V176 HydrophobicContact CZ-CG2 3.69Å; F172-V176 WeakPolarHBondContact O-CG2 3.49Å; F172-V176 PolarHBondContact O-N 3.31Å; V176-R178 PolarHBondContact O-N 3.45Å; V176-H179 PolarHBondContact O-N 3.46Å; V176-C180 HydrophobicContact CG1-CB 4.46Å; V176-C180 CarbonylContact O-C 3.09Å; V176-C180 VanDerWaalsContact O-CA 3.3Å; V176-C180 WeakPolarHBondContact O-CA 2.98Å; V176-C180 PolarHBondContact O-N 3.04Å; V176-A183 HydrophobicContact CG1-CB 3.99Å; V176-F187 HydrophobicContact CB-CD2 4.45Å; V176-F187 HydrophobicContact CG1-CD2 3.75Å; V176-F187 HydrophobicContact CG1-CE2 4.36Å; V176-F187 HydrophobicContact CG2-CD2 4Å; V176-F187 HydrophobicContact CG2-CE2 4.33Å; V176-F187 HydrophobicContact CG2-CG 4.3Å |
| 177 | A | 94.2 | Very high | 90.5 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.2 | -34.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V173 S174 T175 T184 | V173-A177 WeakPolarHBondContact O-CB 3.34Å; V173-A177 PolarHBondContact O-N 3.27Å; S174-A177 PolarHBondContact O-N 3.38Å; T175-A177 VanDerWaalsContact C-N 3.33Å; T175-A177 PolarHBondContact O-N 3.36Å; A177-T184 VanDerWaalsContact CA-OG1 3.29Å; A177-T184 WeakPolarHBondContact CA-OG1 3.46Å; A177-T184 HydrophobicContact CB-CG2 3.8Å |
| 178 | R | 95.1 | Very high | 90.6 | Very high | 146 Ų | 146 | 40.1 Ų | 40.1 | 55% | 0.551 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -70.3 | -40.4 | 178.2 | -165.9 | -170.7 | -55.8 | 129.9 | -1.7 | 112.7 | D132 S174 T175 V176 | D132-R178 IonicContact OD2-CZ 2.8Å; D132-R178 IonicContact OD2-NH1 3.37Å; D132-R178 PolarHBondContact OD2-NH1 2.97Å; S174-R178 PolarHBondContact O-N 3.16Å; S174-R178 VanDerWaalsContact O-N 3.09Å; T175-R178 WeakPolarHBondContact O-CB 3.32Å; T175-R178 PolarHBondContact O-N 3.24Å; V176-R178 PolarHBondContact O-N 3.45Å |
| 179 | H | 93.1 | Very high | 90.8 | Very high | 58 Ų | 58 | 44.1 Ų | 44.1 | 27% | 0.269 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -105.1 | -34.5 | -170.1 | -67.4 | -65.5 | 0 | 0 | 0 | 114.1 | C121 H125 M129 T175 V176 | C121-H179 PolarHBondContact SG-O 3.35Å; H125-H179 HydrophobicContact CB-CB 3.84Å; H125-H179 AromaticContact CE1-ND1 3.96Å; H125-H179 AromaticContact ND1-ND1 3.75Å; M129-H179 HydrophobicContact CE-CB 3.95Å; T175-H179 PolarHBondContact O-CD2 2.78Å; T175-H179 VanDerWaalsContact O-CD2 3.24Å; T175-H179 PolarHBondContact O-N 2.04Å; T175-H179 VanDerWaalsContact O-N 3.08Å; V176-H179 PolarHBondContact O-N 3.46Å |
| 180 | C | 92.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | trans | -135.7 | 63.6 | -176.2 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | C121 L122 M129 V176 S182 A183 | C121-C180 HydrophobicContact CB-CB 4.01Å; C121-C180 WeakPolarHBondContact CB-SG 3.1Å; C121-C180 PolarHBondContact O-SG 3.3Å; C121-C180 VanDerWaalsContact O-SG 3.37Å; C121-C180 WeakPolarHBondContact SG-CA 3.28Å; C121-C180 WeakPolarHBondContact SG-CB 3.31Å; C121-C180 CovalentContact SG-SG 2.04Å; C121-C180 PolarHBondContact SG-SG 3.47Å; L122-C180 HydrophobicContact CD2-CB 4.1Å; M129-C180 HydrophobicContact CE-CB 3.99Å; M129-C180 WeakPolarHBondContact CE-SG 3.26Å; V176-C180 HydrophobicContact CG1-CB 4.46Å; V176-C180 CarbonylContact O-C 3.09Å; V176-C180 VanDerWaalsContact O-CA 3.3Å; V176-C180 WeakPolarHBondContact O-CA 2.98Å; V176-C180 PolarHBondContact O-N 3.04Å; C180-S182 PolarHBondContact O-N 3.1Å; C180-S182 VanDerWaalsContact O-N 3.07Å; C180-A183 HydrophobicContact CB-CB 4.28Å; C180-A183 WeakPolarHBondContact O-CB 3.48Å; C180-A183 PolarHBondContact O-N 2.8Å | ||
| 181 | A | 93.7 | Very high | 90.8 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 60% | 0.595 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -51.6 | -36.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A183 T184 | A181-A183 PolarHBondContact O-N 3.32Å; A181-T184 WeakPolarHBondContact CA-OG1 3.42Å; A181-T184 VanDerWaalsContact O-CB 3.27Å; A181-T184 WeakPolarHBondContact O-CB 3.08Å; A181-T184 PolarHBondContact O-N 3.06Å; A181-T184 VanDerWaalsContact O-N 3.14Å; A181-T184 PolarHBondContact O-OG1 3.27Å |
| 182 | S | 93 | Very high | 90.7 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 56% | 0.559 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -62.2 | -27.8 | 177.5 | 53.7 | 0 | 0 | 0 | 0 | 114 | F118 C180 | F118-S182 WeakPolarHBondContact CE1-O 3.39Å; C180-S182 PolarHBondContact O-N 3.1Å; C180-S182 VanDerWaalsContact O-N 3.07Å |
| 183 | A | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -86 | -8.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | F118 L122 V176 C180 A181 S185 F186 F187 | F118-A183 HydrophobicContact CB-CB 3.85Å; F118-A183 HydrophobicContact CD1-CB 4.09Å; F118-A183 HydrophobicContact CD2-CB 3.72Å; F118-A183 HydrophobicContact CE2-CB 4.31Å; F118-A183 HydrophobicContact CG-CB 3.6Å; L122-A183 HydrophobicContact CD2-CB 4.29Å; V176-A183 HydrophobicContact CG1-CB 3.99Å; C180-A183 HydrophobicContact CB-CB 4.28Å; C180-A183 WeakPolarHBondContact O-CB 3.48Å; C180-A183 PolarHBondContact O-N 2.8Å; A181-A183 PolarHBondContact O-N 3.32Å; A183-S185 PolarHBondContact O-N 3.4Å; A183-F186 WeakPolarHBondContact O-CB 3.07Å; A183-F186 PolarHBondContact O-N 2.97Å; A183-F187 HydrophobicContact CB-CD2 4.1Å; A183-F187 HydrophobicContact CB-CE2 4.07Å; A183-F187 WeakPolarHBondContact O-CD2 3.06Å; A183-F187 PolarHBondContact O-N 3.3Å |
| 184 | T | 91.4 | Very high | 90.4 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -44.3 | -170.6 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | V173 A177 A181 F186 F187 Q188 | V173-T184 HydrophobicContact CG1-CG2 4.32Å; A177-T184 VanDerWaalsContact CA-OG1 3.29Å; A177-T184 WeakPolarHBondContact CA-OG1 3.46Å; A177-T184 HydrophobicContact CB-CG2 3.8Å; A181-T184 WeakPolarHBondContact CA-OG1 3.42Å; A181-T184 VanDerWaalsContact O-CB 3.27Å; A181-T184 WeakPolarHBondContact O-CB 3.08Å; A181-T184 PolarHBondContact O-N 3.06Å; A181-T184 VanDerWaalsContact O-N 3.14Å; A181-T184 PolarHBondContact O-OG1 3.27Å; T184-F186 VanDerWaalsContact C-N 3.31Å; T184-F186 PolarHBondContact O-N 3.24Å; T184-F187 PolarHBondContact O-N 3.01Å; T184-Q188 HydrophobicContact CG2-CG 4.17Å; T184-Q188 WeakPolarHBondContact O-CB 3.24Å; T184-Q188 VanDerWaalsContact O-CG 3.3Å; T184-Q188 WeakPolarHBondContact O-CG 3.31Å; T184-Q188 PolarHBondContact O-N 3.01Å |
| 185 | S | 91.1 | Very high | 90 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 52% | 0.524 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.5 | -40.7 | -178.8 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | A183 Q188 M189 | A183-S185 PolarHBondContact O-N 3.4Å; S185-Q188 PolarHBondContact O-N 3.35Å; S185-M189 WeakPolarHBondContact O-CB 3.21Å; S185-M189 PolarHBondContact O-N 3.42Å |
| 186 | F | 90 | Very high | 89.8 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 175.5 | 178.9 | -89.8 | 0 | 0 | 0 | 111.2 | F105 I106 L115 F118 A183 T184 M189 L190 | F105-F186 HydrophobicContact CD1-CZ 4.45Å; F105-F186 HydrophobicContact CE1-CD2 4.07Å; F105-F186 HydrophobicContact CE1-CE1 4.44Å; F105-F186 AromaticContact CE1-CE2 3.61Å; F105-F186 HydrophobicContact CE1-CE2 3.61Å; F105-F186 AromaticContact CE1-CZ 3.81Å; F105-F186 HydrophobicContact CE1-CZ 3.81Å; F105-F186 HydrophobicContact CZ-CD2 4.17Å; F105-F186 AromaticContact CZ-CE2 3.99Å; F105-F186 HydrophobicContact CZ-CE2 3.99Å; I106-F186 HydrophobicContact CG1-CZ 4.15Å; L115-F186 HydrophobicContact CD1-CE1 4.01Å; L115-F186 HydrophobicContact CD1-CE2 4.41Å; L115-F186 HydrophobicContact CD1-CZ 3.61Å; L115-F186 HydrophobicContact CD2-CD1 4.05Å; L115-F186 HydrophobicContact CD2-CE1 3.59Å; L115-F186 HydrophobicContact CD2-CZ 3.97Å; L115-F186 HydrophobicContact CG-CD1 4.45Å; L115-F186 HydrophobicContact CG-CE1 3.79Å; L115-F186 HydrophobicContact CG-CE2 4.11Å; L115-F186 HydrophobicContact CG-CZ 3.59Å; F118-F186 HydrophobicContact CE2-CB 4.02Å; F118-F186 HydrophobicContact CE2-CG 4.49Å; A183-F186 WeakPolarHBondContact O-CB 3.07Å; A183-F186 PolarHBondContact O-N 2.97Å; T184-F186 VanDerWaalsContact C-N 3.31Å; T184-F186 PolarHBondContact O-N 3.24Å; F186-M189 PolarHBondContact O-N 2.81Å; F186-L190 HydrophobicContact CE1-CD2 4.34Å; F186-L190 WeakPolarHBondContact O-CB 3.36Å; F186-L190 PolarHBondContact O-N 2.9Å |
| 187 | F | 89.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.9 | -28.3 | -178.3 | -73.7 | -73.1 | 0 | 0 | 0 | 113.7 | I56 L115 L122 F172 V173 V176 A183 T184 L190 S191 | I56-F187 HydrophobicContact CD1-CE1 4.26Å; I56-F187 HydrophobicContact CG2-CE1 4.32Å; I56-F187 HydrophobicContact CG2-CZ 4.17Å; L115-F187 HydrophobicContact CD2-CZ 4.27Å; L122-F187 HydrophobicContact CD1-CE2 3.84Å; L122-F187 HydrophobicContact CD1-CZ 3.98Å; L122-F187 HydrophobicContact CD2-CE2 3.78Å; L122-F187 HydrophobicContact CD2-CZ 4.29Å; L122-F187 HydrophobicContact CG-CE2 4.48Å; F172-F187 HydrophobicContact CD1-CD1 4.23Å; F172-F187 HydrophobicContact CE1-CB 4.44Å; F172-F187 AromaticContact CE1-CD1 3.45Å; F172-F187 HydrophobicContact CE1-CD1 3.45Å; F172-F187 VanDerWaalsContact CE1-CD1 3.45Å; F172-F187 HydrophobicContact CE1-CD2 4.49Å; F172-F187 AromaticContact CE1-CE1 3.64Å; F172-F187 HydrophobicContact CE1-CE1 3.64Å; F172-F187 AromaticContact CE1-CG 3.88Å; F172-F187 HydrophobicContact CE1-CG 3.88Å; F172-F187 HydrophobicContact CE1-CZ 4.24Å; F172-F187 HydrophobicContact CZ-CD1 4.38Å; F172-F187 HydrophobicContact CZ-CE1 4.15Å; F172-F187 HydrophobicContact CZ-CZ 4.47Å; V173-F187 HydrophobicContact CG2-CB 4.26Å; V176-F187 HydrophobicContact CB-CD2 4.45Å; V176-F187 HydrophobicContact CG1-CD2 3.75Å; V176-F187 HydrophobicContact CG1-CE2 4.36Å; V176-F187 HydrophobicContact CG2-CD2 4Å; V176-F187 HydrophobicContact CG2-CE2 4.33Å; V176-F187 HydrophobicContact CG2-CG 4.3Å; A183-F187 HydrophobicContact CB-CD2 4.1Å; A183-F187 HydrophobicContact CB-CE2 4.07Å; A183-F187 WeakPolarHBondContact O-CD2 3.06Å; A183-F187 PolarHBondContact O-N 3.3Å; T184-F187 PolarHBondContact O-N 3.01Å; F187-L190 HydrophobicContact CD1-CD2 4.03Å; F187-L190 HydrophobicContact CE1-CD2 4.26Å; F187-S191 VanDerWaalsContact O-CB 3.24Å; F187-S191 WeakPolarHBondContact O-CB 3.26Å; F187-S191 PolarHBondContact O-N 3.27Å |
| 188 | Q | 90.5 | Very high | 89 | Confident | 93 Ų | 93 | 38.7 Ų | 38.7 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 168.1 | -78.6 | 175.5 | -15.5 | 0 | 0 | 111 | V173 T184 S185 S191 Q192 | V173-Q188 HydrophobicContact CG1-CG 3.51Å; T184-Q188 HydrophobicContact CG2-CG 4.17Å; T184-Q188 WeakPolarHBondContact O-CB 3.24Å; T184-Q188 VanDerWaalsContact O-CG 3.3Å; T184-Q188 WeakPolarHBondContact O-CG 3.31Å; T184-Q188 PolarHBondContact O-N 3.01Å; S185-Q188 PolarHBondContact O-N 3.35Å; Q188-S191 PolarHBondContact O-N 2.74Å; Q188-Q192 WeakPolarHBondContact O-CB 3.36Å; Q188-Q192 VanDerWaalsContact O-CG 3.3Å; Q188-Q192 WeakPolarHBondContact O-CG 3.26Å; Q188-Q192 PolarHBondContact O-N 3.3Å |
| 189 | M | 88.8 | Confident | 88.5 | Confident | 85 Ų | 85 | 32.2 Ų | 32.2 | 42% | 0.419 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.8 | -170.8 | 173.2 | -67.6 | 0 | 0 | 111.6 | F105 S185 F186 S191 Q192 I193 | F105-M189 HydrophobicContact CD2-SD 4.44Å; F105-M189 HydrophobicContact CE2-CG 3.87Å; F105-M189 HydrophobicContact CE2-SD 3.38Å; F105-M189 WeakPolarHBondContact CE2-SD 3.34Å; F105-M189 HydrophobicContact CZ-CB 4.08Å; F105-M189 HydrophobicContact CZ-CG 3.8Å; F105-M189 HydrophobicContact CZ-SD 3.62Å; S185-M189 WeakPolarHBondContact O-CB 3.21Å; S185-M189 PolarHBondContact O-N 3.42Å; F186-M189 PolarHBondContact O-N 2.81Å; M189-S191 VanDerWaalsContact C-N 3.34Å; M189-S191 PolarHBondContact O-N 2.59Å; M189-Q192 WeakPolarHBondContact O-CB 3.34Å; M189-Q192 PolarHBondContact O-N 2.9Å; M189-I193 HydrophobicContact CG-CD1 4.09Å; M189-I193 WeakPolarHBondContact O-CG1 3.1Å; M189-I193 PolarHBondContact O-N 3.47Å |
| 190 | L | 87.2 | Confident | 88.1 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.7 | 178.1 | 59.5 | 0 | 0 | 0 | 112 | P52 I53 I56 P102 F105 I106 F186 F187 I193 S194 | P52-L190 HydrophobicContact CB-CD1 4.31Å; P52-L190 HydrophobicContact CG-CD1 4.37Å; I53-L190 HydrophobicContact CD1-CD2 4.49Å; I53-L190 HydrophobicContact CG1-CD2 3.67Å; I53-L190 HydrophobicContact CG1-CG 4.26Å; I56-L190 HydrophobicContact CD1-CD2 4.02Å; P102-L190 HydrophobicContact CB-CD1 3.92Å; F105-L190 HydrophobicContact CD1-CB 4.27Å; F105-L190 HydrophobicContact CD1-CD1 3.98Å; F105-L190 HydrophobicContact CE1-CB 4.08Å; I106-L190 HydrophobicContact CD1-CD1 3.79Å; I106-L190 HydrophobicContact CD1-CD2 3.92Å; I106-L190 HydrophobicContact CG1-CD1 4.07Å; I106-L190 HydrophobicContact CG1-CD2 4.32Å; F186-L190 HydrophobicContact CE1-CD2 4.34Å; F186-L190 WeakPolarHBondContact O-CB 3.36Å; F186-L190 PolarHBondContact O-N 2.9Å; F187-L190 HydrophobicContact CD1-CD2 4.03Å; F187-L190 HydrophobicContact CE1-CD2 4.26Å; L190-I193 PolarHBondContact O-N 3.22Å; L190-S194 VanDerWaalsContact O-CB 3.32Å; L190-S194 WeakPolarHBondContact O-CB 3.48Å; L190-S194 PolarHBondContact O-N 3.21Å |
| 191 | S | 86.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 174.6 | 167.5 | 0 | 0 | 0 | 0 | 111 | E169 F187 Q188 M189 I193 S194 R195 | E169-S191 WeakPolarHBondContact CB-OG 3.32Å; E169-S191 WeakPolarHBondContact OE2-CB 3.27Å; E169-S191 PolarHBondContact OE2-OG 3.34Å; F187-S191 VanDerWaalsContact O-CB 3.24Å; F187-S191 WeakPolarHBondContact O-CB 3.26Å; F187-S191 PolarHBondContact O-N 3.27Å; Q188-S191 PolarHBondContact O-N 2.74Å; M189-S191 VanDerWaalsContact C-N 3.34Å; M189-S191 PolarHBondContact O-N 2.59Å; S191-I193 PolarHBondContact O-N 2.94Å; S191-S194 WeakPolarHBondContact O-CB 3.12Å; S191-S194 PolarHBondContact O-N 2.93Å; S191-R195 VanDerWaalsContact O-CG 3.3Å; S191-R195 WeakPolarHBondContact O-CG 3.24Å; S191-R195 PolarHBondContact O-N 3.43Å; S191-R195 PolarHBondContact OG-NE 3.4Å; S191-R195 PolarHBondContact OG-NH2 2.94Å |
| 192 | Q | 87.7 | Confident | 87.1 | Confident | 76 Ų | 76 | 31.1 Ų | 31.1 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.1 | -51 | 176 | -79.1 | 177 | 18.6 | 0 | 0 | 111.8 | Q188 M189 S194 R195 A196 I222 | Q188-Q192 WeakPolarHBondContact O-CB 3.36Å; Q188-Q192 VanDerWaalsContact O-CG 3.3Å; Q188-Q192 WeakPolarHBondContact O-CG 3.26Å; Q188-Q192 PolarHBondContact O-N 3.3Å; M189-Q192 WeakPolarHBondContact O-CB 3.34Å; M189-Q192 PolarHBondContact O-N 2.9Å; Q192-S194 VanDerWaalsContact C-N 3.29Å; Q192-S194 PolarHBondContact O-N 3.43Å; Q192-R195 PolarHBondContact O-N 3.43Å; Q192-A196 WeakPolarHBondContact O-CB 3.46Å; Q192-A196 PolarHBondContact O-N 2.81Å; Q192-I222 HydrophobicContact CB-CD1 3.55Å; Q192-I222 HydrophobicContact CB-CG1 4.41Å; Q192-I222 HydrophobicContact CG-CD1 3.95Å; Q192-I222 HydrophobicContact CG-CG1 4.34Å; Q192-I222 WeakPolarHBondContact O-CD1 3.44Å |
| 193 | I | 86.2 | Confident | 86.7 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.051 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 180 | -65.8 | 167.4 | 0 | 0 | 0 | 110.8 | N101 P102 F105 M189 L190 S191 A196 S197 | N101-I193 HydrophobicContact CB-CG2 4.01Å; P102-I193 HydrophobicContact CG-CG2 4.21Å; F105-I193 HydrophobicContact CB-CD1 3.69Å; F105-I193 HydrophobicContact CD1-CD1 4.06Å; F105-I193 HydrophobicContact CD2-CD1 3.37Å; F105-I193 HydrophobicContact CE2-CD1 3.99Å; F105-I193 HydrophobicContact CG-CD1 3.41Å; F105-I193 VanDerWaalsContact CG-CD1 3.41Å; M189-I193 HydrophobicContact CG-CD1 4.09Å; M189-I193 WeakPolarHBondContact O-CG1 3.1Å; M189-I193 PolarHBondContact O-N 3.47Å; L190-I193 PolarHBondContact O-N 3.22Å; S191-I193 PolarHBondContact O-N 2.94Å; I193-A196 PolarHBondContact O-N 3.32Å; I193-S197 WeakPolarHBondContact O-CB 3.37Å; I193-S197 PolarHBondContact O-N 3.41Å; I193-S197 PolarHBondContact O-OG 3.25Å |
| 194 | S | 84.9 | Confident | 86.3 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 112.9 | Q165 E169 L190 S191 Q192 S197 L198 | Q165-S194 PolarHBondContact NE2-OG 3.23Å; E169-S194 WeakPolarHBondContact OE1-CB 3.37Å; E169-S194 PolarHBondContact OE1-OG 2.04Å; L190-S194 VanDerWaalsContact O-CB 3.32Å; L190-S194 WeakPolarHBondContact O-CB 3.48Å; L190-S194 PolarHBondContact O-N 3.21Å; S191-S194 WeakPolarHBondContact O-CB 3.12Å; S191-S194 PolarHBondContact O-N 2.93Å; Q192-S194 VanDerWaalsContact C-N 3.29Å; Q192-S194 PolarHBondContact O-N 3.43Å; S194-S197 PolarHBondContact O-N 2.8Å; S194-L198 WeakPolarHBondContact O-CB 3.41Å; S194-L198 PolarHBondContact O-N 3.08Å |
| 195 | R | 84.2 | Confident | 85.8 | Confident | 40 Ų | 40 | 33.6 Ų | 33.6 | 15% | 0.151 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.5 | -70.4 | -178.5 | -168.6 | 178.2 | 6.8 | 112.9 | D166 E169 S191 Q192 L198 L199 L220 | D166-R195 IonicContact OD1-CZ 3.99Å; D166-R195 IonicContact OD1-NE 2.84Å; D166-R195 IonicContact OD1-NH1 3.7Å; D166-R195 PolarHBondContact OD1-NH1 2.91Å; D166-R195 IonicContact OD1-NH2 3.97Å; E169-R195 WeakPolarHBondContact OE2-CD 3.38Å; E169-R195 WeakPolarHBondContact OE2-CG 3.47Å; E169-R195 IonicContact OE2-CZ 3.34Å; E169-R195 IonicContact OE2-NE 3.04Å; E169-R195 PolarHBondContact OE2-NE 2.89Å; E169-R195 IonicContact OE2-NH2 2.78Å; S191-R195 VanDerWaalsContact O-CG 3.3Å; S191-R195 WeakPolarHBondContact O-CG 3.24Å; S191-R195 PolarHBondContact O-N 3.43Å; S191-R195 PolarHBondContact OG-NE 3.4Å; S191-R195 PolarHBondContact OG-NH2 2.94Å; Q192-R195 PolarHBondContact O-N 3.43Å; R195-L198 PolarHBondContact O-N 3.12Å; R195-L199 WeakPolarHBondContact O-CB 3.3Å; R195-L199 PolarHBondContact O-N 3.28Å; R195-L220 HydrophobicContact CB-CB 4.06Å; R195-L220 HydrophobicContact CB-CD2 4.4Å; R195-L220 HydrophobicContact CG-CD2 3.96Å |
| 196 | A | 85.2 | Confident | 85.2 | Confident | 28 Ų | 28 | 32.6 Ų | 32.6 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -48.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q192 I193 L198 L199 E200 I222 | Q192-A196 WeakPolarHBondContact O-CB 3.46Å; Q192-A196 PolarHBondContact O-N 2.81Å; I193-A196 PolarHBondContact O-N 3.32Å; A196-L198 PolarHBondContact O-N 2.72Å; A196-L199 PolarHBondContact O-N 3.26Å; A196-E200 WeakPolarHBondContact O-CG 3.27Å; A196-E200 PolarHBondContact O-N 3.16Å; A196-I222 HydrophobicContact CB-CD1 4.07Å |
| 197 | S | 84.8 | Confident | 84.4 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 175.7 | -80.6 | 0 | 0 | 0 | 0 | 112.9 | L98 N101 I193 S194 L199 E200 M201 | L98-S197 WeakPolarHBondContact O-CB 3.23Å; L98-S197 PolarHBondContact O-OG 3.08Å; N101-S197 WeakPolarHBondContact CB-OG 3.34Å; N101-S197 PolarHBondContact ND2-OG 2.94Å; N101-S197 VanDerWaalsContact ND2-OG 3.15Å; I193-S197 WeakPolarHBondContact O-CB 3.37Å; I193-S197 PolarHBondContact O-N 3.41Å; I193-S197 PolarHBondContact O-OG 3.25Å; S194-S197 PolarHBondContact O-N 2.8Å; S197-L199 VanDerWaalsContact C-N 3.33Å; S197-L199 PolarHBondContact O-N 2.93Å; S197-E200 PolarHBondContact O-N 3.01Å; S197-M201 WeakPolarHBondContact O-CB 3.29Å; S197-M201 WeakPolarHBondContact O-CG 3.3Å; S197-M201 PolarHBondContact O-N 2.91Å |
| 198 | L | 83 | Confident | 82.9 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 179.1 | -178.9 | 61 | 0 | 0 | 0 | 111.5 | I161 Q165 S194 R195 A196 M201 W202 L220 L265 | I161-L198 HydrophobicContact CG2-CD1 4.46Å; I161-L198 HydrophobicContact CG2-CD2 4.28Å; Q165-L198 HydrophobicContact CB-CD2 4.04Å; Q165-L198 HydrophobicContact CG-CD2 3.89Å; S194-L198 WeakPolarHBondContact O-CB 3.41Å; S194-L198 PolarHBondContact O-N 3.08Å; R195-L198 PolarHBondContact O-N 3.12Å; A196-L198 PolarHBondContact O-N 2.72Å; L198-M201 PolarHBondContact O-N 2.87Å; L198-W202 PolarHBondContact O-N 3.44Å; L198-L220 HydrophobicContact CD2-CD1 3.91Å; L198-L220 HydrophobicContact CG-CD1 4.38Å; L198-L265 HydrophobicContact CD1-CD1 4.03Å |
| 199 | L | 84.2 | Confident | 81.3 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 177.5 | 179.2 | 61.3 | 0 | 0 | 0 | 111.8 | R195 A196 S197 M201 W202 Q203 L213 R221 | R195-L199 WeakPolarHBondContact O-CB 3.3Å; R195-L199 PolarHBondContact O-N 3.28Å; A196-L199 PolarHBondContact O-N 3.26Å; S197-L199 VanDerWaalsContact C-N 3.33Å; S197-L199 PolarHBondContact O-N 2.93Å; L199-M201 VanDerWaalsContact C-N 3.34Å; L199-W202 PolarHBondContact O-N 2.97Å; L199-Q203 WeakPolarHBondContact O-CG 3.36Å; L199-Q203 PolarHBondContact O-N 2.94Å; L199-L213 HydrophobicContact CD1-CD1 4.33Å; L199-L213 HydrophobicContact CD1-CD2 3.86Å; L199-R221 HydrophobicContact CD2-CB 3.81Å; L199-R221 HydrophobicContact CD2-CG 4.33Å |
| 200 | E | 84.7 | Confident | 79.7 | Confident | 88 Ų | 88 | 41.3 Ų | 41.3 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -38 | 177.6 | -72.8 | -179.9 | -166.1 | 0 | 0 | 111.8 | L98 A196 S197 W202 Q203 L204 | L98-E200 HydrophobicContact CD1-CB 3.7Å; L98-E200 HydrophobicContact CD2-CB 4.34Å; L98-E200 VanDerWaalsContact CD2-OE2 3.23Å; L98-E200 WeakPolarHBondContact CD2-OE2 3.42Å; A196-E200 WeakPolarHBondContact O-CG 3.27Å; A196-E200 PolarHBondContact O-N 3.16Å; S197-E200 PolarHBondContact O-N 3.01Å; E200-W202 VanDerWaalsContact C-N 3.34Å; E200-W202 PolarHBondContact O-N 3.32Å; E200-Q203 PolarHBondContact O-N 3.48Å; E200-L204 WeakPolarHBondContact O-CB 3.46Å; E200-L204 WeakPolarHBondContact O-CG 3.46Å; E200-L204 PolarHBondContact O-N 3.24Å |
| 201 | M | 83.4 | Confident | 78.4 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 173.5 | -74.1 | 170.3 | 65.2 | 0 | 0 | 111.5 | I95 L98 S197 L198 L199 L204 Y205 L265 A266 | I95-M201 HydrophobicContact CG2-CB 4.35Å; I95-M201 HydrophobicContact CG2-CE 3.61Å; I95-M201 HydrophobicContact CG2-CG 4.09Å; L98-M201 HydrophobicContact CB-CG 3.62Å; L98-M201 HydrophobicContact CB-SD 4.36Å; L98-M201 HydrophobicContact CD1-CG 3.94Å; L98-M201 HydrophobicContact CG-CG 4.48Å; S197-M201 WeakPolarHBondContact O-CB 3.29Å; S197-M201 WeakPolarHBondContact O-CG 3.3Å; S197-M201 PolarHBondContact O-N 2.91Å; L198-M201 PolarHBondContact O-N 2.87Å; L199-M201 VanDerWaalsContact C-N 3.34Å; M201-L204 PolarHBondContact O-N 3.24Å; M201-Y205 WeakPolarHBondContact O-CB 3.38Å; M201-Y205 PolarHBondContact O-N 3.08Å; M201-L265 HydrophobicContact CE-CB 4.28Å; M201-A266 HydrophobicContact CE-CB 3.67Å |
| 202 | W | 82.8 | Confident | 77.7 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.9 | -74.8 | 125.9 | 0 | 0 | 0 | 112.7 | L147 A153 M158 I161 L198 L199 E200 Y205 L206 L213 L265 | L147-W202 HydrophobicContact CD1-CH2 4.3Å; L147-W202 HydrophobicContact CD2-CH2 3.71Å; L147-W202 HydrophobicContact CD2-CZ2 4.48Å; A153-W202 HydrophobicContact CB-CH2 4.31Å; A153-W202 HydrophobicContact CB-CZ3 3.82Å; M158-W202 HydrophobicContact CB-CZ2 4.37Å; M158-W202 HydrophobicContact CG-CD2 3.86Å; M158-W202 HydrophobicContact CG-CE3 3.61Å; M158-W202 HydrophobicContact CG-CH2 3.51Å; M158-W202 HydrophobicContact CG-CZ2 3.74Å; M158-W202 HydrophobicContact CG-CZ3 3.44Å; M158-W202 VanDerWaalsContact CG-CZ3 3.44Å; M158-W202 HydrophobicContact SD-CD2 3.96Å; M158-W202 HydrophobicContact SD-CE3 3.5Å; M158-W202 HydrophobicContact SD-CH2 4.45Å; M158-W202 HydrophobicContact SD-CZ3 3.8Å; I161-W202 HydrophobicContact CD1-CH2 4.25Å; I161-W202 HydrophobicContact CD1-CZ2 3.85Å; I161-W202 HydrophobicContact CG2-CZ2 4.36Å; L198-W202 PolarHBondContact O-N 3.44Å; L199-W202 PolarHBondContact O-N 2.97Å; E200-W202 VanDerWaalsContact C-N 3.34Å; E200-W202 PolarHBondContact O-N 3.32Å; W202-Y205 HydrophobicContact CE3-CD1 4.29Å; W202-Y205 HydrophobicContact CZ3-CD1 4.25Å; W202-Y205 PolarHBondContact O-N 3.49Å; W202-L206 WeakPolarHBondContact O-CB 3.5Å; W202-L206 WeakPolarHBondContact O-CG 3.31Å; W202-L206 PolarHBondContact O-N 2.84Å; W202-L213 HydrophobicContact CB-CD2 3.59Å; W202-L213 HydrophobicContact CG-CD2 4.35Å; W202-L265 HydrophobicContact CH2-CD2 4.16Å; W202-L265 HydrophobicContact CZ2-CD2 4.02Å |
| 203 | Q | 84.3 | Confident | 77.3 | Confident | 43 Ų | 43 | 50 Ų | 50 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.5 | -73.5 | 169.2 | -3.6 | 0 | 0 | 111.8 | L199 E200 Y205 G207 L213 | L199-Q203 WeakPolarHBondContact O-CG 3.36Å; L199-Q203 PolarHBondContact O-N 2.94Å; E200-Q203 PolarHBondContact O-N 3.48Å; Q203-Y205 VanDerWaalsContact C-N 3.34Å; Q203-G207 CarbonylContact O-C 3.57Å; Q203-G207 WeakPolarHBondContact O-CA 3.39Å; Q203-G207 PolarHBondContact O-N 3.21Å; Q203-L213 HydrophobicContact CG-CD1 3.48Å; Q203-L213 VanDerWaalsContact CG-CD1 3.48Å |
| 204 | L | 83.3 | Confident | 77.1 | Confident | 65 Ų | 65 | 50 Ų | 50 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.7 | -76.6 | -172.7 | 0 | 0 | 0 | 111.8 | L91 K94 I95 L98 E200 M201 | L91-L204 HydrophobicContact CD1-CB 3.74Å; L91-L204 WeakPolarHBondContact CD1-O 3.49Å; K94-L204 HydrophobicContact CB-CD1 3.93Å; I95-L204 HydrophobicContact CG1-CB 4.12Å; I95-L204 HydrophobicContact CG1-CD1 4.46Å; L98-L204 HydrophobicContact CD1-CD1 3.48Å; L98-L204 VanDerWaalsContact CD1-CD1 3.48Å; L98-L204 HydrophobicContact CD1-CG 4.32Å; L98-L204 HydrophobicContact CG-CD1 4.5Å; E200-L204 WeakPolarHBondContact O-CB 3.46Å; E200-L204 WeakPolarHBondContact O-CG 3.46Å; E200-L204 PolarHBondContact O-N 3.24Å; M201-L204 PolarHBondContact O-N 3.24Å |
| 205 | Y | 79.3 | Confident | 77 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -43.2 | -179.1 | 179.8 | -93.3 | 0 | 0 | 0 | 113 | I95 A153 M201 W202 Q203 A269 Q273 | I95-Y205 HydrophobicContact CD1-CD2 4.41Å; A153-Y205 HydrophobicContact CB-CD1 4.22Å; A153-Y205 HydrophobicContact CB-CE1 3.42Å; A153-Y205 VanDerWaalsContact CB-CE1 3.42Å; M201-Y205 WeakPolarHBondContact O-CB 3.38Å; M201-Y205 PolarHBondContact O-N 3.08Å; W202-Y205 HydrophobicContact CE3-CD1 4.29Å; W202-Y205 HydrophobicContact CZ3-CD1 4.25Å; W202-Y205 PolarHBondContact O-N 3.49Å; Q203-Y205 VanDerWaalsContact C-N 3.34Å; Y205-A269 HydrophobicContact CD2-CB 3.87Å; Y205-A269 HydrophobicContact CE2-CB 4.2Å; Y205-Q273 HydrophobicContact CE2-CG 4.13Å |
| 206 | L | 79.3 | Confident | 77 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -80.1 | -18.9 | -179.6 | -65.5 | 174.7 | 0 | 0 | 0 | 113.3 | M158 W202 L213 | M158-L206 HydrophobicContact CE-CD1 4.13Å; M158-L206 HydrophobicContact CE-CD2 3.71Å; M158-L206 HydrophobicContact CE-CG 4.4Å; M158-L206 HydrophobicContact SD-CD1 3.76Å; M158-L206 HydrophobicContact SD-CD2 4.11Å; M158-L206 HydrophobicContact SD-CG 4.19Å; W202-L206 WeakPolarHBondContact O-CB 3.5Å; W202-L206 WeakPolarHBondContact O-CG 3.31Å; W202-L206 PolarHBondContact O-N 2.84Å; L206-L213 HydrophobicContact CD1-CG 4.09Å |
| 207 | G | 73.2 | Confident | 76.8 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | trans | 88.7 | 173.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q203 E209 | Q203-G207 CarbonylContact O-C 3.57Å; Q203-G207 WeakPolarHBondContact O-CA 3.39Å; Q203-G207 PolarHBondContact O-N 3.21Å; G207-E209 PolarHBondContact O-N 3.46Å | ||
| 208 | S | 57.6 | Low | 76.7 | Confident | 123 Ų | 123 | 59.9 Ų | 59.9 | 86% | 0.86 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -65.7 | -1.1 | -168.8 | 60.2 | 0 | 0 | 0 | 0 | 115.7 | Q210 | S208-Q210 VanDerWaalsContact C-N 3.26Å; S208-Q210 PolarHBondContact O-N 2.87Å |
| 209 | E | 57 | Low | 76.5 | Confident | 133 Ų | 133 | 67.2 Ų | 67.2 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | trans | -74.9 | 83.3 | 176.4 | -64.3 | -167.1 | 169.1 | 0 | 0 | 109.6 | G207 D211 D212 | G207-E209 PolarHBondContact O-N 3.46Å; E209-D211 PolarHBondContact O-N 2.82Å; E209-D211 VanDerWaalsContact O-N 3.16Å; E209-D212 PolarHBondContact O-N 3.48Å | ||
| 210 | Q | 55.4 | Low | 76 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -64.5 | -18.1 | -176.7 | -156.8 | 161.1 | 63.4 | 0 | 0 | 113.1 | S208 D212 L213 | S208-Q210 VanDerWaalsContact C-N 3.26Å; S208-Q210 PolarHBondContact O-N 2.87Å; Q210-D212 VanDerWaalsContact C-N 3.26Å; Q210-D212 PolarHBondContact O-N 3.13Å; Q210-L213 HydrophobicContact CG-CD1 4.38Å |
| 211 | D | 59.7 | Low | 75.5 | Confident | 161 Ų | 161 | 68.4 Ų | 68.4 | 86% | 0.861 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -74.3 | -14 | -179.7 | -67.3 | -35.7 | 0 | 0 | 0 | 113.3 | E209 | E209-D211 PolarHBondContact O-N 2.82Å; E209-D211 VanDerWaalsContact O-N 3.16Å |
| 212 | D | 70.9 | Confident | 74.7 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -86.7 | -8.1 | -179.7 | -74.6 | -17.2 | 0 | 0 | 0 | 114.1 | E209 Q210 P214 | E209-D212 PolarHBondContact O-N 3.48Å; Q210-D212 VanDerWaalsContact C-N 3.26Å; Q210-D212 PolarHBondContact O-N 3.13Å; D212-P214 WeakPolarHBondContact O-CD 3.19Å |
| 213 | L | 79.3 | Confident | 73.3 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -71.8 | 129.2 | 178.8 | -83.9 | 133.6 | 0 | 0 | 0 | 111.1 | L199 W202 Q203 L206 Q210 R215 C217 L218 | L199-L213 HydrophobicContact CD1-CD1 4.33Å; L199-L213 HydrophobicContact CD1-CD2 3.86Å; W202-L213 HydrophobicContact CB-CD2 3.59Å; W202-L213 HydrophobicContact CG-CD2 4.35Å; Q203-L213 HydrophobicContact CG-CD1 3.48Å; Q203-L213 VanDerWaalsContact CG-CD1 3.48Å; L206-L213 HydrophobicContact CD1-CG 4.09Å; Q210-L213 HydrophobicContact CG-CD1 4.38Å; L213-R215 PolarHBondContact O-N 2.9Å; L213-C217 HydrophobicContact CD2-CB 3.81Å; L213-L218 HydrophobicContact CB-CD2 3.96Å; L213-L218 HydrophobicContact CB-CG 4.16Å |
| 214 | P | 81.9 | Confident | 71.3 | Confident | 11 Ų | 11 | 88.2 Ų | 88.2 | 7% | 0.071 | 42% | 0.416 | C | S | . | . | trans | -52.7 | 142.5 | 171.8 | -25.4 | 33.4 | 0 | 0 | 0 | 111.5 | P155 M158 R159 D212 E216 C217 L218 | P155-P214 HydrophobicContact CB-CG 4.45Å; P155-P214 WeakPolarHBondContact O-CG 3.39Å; M158-P214 HydrophobicContact CB-CG 3.99Å; R159-P214 HydrophobicContact CB-CB 4.07Å; R159-P214 HydrophobicContact CB-CG 4.34Å; D212-P214 WeakPolarHBondContact O-CD 3.19Å; P214-E216 PolarHBondContact O-N 3.27Å; P214-C217 WeakPolarHBondContact O-CA 3.39Å; P214-C217 WeakPolarHBondContact O-CB 3.49Å; P214-C217 PolarHBondContact O-N 2.9Å; P214-L218 PolarHBondContact O-N 3.09Å; P214-L218 VanDerWaalsContact O-N 3.13Å | ||
| 215 | R | 84.1 | Confident | 68.8 | Low | 182 Ų | 182 | 94.1 Ų | 94.1 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -51.3 | -34.8 | -179.5 | -174.8 | -177.3 | -67.1 | -175.9 | -1 | 112.6 | L213 C217 L218 R219 | L213-R215 PolarHBondContact O-N 2.9Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-C217 PolarHBondContact O-N 2.84Å; R215-L218 PolarHBondContact O-N 3.4Å; R215-R219 WeakPolarHBondContact O-CG 3.37Å; R215-R219 PolarHBondContact O-N 3.37Å |
| 216 | E | 83 | Confident | 66.8 | Low | 43 Ų | 43 | 100.3 Ų | 100.3 | 20% | 0.201 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 176.7 | -63.9 | 81.9 | 174.9 | 0 | 0 | 112.5 | R159 C162 R163 P214 | R159-E216 WeakPolarHBondContact CD-OE1 3.24Å; R159-E216 HydrophobicContact CG-CB 4.31Å; R159-E216 HydrophobicContact CG-CG 3.88Å; R159-E216 WeakPolarHBondContact CG-OE2 3.48Å; R159-E216 IonicContact NE-OE1 3.28Å; R159-E216 IonicContact NE-OE2 3.21Å; R159-E216 PolarHBondContact NE-OE2 2.97Å; C162-E216 HydrophobicContact CB-CB 4.38Å; R163-E216 HydrophobicContact CB-CB 4.5Å; R163-E216 HydrophobicContact CB-CG 4.46Å; P214-E216 PolarHBondContact O-N 3.27Å |
| 217 | C | 82.2 | Confident | 64.9 | Low | 0 Ų | 0 | 100.1 Ų | 100.1 | 0% | 0 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -74.5 | -37.3 | 173.4 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | C162 L213 P214 R215 R219 L220 | C162-C217 HydrophobicContact CB-CB 3.88Å; C162-C217 WeakPolarHBondContact CB-SG 3.2Å; C162-C217 VanDerWaalsContact SG-CA 3.52Å; C162-C217 WeakPolarHBondContact SG-CB 3.13Å; C162-C217 CovalentContact SG-SG 2.04Å; C162-C217 PolarHBondContact SG-SG 3.37Å; L213-C217 HydrophobicContact CD2-CB 3.81Å; P214-C217 WeakPolarHBondContact O-CA 3.39Å; P214-C217 WeakPolarHBondContact O-CB 3.49Å; P214-C217 PolarHBondContact O-N 2.9Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-C217 PolarHBondContact O-N 2.84Å; C217-R219 PolarHBondContact O-N 2.97Å; C217-L220 WeakPolarHBondContact O-CB 3.38Å; C217-L220 WeakPolarHBondContact O-CG 3.39Å; C217-L220 PolarHBondContact O-N 2.74Å |
| 218 | L | 81.5 | Confident | 63.2 | Low | 60 Ų | 60 | 109.1 Ų | 109.1 | 31% | 0.314 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -27.9 | 175.8 | -65.5 | 176.6 | 0 | 0 | 0 | 112.8 | L213 P214 R215 L220 R221 | L213-L218 HydrophobicContact CB-CD2 3.96Å; L213-L218 HydrophobicContact CB-CG 4.16Å; P214-L218 PolarHBondContact O-N 3.09Å; P214-L218 VanDerWaalsContact O-N 3.13Å; R215-L218 PolarHBondContact O-N 3.4Å; L218-L220 PolarHBondContact O-N 3.44Å; L218-R221 WeakPolarHBondContact O-CB 3.42Å; L218-R221 PolarHBondContact O-N 3.41Å |
| 219 | R | 79.5 | Confident | 62.1 | Low | 156 Ų | 156 | 107.4 Ų | 107.4 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.5 | 171.9 | -73.4 | 175.4 | 177.7 | 169.1 | -0.5 | 113.6 | R215 C217 R221 | R215-R219 WeakPolarHBondContact O-CG 3.37Å; R215-R219 PolarHBondContact O-N 3.37Å; C217-R219 PolarHBondContact O-N 2.97Å; R219-R221 PolarHBondContact O-N 2.84Å |
| 220 | L | 74 | Confident | 61.4 | Low | 2 Ų | 2 | 102.6 Ų | 102.6 | 1% | 0.01 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -16.5 | 173.2 | -54.3 | -176.6 | 0 | 0 | 0 | 112 | C162 D166 R195 L198 C217 L218 I222 | C162-L220 HydrophobicContact CB-CD1 4.06Å; D166-L220 HydrophobicContact CB-CD2 3.84Å; R195-L220 HydrophobicContact CB-CB 4.06Å; R195-L220 HydrophobicContact CB-CD2 4.4Å; R195-L220 HydrophobicContact CG-CD2 3.96Å; L198-L220 HydrophobicContact CD2-CD1 3.91Å; L198-L220 HydrophobicContact CG-CD1 4.38Å; C217-L220 WeakPolarHBondContact O-CB 3.38Å; C217-L220 WeakPolarHBondContact O-CG 3.39Å; C217-L220 PolarHBondContact O-N 2.74Å; L218-L220 PolarHBondContact O-N 3.44Å; L220-I222 PolarHBondContact O-N 3.25Å |
| 221 | R | 73.5 | Confident | 60.7 | Low | 121 Ų | 121 | 102 Ų | 102 | 46% | 0.457 | 46% | 0.461 | S | S | . | . | trans | -62 | 105.9 | 176.9 | -173.1 | -179.1 | -84.1 | 168.5 | -9.5 | 108.8 | L199 L218 R219 K223 | L199-R221 HydrophobicContact CD2-CB 3.81Å; L199-R221 HydrophobicContact CD2-CG 4.33Å; L218-R221 WeakPolarHBondContact O-CB 3.42Å; L218-R221 PolarHBondContact O-N 3.41Å; R219-R221 PolarHBondContact O-N 2.84Å; R221-K223 PolarHBondContact O-N 3.31Å | ||
| 222 | I | 66 | Low | 59.7 | Low | 49 Ų | 49 | 102 Ų | 102 | 25% | 0.251 | 46% | 0.455 | S | S | . | . | trans | -61.1 | 128.6 | 172.2 | -56.8 | 166.8 | 0 | 0 | 0 | 107 | Q192 A196 L220 R224 | Q192-I222 HydrophobicContact CB-CD1 3.55Å; Q192-I222 HydrophobicContact CB-CG1 4.41Å; Q192-I222 HydrophobicContact CG-CD1 3.95Å; Q192-I222 HydrophobicContact CG-CG1 4.34Å; Q192-I222 WeakPolarHBondContact O-CD1 3.44Å; A196-I222 HydrophobicContact CB-CD1 4.07Å; L220-I222 PolarHBondContact O-N 3.25Å; I222-R224 VanDerWaalsContact C-N 3.27Å; I222-R224 PolarHBondContact O-N 2.97Å | ||
| 223 | K | 54.8 | Low | 58.1 | Low | 189 Ų | 189 | 103.6 Ų | 103.6 | 82% | 0.822 | 46% | 0.464 | S | S | * | . | trans | -60.5 | 100.2 | 162.7 | -79.4 | -174 | 177.5 | -177.6 | 0 | 106.3 | R221 Y225 | R221-K223 PolarHBondContact O-N 3.31Å; K223-Y225 VanDerWaalsContact C-N 3.32Å; K223-Y225 PolarHBondContact O-N 3.01Å | ||
| 224 | R | 41.6 | Very low | 56.1 | Low | 242 Ų | 242 | 104.7 Ų | 104.7 | 91% | 0.913 | 47% | 0.472 | S | S | * | . | trans | -28.1 | 82.6 | 179.7 | -161.5 | -168.8 | -76 | 177.6 | -4.1 | 113 | I222 | I222-R224 VanDerWaalsContact C-N 3.27Å; I222-R224 PolarHBondContact O-N 2.97Å | ||
| 225 | Y | 31.9 | Very low | 54 | Low | 189 Ų | 189 | 113.2 Ų | 113.2 | 74% | 0.741 | 51% | 0.508 | S | S | * | . | trans | -98.4 | 94.8 | 161.9 | -99.2 | -81.8 | 0 | 0 | 0 | 105.9 | K223 T227 | K223-Y225 VanDerWaalsContact C-N 3.32Å; K223-Y225 PolarHBondContact O-N 3.01Å; Y225-T227 PolarHBondContact O-N 2.7Å; Y225-T227 PolarHBondContact O-OG1 3.37Å | ||
| 226 | E | 36.6 | Very low | 51.4 | Low | 172 Ų | 172 | 113.4 Ų | 113.4 | 80% | 0.804 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 36.6 | 28.9 | 149.5 | -66.7 | 177.7 | 157.6 | 0 | 0 | 120.2 | R228 | E226-R228 PolarHBondContact O-N 2.04Š|
| 227 | T | 39.4 | Very low | 49.1 | Very low | 52 Ų | 52 | 116 Ų | 116 | 32% | 0.319 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -7 | 174.8 | -19.5 | 0 | 0 | 0 | 0 | 112.6 | Y225 A229 S230 | Y225-T227 PolarHBondContact O-N 2.7Å; Y225-T227 PolarHBondContact O-OG1 3.37Å; T227-A229 PolarHBondContact O-N 3.12Å; T227-A229 VanDerWaalsContact O-N 3.14Å; T227-S230 PolarHBondContact O-N 3.27Å; T227-S230 PolarHBondContact O-OG 3.01Å |
| 228 | R | 36.9 | Very low | 46.7 | Very low | 221 Ų | 221 | 121 Ų | 121 | 83% | 0.834 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -56.5 | -28.8 | 178.6 | -127.6 | -179.7 | -168.2 | 174 | 1.1 | 112.5 | E226 S230 | E226-R228 PolarHBondContact O-N 2.04Å; R228-S230 PolarHBondContact O-N 3.21Å |
| 229 | A | 35.7 | Very low | 44.1 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.1 | -17.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T227 | T227-A229 PolarHBondContact O-N 3.12Å; T227-A229 VanDerWaalsContact O-N 3.14Å |
| 230 | S | 40.7 | Very low | 41.8 | Very low | 32 Ų | 32 | 125.5 Ų | 125.5 | 22% | 0.224 | 61% | 0.605 | C | S | . | * | H | α-helix | trans | -101.7 | -14.8 | -171.4 | 67.3 | 0 | 0 | 0 | 0 | 114.6 | R108 T227 R228 | R108-S230 PolarHBondContact NH1-O 2.9Å; R108-S230 PolarHBondContact NH2-O 3.05Å; T227-S230 PolarHBondContact O-N 3.27Å; T227-S230 PolarHBondContact O-OG 3.01Å; R228-S230 PolarHBondContact O-N 3.21Å |
| 231 | F | 41.3 | Very low | 39.5 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 31% | 0.307 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -93.6 | -23.5 | -174.1 | -106.9 | -89.8 | 0 | 0 | 0 | 114.2 | N101 D233 S234 | N101-F231 HydrophobicContact CB-CE1 4.29Å; N101-F231 HydrophobicContact CB-CZ 3.78Å; N101-F231 WeakPolarHBondContact OD1-CE1 3.45Å; F231-D233 VanDerWaalsContact C-N 3.33Å; F231-D233 PolarHBondContact O-N 3.26Å; F231-S234 WeakPolarHBondContact O-CB 3.49Å; F231-S234 PolarHBondContact O-N 3.09Å; F231-S234 PolarHBondContact O-OG 2.9Å |
| 232 | E | 39.2 | Very low | 37.3 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -71.7 | -23.9 | -178.6 | -76.7 | -178.1 | 152.7 | 0 | 0 | 113.7 | S234 K235 | E232-S234 PolarHBondContact O-N 3.2Å; E232-S234 VanDerWaalsContact O-N 3.16Å; E232-K235 PolarHBondContact O-N 3.2Å |
| 233 | D | 36.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -70.4 | -8.4 | 174.3 | -81.4 | -15.3 | 0 | 0 | 0 | 114 | F231 K235 E236 | F231-D233 VanDerWaalsContact C-N 3.33Å; F231-D233 PolarHBondContact O-N 3.26Å; D233-K235 PolarHBondContact O-N 3.06Å; D233-K235 VanDerWaalsContact O-N 3.08Å; D233-E236 PolarHBondContact O-N 3.24Å |
| 234 | S | 38.7 | Very low | 33.9 | Very low | 30 Ų | 30 | 140.3 Ų | 140.3 | 21% | 0.21 | 69% | 0.688 | C | S | . | * | G | 310 helix | trans | -76.3 | 10.3 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 113.7 | R81 F231 E232 | R81-S234 PolarHBondContact NH2-O 3.22Å; F231-S234 WeakPolarHBondContact O-CB 3.49Å; F231-S234 PolarHBondContact O-N 3.09Å; F231-S234 PolarHBondContact O-OG 2.9Å; E232-S234 PolarHBondContact O-N 3.2Å; E232-S234 VanDerWaalsContact O-N 3.16Å |
| 235 | K | 36 | Very low | 33.3 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -88.3 | -10.8 | 175.1 | -151.8 | 176.5 | -176.6 | -177.4 | 0 | 113 | E232 D233 L237 | E232-K235 PolarHBondContact O-N 3.2Å; D233-K235 PolarHBondContact O-N 3.06Å; D233-K235 VanDerWaalsContact O-N 3.08Å; K235-L237 PolarHBondContact O-N 3.14Å |
| 236 | E | 30.9 | Very low | 33 | Very low | 186 Ų | 186 | 132 Ų | 132 | 87% | 0.869 | 69% | 0.688 | S | S | * | * | trans | -84.4 | 111.1 | 173.7 | -65.7 | -156.8 | 143.3 | 0 | 0 | 111.1 | D233 | D233-E236 PolarHBondContact O-N 3.24Š| ||
| 237 | L | 34.2 | Very low | 32.6 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 51% | 0.508 | 69% | 0.686 | S | S | . | * | trans | -132.1 | 88 | -166.3 | -173.1 | 89.2 | 0 | 0 | 0 | 109.3 | F82 K235 | F82-L237 HydrophobicContact CD1-CD1 4.05Å; F82-L237 HydrophobicContact CD1-CD2 4.38Å; F82-L237 HydrophobicContact CD1-CG 4.45Å; F82-L237 HydrophobicContact CE1-CD1 3.2Å; F82-L237 HydrophobicContact CE1-CD2 3.63Å; F82-L237 HydrophobicContact CE1-CG 3.38Å; F82-L237 HydrophobicContact CE2-CD1 4.3Å; F82-L237 HydrophobicContact CZ-CD1 3.32Å; F82-L237 HydrophobicContact CZ-CD2 4.44Å; F82-L237 HydrophobicContact CZ-CG 3.69Å; K235-L237 PolarHBondContact O-N 3.14Å | ||
| 238 | S | 31.5 | Very low | 32.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | 169.4 | 117 | 162.5 | 39.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 239 | E | 27.6 | Very low | 31.6 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | -163.7 | 156.7 | 74 | -78.9 | 178.8 | 148.9 | 0 | 0 | 111.3 | |||||
| 240 | P | 30.6 | Very low | 31.2 | Very low | 131 Ų | 131 | 127 Ų | 127 | 85% | 0.851 | 70% | 0.703 | S | S | * | * | trans | -92.9 | 113.5 | -178.4 | 33.8 | -27.1 | 0 | 0 | 0 | 111.8 | ||||
| 241 | T | 26.6 | Very low | 30.5 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | -93.8 | 120.8 | 169.3 | -30.3 | 0 | 0 | 0 | 0 | 110 | F243 | T241-F243 HydrophobicContact CG2-CD2 4.23Å; T241-F243 HydrophobicContact CG2-CE2 4.17Å | ||
| 242 | S | 25.9 | Very low | 29.7 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -76.9 | 129.8 | 174.2 | 69 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 243 | F | 28 | Very low | 28.9 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | -134.2 | 143 | 169.7 | -102.6 | -88.3 | 0 | 0 | 0 | 112.4 | T241 | T241-F243 HydrophobicContact CG2-CD2 4.23Å; T241-F243 HydrophobicContact CG2-CE2 4.17Å | ||
| 244 | R | 22.1 | Very low | 28.2 | Very low | 239 Ų | 239 | 134.5 Ų | 134.5 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -93 | 132.6 | -164.4 | -145.3 | 175.4 | -172.7 | 175.2 | 1 | 109.8 | ||||
| 245 | S | 28.1 | Very low | 27.6 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 137.4 | 179.7 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 246 | V | 25.4 | Very low | 27 | Very low | 145 Ų | 145 | 140 Ų | 140 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -115.2 | 134.6 | 167.3 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 247 | S | 29.6 | Very low | 26.6 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -94.8 | 136.9 | -176.5 | -33 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 248 | S | 27.7 | Very low | 26.3 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -150.7 | 162 | 162.6 | 66 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 249 | S | 27.2 | Very low | 26.2 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -120.2 | 154.4 | -150.4 | 173 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 250 | S | 27.5 | Very low | 26.7 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | trans | 107.9 | 117.3 | 145.2 | 103.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 251 | N | 25.7 | Very low | 27.3 | Very low | 167 Ų | 167 | 120.2 Ų | 120.2 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | 58.1 | 114.3 | 129.8 | -59.5 | -10.4 | 0 | 0 | 0 | 121.4 | |||||
| 252 | G | 24.7 | Very low | 27.9 | Very low | 80 Ų | 80 | 115.5 Ų | 115.5 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | trans | 168.6 | 122.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 253 | Q | 23.2 | Very low | 28.6 | Very low | 188 Ų | 188 | 111.7 Ų | 111.7 | 88% | 0.879 | 63% | 0.63 | S | S | * | * | trans | -55 | 165.3 | 174.7 | -65 | 158.6 | -31.5 | 0 | 0 | 112.2 | ||||
| 254 | T | 22 | Very low | 29.3 | Very low | 114 Ų | 114 | 104.3 Ų | 104.3 | 70% | 0.699 | 60% | 0.6 | S | S | * | * | cis | -174.2 | 143.8 | 33.3 | -15.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 255 | I | 25 | Very low | 30.3 | Very low | 138 Ų | 138 | 93.2 Ų | 93.2 | 71% | 0.708 | 56% | 0.558 | S | S | * | * | trans | 31.3 | 110.8 | 154.8 | -54.6 | 163.2 | 0 | 0 | 0 | 117.3 | ||||
| 256 | F | 23.2 | Very low | 31.1 | Very low | 197 Ų | 197 | 88 Ų | 88 | 86% | 0.864 | 52% | 0.522 | S | S | * | . | trans | -171.7 | 103.2 | 134.4 | -95.7 | -66.9 | 0 | 0 | 0 | 111.1 | ||||
| 257 | S | 23.4 | Very low | 31.7 | Very low | 90 Ų | 90 | 83.3 Ų | 83.3 | 63% | 0.629 | 49% | 0.491 | S | S | * | . | trans | -68.1 | 132.1 | 162.9 | 159.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 258 | V | 26.9 | Very low | 32 | Very low | 49 Ų | 49 | 78.2 Ų | 78.2 | 30% | 0.297 | 46% | 0.455 | S | S | . | . | trans | 167.8 | 136.3 | 135.7 | 154 | 0 | 0 | 0 | 0 | 113.9 | Q47 | Q47-V258 PolarHBondContact OE1-O 3.4Š| ||
| 259 | F | 30.4 | Very low | 32.5 | Very low | 110 Ų | 110 | 73.1 Ų | 73.1 | 48% | 0.482 | 42% | 0.42 | S | S | . | . | trans | -69.4 | 178.2 | -160.8 | -76.7 | -94.9 | 0 | 0 | 0 | 121.4 | Q47 L50 H261 | Q47-F259 HydrophobicContact CG-CD1 4.28Å; Q47-F259 VanDerWaalsContact NE2-CZ 3.28Å; L50-F259 WeakPolarHBondContact CD1-O 3.41Å; F259-H261 PolarHBondContact O-CD2 2.85Å; F259-H261 PolarHBondContact O-NE2 3.35Å | ||
| 260 | N | 38.1 | Very low | 33 | Very low | 34 Ų | 34 | 68.3 Ų | 68.3 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | trans | -91.6 | 80 | -154.8 | -143.3 | 40.7 | 0 | 0 | 0 | 116.4 | S49 L50 L264 | S49-N260 PolarHBondContact O-OD1 3.33Å; S49-N260 VanDerWaalsContact O-OD1 3.14Å; L50-N260 HydrophobicContact CD1-CB 4.47Å; L50-N260 HydrophobicContact CD2-CB 3.73Å; L50-N260 WeakPolarHBondContact CD2-O 3.29Å; L50-N260 WeakPolarHBondContact CD2-OD1 3.44Å; L50-N260 HydrophobicContact CG-CB 4.21Å; L50-N260 WeakPolarHBondContact CG-OD1 3.48Å; N260-L264 HydrophobicContact CB-CD1 4.35Å; N260-L264 WeakPolarHBondContact O-CB 3.25Å; N260-L264 WeakPolarHBondContact O-CD1 3.08Å; N260-L264 WeakPolarHBondContact O-CG 3.34Å; N260-L264 PolarHBondContact O-N 2.94Å | ||
| 261 | H | 42.4 | Very low | 33.5 | Very low | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.4 | -61.2 | -174.6 | -65.1 | -57.8 | 0 | 0 | 0 | 123.4 | L50 S141 V144 R145 F259 S263 L264 L265 | L50-H261 HydrophobicContact CD1-CB 4.37Å; S141-H261 VanDerWaalsContact C-CD2 3.46Å; S141-H261 WeakPolarHBondContact CA-CD2 3.1Å; S141-H261 VanDerWaalsContact CA-CG 3.47Å; S141-H261 WeakPolarHBondContact CB-CD2 3.43Å; S141-H261 PolarHBondContact O-CD2 3.42Å; S141-H261 PolarHBondContact O-CE1 3.42Å; S141-H261 PolarHBondContact O-ND1 2.95Å; S141-H261 PolarHBondContact O-NE2 3.47Å; V144-H261 HydrophobicContact CB-CB 3.59Å; V144-H261 WeakPolarHBondContact CB-ND1 3.3Å; V144-H261 HydrophobicContact CG1-CB 3.58Å; V144-H261 WeakPolarHBondContact CG1-ND1 3.42Å; V144-H261 WeakPolarHBondContact CG1-O 3.4Å; V144-H261 HydrophobicContact CG2-CB 4.05Å; R145-H261 VanDerWaalsContact CB-CE1 3.48Å; R145-H261 WeakPolarHBondContact CB-CE1 3.33Å; R145-H261 PolarHBondContact N-CE1 2.87Å; R145-H261 PolarHBondContact N-ND1 3.4Å; F259-H261 PolarHBondContact O-CD2 2.85Å; F259-H261 PolarHBondContact O-NE2 3.35Å; H261-S263 PolarHBondContact O-N 3.24Å; H261-L264 CarbonylContact O-C 3.34Å; H261-L264 WeakPolarHBondContact O-CA 3.41Å; H261-L264 VanDerWaalsContact O-CB 3.24Å; H261-L264 WeakPolarHBondContact O-CB 3.3Å; H261-L264 PolarHBondContact O-N 3.17Å; H261-L265 PolarHBondContact O-N 2.61Å |
| 262 | L | 40.3 | Very low | 34.1 | Very low | 22 Ų | 22 | 60.4 Ų | 60.4 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -37.2 | -172.2 | -103.1 | 131.2 | 0 | 0 | 0 | 116.4 | L50 T51 M140 L264 L265 A266 | L50-L262 VanDerWaalsContact O-CB 3.23Å; L50-L262 WeakPolarHBondContact O-CB 3.36Å; T51-L262 HydrophobicContact CG2-CD1 3.27Å; M140-L262 HydrophobicContact CE-CD1 4.2Å; L262-L264 PolarHBondContact O-N 3.1Å; L262-L265 HydrophobicContact CD2-CD1 4.35Å; L262-L265 HydrophobicContact CG-CD1 4.14Å; L262-L265 WeakPolarHBondContact O-CA 3.4Å; L262-L265 WeakPolarHBondContact O-CB 3.34Å; L262-L265 PolarHBondContact O-N 3.14Å; L262-A266 PolarHBondContact O-N 3.27Å; L262-A266 VanDerWaalsContact O-N 3.14Å |
| 263 | S | 40.7 | Very low | 35 | Very low | 32 Ų | 32 | 59.8 Ų | 59.8 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.8 | -27.1 | 165.8 | -60.4 | 0 | 0 | 0 | 0 | 111 | H261 M267 | H261-S263 PolarHBondContact O-N 3.24Å; S263-M267 WeakPolarHBondContact O-CA 3.4Å; S263-M267 WeakPolarHBondContact O-CB 3.49Å; S263-M267 WeakPolarHBondContact O-CG 3.08Å; S263-M267 PolarHBondContact O-N 3.45Å |
| 264 | L | 41 | Very low | 35.7 | Very low | 45 Ų | 45 | 52.3 Ų | 52.3 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.6 | -16.3 | 164.1 | -76.7 | 166.4 | 0 | 0 | 0 | 113.5 | L148 N260 H261 L262 A266 M267 G268 | L148-L264 HydrophobicContact CD1-CB 3.43Å; L148-L264 VanDerWaalsContact CD1-CB 3.43Å; L148-L264 HydrophobicContact CD1-CD1 3.58Å; L148-L264 HydrophobicContact CD1-CD2 3.96Å; L148-L264 HydrophobicContact CD1-CG 3.84Å; L148-L264 HydrophobicContact CD2-CB 4.06Å; L148-L264 HydrophobicContact CD2-CD2 4.04Å; L148-L264 VanDerWaalsContact CD2-O 3.31Å; L148-L264 WeakPolarHBondContact CD2-O 3.3Å; L148-L264 HydrophobicContact CG-CB 4.25Å; N260-L264 HydrophobicContact CB-CD1 4.35Å; N260-L264 WeakPolarHBondContact O-CB 3.25Å; N260-L264 WeakPolarHBondContact O-CD1 3.08Å; N260-L264 WeakPolarHBondContact O-CG 3.34Å; N260-L264 PolarHBondContact O-N 2.94Å; H261-L264 CarbonylContact O-C 3.34Å; H261-L264 WeakPolarHBondContact O-CA 3.41Å; H261-L264 VanDerWaalsContact O-CB 3.24Å; H261-L264 WeakPolarHBondContact O-CB 3.3Å; H261-L264 PolarHBondContact O-N 3.17Å; L262-L264 PolarHBondContact O-N 3.1Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-M267 HydrophobicContact CD2-CE 4.02Å; L264-M267 HydrophobicContact CG-CE 4.2Å; L264-G268 WeakPolarHBondContact O-CA 3.36Å; L264-G268 PolarHBondContact O-N 3.35Å |
| 265 | L | 44.3 | Very low | 36.2 | Very low | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69 | -43.8 | 167 | -86.9 | 167.1 | 0 | 0 | 0 | 108.9 | V144 L147 I161 L198 M201 W202 H261 L262 A269 | V144-L265 HydrophobicContact CB-CG 4.32Å; V144-L265 HydrophobicContact CG1-CD1 4.48Å; V144-L265 HydrophobicContact CG1-CD2 4.13Å; V144-L265 HydrophobicContact CG1-CG 3.7Å; V144-L265 HydrophobicContact CG2-CD1 3.57Å; V144-L265 HydrophobicContact CG2-CD2 4.04Å; V144-L265 HydrophobicContact CG2-CG 3.66Å; L147-L265 HydrophobicContact CD2-CD2 3.17Å; I161-L265 HydrophobicContact CD1-CD2 3.75Å; I161-L265 HydrophobicContact CG2-CD1 3.85Å; L198-L265 HydrophobicContact CD1-CD1 4.03Å; M201-L265 HydrophobicContact CE-CB 4.28Å; W202-L265 HydrophobicContact CH2-CD2 4.16Å; W202-L265 HydrophobicContact CZ2-CD2 4.02Å; H261-L265 PolarHBondContact O-N 2.61Å; L262-L265 HydrophobicContact CD2-CD1 4.35Å; L262-L265 HydrophobicContact CG-CD1 4.14Å; L262-L265 WeakPolarHBondContact O-CA 3.4Å; L262-L265 WeakPolarHBondContact O-CB 3.34Å; L262-L265 PolarHBondContact O-N 3.14Å; L265-A269 WeakPolarHBondContact O-CB 3.48Å; L265-A269 PolarHBondContact O-N 3.28Å |
| 266 | A | 44.3 | Very low | 36.8 | Very low | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.9 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I95 L96 M201 L262 L264 A270 | I95-A266 HydrophobicContact CG2-CB 4.13Å; L96-A266 HydrophobicContact CD2-CB 3.45Å; L96-A266 VanDerWaalsContact CD2-CB 3.45Å; L96-A266 HydrophobicContact CG-CB 4.16Å; M201-A266 HydrophobicContact CE-CB 3.67Å; L262-A266 PolarHBondContact O-N 3.27Å; L262-A266 VanDerWaalsContact O-N 3.14Å; L264-A266 VanDerWaalsContact C-N 3.34Å; A266-A270 WeakPolarHBondContact O-CB 3.43Å; A266-A270 PolarHBondContact O-N 2.71Å |
| 267 | M | 37.4 | Very low | 37.5 | Very low | 45 Ų | 45 | 42.1 Ų | 42.1 | 22% | 0.222 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.7 | -33.6 | 174.8 | -70.3 | -169 | -62 | 0 | 0 | 111.2 | L96 S263 L264 A270 V271 | L96-M267 HydrophobicContact CD2-CG 3.9Å; S263-M267 WeakPolarHBondContact O-CA 3.4Å; S263-M267 WeakPolarHBondContact O-CB 3.49Å; S263-M267 WeakPolarHBondContact O-CG 3.08Å; S263-M267 PolarHBondContact O-N 3.45Å; L264-M267 HydrophobicContact CD2-CE 4.02Å; L264-M267 HydrophobicContact CG-CE 4.2Å; M267-A270 CarbonylContact O-C 3.11Å; M267-A270 WeakPolarHBondContact O-CB 3.32Å; M267-A270 PolarHBondContact O-N 3.23Å; M267-V271 WeakPolarHBondContact O-CB 3.25Å; M267-V271 WeakPolarHBondContact O-CG2 3.41Å; M267-V271 PolarHBondContact O-N 2.7Å |
| 268 | G | 36.6 | Very low | 38.3 | Very low | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -54.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | L264 A270 V271 L272 | L264-G268 WeakPolarHBondContact O-CA 3.36Å; L264-G268 PolarHBondContact O-N 3.35Å; G268-A270 PolarHBondContact O-N 2.86Å; G268-V271 PolarHBondContact O-N 2.89Å; G268-V271 VanDerWaalsContact O-N 3.16Å; G268-L272 WeakPolarHBondContact O-CA 3.29Å; G268-L272 WeakPolarHBondContact O-CB 3.02Å; G268-L272 WeakPolarHBondContact O-CD1 3.3Å; G268-L272 WeakPolarHBondContact O-CG 3.37Å; G268-L272 PolarHBondContact O-N 3.14Å |
| 269 | A | 39.2 | Very low | 38.9 | Very low | 8 Ų | 8 | 38.8 Ų | 38.8 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.3 | -39.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I95 Y205 L265 Q273 | I95-A269 HydrophobicContact CD1-CB 4.21Å; I95-A269 HydrophobicContact CG2-CB 4.13Å; Y205-A269 HydrophobicContact CD2-CB 3.87Å; Y205-A269 HydrophobicContact CE2-CB 4.2Å; L265-A269 WeakPolarHBondContact O-CB 3.48Å; L265-A269 PolarHBondContact O-N 3.28Å; A269-Q273 WeakPolarHBondContact O-CG 3.27Å; A269-Q273 PolarHBondContact O-N 2.9Å; A269-Q273 VanDerWaalsContact O-N 3.1Å |
| 270 | A | 37.4 | Very low | 39.5 | Very low | 11 Ų | 11 | 34.4 Ų | 34.4 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P92 L96 A266 M267 G268 A274 | P92-A270 HydrophobicContact CB-CB 3.64Å; P92-A270 HydrophobicContact CG-CB 4.34Å; L96-A270 HydrophobicContact CD1-CB 4.33Å; A266-A270 WeakPolarHBondContact O-CB 3.43Å; A266-A270 PolarHBondContact O-N 2.71Å; M267-A270 CarbonylContact O-C 3.11Å; M267-A270 WeakPolarHBondContact O-CB 3.32Å; M267-A270 PolarHBondContact O-N 3.23Å; G268-A270 PolarHBondContact O-N 2.86Å; A270-A274 VanDerWaalsContact O-CB 3.29Å; A270-A274 WeakPolarHBondContact O-CB 3.45Å; A270-A274 PolarHBondContact O-N 3.27Å; A270-A274 VanDerWaalsContact O-N 3.11Å |
| 271 | V | 36.5 | Very low | 39.6 | Very low | 76 Ų | 76 | 34.4 Ų | 34.4 | 46% | 0.461 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -73 | -37.1 | 179.6 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | M267 G268 Q273 A274 L275 | M267-V271 WeakPolarHBondContact O-CB 3.25Å; M267-V271 WeakPolarHBondContact O-CG2 3.41Å; M267-V271 PolarHBondContact O-N 2.7Å; G268-V271 PolarHBondContact O-N 2.89Å; G268-V271 VanDerWaalsContact O-N 3.16Å; V271-Q273 VanDerWaalsContact C-N 3.34Å; V271-A274 CarbonylContact O-C 3.55Å; V271-A274 PolarHBondContact O-N 3.29Å; V271-A274 VanDerWaalsContact O-N 3.08Å; V271-L275 HydrophobicContact CG1-CD1 4.2Å; V271-L275 PolarHBondContact O-N 3.31Å; V271-L275 VanDerWaalsContact O-N 3.07Å |
| 272 | L | 38.4 | Very low | 39.4 | Very low | 18 Ų | 18 | 36.7 Ų | 36.7 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 174.7 | -77.7 | 162.6 | 0 | 0 | 0 | 111.9 | R151 G268 A274 | R151-L272 HydrophobicContact CB-CD2 4.09Å; R151-L272 WeakPolarHBondContact O-CD2 3.43Å; G268-L272 WeakPolarHBondContact O-CA 3.29Å; G268-L272 WeakPolarHBondContact O-CB 3.02Å; G268-L272 WeakPolarHBondContact O-CD1 3.3Å; G268-L272 WeakPolarHBondContact O-CG 3.37Å; G268-L272 PolarHBondContact O-N 3.14Å; L272-A274 VanDerWaalsContact C-N 3.31Å |
| 273 | Q | 43.5 | Very low | 39.3 | Very low | 68 Ų | 68 | 37.8 Ų | 37.8 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -80.4 | -15.1 | 174.5 | -70.7 | -178.9 | -10.5 | 0 | 0 | 112.9 | P92 Y205 A269 V271 | P92-Q273 HydrophobicContact CG-CB 4.45Å; Y205-Q273 HydrophobicContact CE2-CG 4.13Å; A269-Q273 WeakPolarHBondContact O-CG 3.27Å; A269-Q273 PolarHBondContact O-N 2.9Å; A269-Q273 VanDerWaalsContact O-N 3.1Å; V271-Q273 VanDerWaalsContact C-N 3.34Å |
| 274 | A | 38.8 | Very low | 39.2 | Very low | 31 Ų | 31 | 38.3 Ų | 38.3 | 26% | 0.256 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -89.2 | -10.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K21 A270 V271 L272 | K21-A274 HydrophobicContact CD-CB 3.86Å; K21-A274 WeakPolarHBondContact CE-O 3.48Å; K21-A274 HydrophobicContact CG-CB 4.09Å; K21-A274 PolarHBondContact NZ-O 3.07Å; A270-A274 VanDerWaalsContact O-CB 3.29Å; A270-A274 WeakPolarHBondContact O-CB 3.45Å; A270-A274 PolarHBondContact O-N 3.27Å; A270-A274 VanDerWaalsContact O-N 3.11Å; V271-A274 CarbonylContact O-C 3.55Å; V271-A274 PolarHBondContact O-N 3.29Å; V271-A274 VanDerWaalsContact O-N 3.08Å; L272-A274 VanDerWaalsContact C-N 3.31Å |
| 275 | L | 32.6 | Very low | 39 | Very low | 149 Ų | 149 | 37.7 Ų | 37.7 | 78% | 0.78 | 21% | 0.213 | S | C | * | . | trans | -100 | 0 | 172.2 | -72.2 | 169.9 | 0 | 0 | 0 | 110.3 | V271 | V271-L275 HydrophobicContact CG1-CD1 4.2Å; V271-L275 PolarHBondContact O-N 3.31Å; V271-L275 VanDerWaalsContact O-N 3.07Å |
Retrieved 275 of 275 residues in 1900.9 ms
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